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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/CTL-539e88fe/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/CTL-539e88fe/inputs/seq.fa: 1 curr_seq: _ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACCAAUUGGGCAUCUAGCUGUAAAGGCCGCCUACCGAAUGGACGUGUUGCUCAACGUUAAGGCAGCAUAUGCGAUUCUAAUCUCGAUCAUAAGCCUUCAUUC 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 102 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: 515 n_atoms_counter: 515 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 1 Temperature: 0.950000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 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: 1 Temperature: 1.300000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -415.493045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.493045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.493045 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.000 local terms energy: -397.226431 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -92.149 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -85.667 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -540.152822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.152822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.152822 (E_RNA) where: Base-Base interactions energy: -231.192 where: short stacking energy: -223.206 Base-Backbone interact. energy: 0.305 local terms energy: -309.265585 where: bonds (distance) C4'-P energy: -72.780 bonds (distance) P-C4' energy: -68.095 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -46.810 tors. eta vs tors. theta energy: -52.778 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -476.412321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.412321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.412321 (E_RNA) where: Base-Base interactions energy: -204.203 where: short stacking energy: -188.130 Base-Backbone interact. energy: -0.597 local terms energy: -271.612236 where: bonds (distance) C4'-P energy: -65.466 bonds (distance) P-C4' energy: -60.583 flat angles C4'-P-C4' energy: -65.946 flat angles P-C4'-P energy: -46.526 tors. eta vs tors. theta energy: -33.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -471.545547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.545547 (E_RNA) where: Base-Base interactions energy: -194.756 where: short stacking energy: -194.466 Base-Backbone interact. energy: -0.170 local terms energy: -276.619361 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -61.813 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -46.436 tors. eta vs tors. theta energy: -45.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -428.623872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.623872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.623872 (E_RNA) where: Base-Base interactions energy: -178.139 where: short stacking energy: -174.449 Base-Backbone interact. energy: -0.081 local terms energy: -250.403682 where: bonds (distance) C4'-P energy: -52.166 bonds (distance) P-C4' energy: -57.993 flat angles C4'-P-C4' energy: -66.141 flat angles P-C4'-P energy: -31.795 tors. eta vs tors. theta energy: -42.310 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -421.364194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.364194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.364194 (E_RNA) where: Base-Base interactions energy: -26.495 where: short stacking energy: -26.495 Base-Backbone interact. energy: -0.000 local terms energy: -394.868971 where: bonds (distance) C4'-P energy: -97.267 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -75.146 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -45.550 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -421.089161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.089161 (E_RNA) where: Base-Base interactions energy: -28.313 where: short stacking energy: -28.313 Base-Backbone interact. energy: -0.000 local terms energy: -392.776392 where: bonds (distance) C4'-P energy: -96.062 bonds (distance) P-C4' energy: -91.184 flat angles C4'-P-C4' energy: -74.418 flat angles P-C4'-P energy: -85.339 tors. eta vs tors. theta energy: -45.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -420.806150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.806150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.806150 (E_RNA) where: Base-Base interactions energy: -28.309 where: short stacking energy: -28.309 Base-Backbone interact. energy: -0.000 local terms energy: -392.496714 where: bonds (distance) C4'-P energy: -96.062 bonds (distance) P-C4' energy: -91.184 flat angles C4'-P-C4' energy: -74.223 flat angles P-C4'-P energy: -85.254 tors. eta vs tors. theta energy: -45.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -423.510584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.510584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.510584 (E_RNA) where: Base-Base interactions energy: -34.957 where: short stacking energy: -34.957 Base-Backbone interact. energy: -0.000 local terms energy: -388.553187 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -90.431 flat angles C4'-P-C4' energy: -74.334 flat angles P-C4'-P energy: -84.248 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -422.688659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.688659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.688659 (E_RNA) where: Base-Base interactions energy: -39.947 where: short stacking energy: -39.947 Base-Backbone interact. energy: -0.000 local terms energy: -382.741520 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -87.373 flat angles C4'-P-C4' energy: -74.855 flat angles P-C4'-P energy: -83.731 tors. eta vs tors. theta energy: -46.605 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -421.683706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.683706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.683706 (E_RNA) where: Base-Base interactions energy: -31.859 where: short stacking energy: -31.859 Base-Backbone interact. energy: -0.000 local terms energy: -389.824519 where: bonds (distance) C4'-P energy: -94.701 bonds (distance) P-C4' energy: -90.588 flat angles C4'-P-C4' energy: -73.530 flat angles P-C4'-P energy: -84.917 tors. eta vs tors. theta energy: -46.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -566.031922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.031922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.031922 (E_RNA) where: Base-Base interactions energy: -262.490 where: short stacking energy: -249.416 Base-Backbone interact. energy: -0.089 local terms energy: -303.452017 where: bonds (distance) C4'-P energy: -67.581 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -33.223 tors. eta vs tors. theta energy: -62.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -587.334828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.334828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.334828 (E_RNA) where: Base-Base interactions energy: -289.700 where: short stacking energy: -242.051 Base-Backbone interact. energy: -1.150 local terms energy: -296.484879 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -64.395 flat angles C4'-P-C4' energy: -64.278 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -61.275 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -467.543434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.543434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.543434 (E_RNA) where: Base-Base interactions energy: -203.143 where: short stacking energy: -177.392 Base-Backbone interact. energy: -2.351 local terms energy: -262.049716 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -58.956 flat angles C4'-P-C4' energy: -62.266 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -36.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -498.530652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.530652 (E_RNA) where: Base-Base interactions energy: -258.323 where: short stacking energy: -143.798 Base-Backbone interact. energy: 0.445 local terms energy: -240.653255 where: bonds (distance) C4'-P energy: -71.262 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -418.928715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.928715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.928715 (E_RNA) where: Base-Base interactions energy: -189.679 where: short stacking energy: -144.181 Base-Backbone interact. energy: -0.769 local terms energy: -228.480872 where: bonds (distance) C4'-P energy: -62.058 bonds (distance) P-C4' energy: -57.043 flat angles C4'-P-C4' energy: -55.892 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -477.807773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.807773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.807773 (E_RNA) where: Base-Base interactions energy: -251.653 where: short stacking energy: -155.082 Base-Backbone interact. energy: 0.182 local terms energy: -226.337035 where: bonds (distance) C4'-P energy: -58.077 bonds (distance) P-C4' energy: -61.080 flat angles C4'-P-C4' energy: -54.695 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -334.538005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.538005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.538005 (E_RNA) where: Base-Base interactions energy: -143.988 where: short stacking energy: -112.495 Base-Backbone interact. energy: -2.131 local terms energy: -188.418445 where: bonds (distance) C4'-P energy: -58.452 bonds (distance) P-C4' energy: -57.431 flat angles C4'-P-C4' energy: -42.353 flat angles P-C4'-P energy: -29.983 tors. eta vs tors. theta energy: -0.200 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -352.215532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.215532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.215532 (E_RNA) where: Base-Base interactions energy: -137.505 where: short stacking energy: -97.348 Base-Backbone interact. energy: 0.184 local terms energy: -214.895094 where: bonds (distance) C4'-P energy: -68.725 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -41.218 flat angles P-C4'-P energy: -31.478 tors. eta vs tors. theta energy: -12.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -290.979878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.979878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.979878 (E_RNA) where: Base-Base interactions energy: -110.901 where: short stacking energy: -99.768 Base-Backbone interact. energy: 0.197 local terms energy: -180.276391 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -45.350 flat angles C4'-P-C4' energy: -53.565 flat angles P-C4'-P energy: -24.169 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -258.153765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.153765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.153765 (E_RNA) where: Base-Base interactions energy: -86.884 where: short stacking energy: -78.920 Base-Backbone interact. energy: -1.134 local terms energy: -170.136239 where: bonds (distance) C4'-P energy: -47.057 bonds (distance) P-C4' energy: -71.217 flat angles C4'-P-C4' energy: -32.790 flat angles P-C4'-P energy: -23.392 tors. eta vs tors. theta energy: 4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -573.042245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.042245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.042245 (E_RNA) where: Base-Base interactions energy: -290.517 where: short stacking energy: -233.275 Base-Backbone interact. energy: -0.377 local terms energy: -282.147668 where: bonds (distance) C4'-P energy: -65.579 bonds (distance) P-C4' energy: -63.763 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -43.586 tors. eta vs tors. theta energy: -42.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -552.416262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.416262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.416262 (E_RNA) where: Base-Base interactions energy: -267.854 where: short stacking energy: -216.152 Base-Backbone interact. energy: -1.544 local terms energy: -283.017971 where: bonds (distance) C4'-P energy: -61.147 bonds (distance) P-C4' energy: -68.287 flat angles C4'-P-C4' energy: -56.898 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -56.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -581.625452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.625452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.625452 (E_RNA) where: Base-Base interactions energy: -312.731 where: short stacking energy: -207.193 Base-Backbone interact. energy: -0.804 local terms energy: -268.090352 where: bonds (distance) C4'-P energy: -58.992 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -28.382 tors. eta vs tors. theta energy: -45.672 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -471.577663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.577663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.577663 (E_RNA) where: Base-Base interactions energy: -249.934 where: short stacking energy: -140.371 Base-Backbone interact. energy: -1.310 local terms energy: -220.333289 where: bonds (distance) C4'-P energy: -64.997 bonds (distance) P-C4' energy: -51.920 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -539.856697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.856697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.856697 (E_RNA) where: Base-Base interactions energy: -296.961 where: short stacking energy: -190.143 Base-Backbone interact. energy: 0.234 local terms energy: -243.130278 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -55.377 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -35.433 tors. eta vs tors. theta energy: -30.339 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -432.593422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.593422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.593422 (E_RNA) where: Base-Base interactions energy: -206.032 where: short stacking energy: -153.721 Base-Backbone interact. energy: 0.657 local terms energy: -227.217996 where: bonds (distance) C4'-P energy: -52.625 bonds (distance) P-C4' energy: -53.562 flat angles C4'-P-C4' energy: -55.385 flat angles P-C4'-P energy: -32.238 tors. eta vs tors. theta energy: -33.409 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -337.941676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.941676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.941676 (E_RNA) where: Base-Base interactions energy: -134.734 where: short stacking energy: -120.034 Base-Backbone interact. energy: -1.636 local terms energy: -201.572526 where: bonds (distance) C4'-P energy: -51.635 bonds (distance) P-C4' energy: -61.866 flat angles C4'-P-C4' energy: -50.013 flat angles P-C4'-P energy: -24.144 tors. eta vs tors. theta energy: -13.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -328.084265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.084265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.084265 (E_RNA) where: Base-Base interactions energy: -135.392 where: short stacking energy: -82.637 Base-Backbone interact. energy: 2.243 local terms energy: -194.935467 where: bonds (distance) C4'-P energy: -48.513 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -47.269 flat angles P-C4'-P energy: -32.986 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -324.592202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.592202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.592202 (E_RNA) where: Base-Base interactions energy: -129.948 where: short stacking energy: -100.014 Base-Backbone interact. energy: 0.372 local terms energy: -195.016388 where: bonds (distance) C4'-P energy: -55.376 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -39.675 flat angles P-C4'-P energy: -30.978 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -309.251826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.251826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.251826 (E_RNA) where: Base-Base interactions energy: -124.262 where: short stacking energy: -117.188 Base-Backbone interact. energy: -0.692 local terms energy: -184.298100 where: bonds (distance) C4'-P energy: -52.134 bonds (distance) P-C4' energy: -62.790 flat angles C4'-P-C4' energy: -42.601 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: 2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -590.172772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.172772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.172772 (E_RNA) where: Base-Base interactions energy: -280.962 where: short stacking energy: -232.749 Base-Backbone interact. energy: 0.298 local terms energy: -309.509429 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -66.925 flat angles P-C4'-P energy: -50.728 tors. eta vs tors. theta energy: -55.447 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: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -708.816851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.816851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.816851 (E_RNA) where: Base-Base interactions energy: -434.475 where: short stacking energy: -215.563 Base-Backbone interact. energy: 1.653 local terms energy: -275.994979 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -69.926 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -38.974 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: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -581.381178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.381178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.381178 (E_RNA) where: Base-Base interactions energy: -334.662 where: short stacking energy: -202.868 Base-Backbone interact. energy: -0.979 local terms energy: -245.739486 where: bonds (distance) C4'-P energy: -53.509 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -68.061 flat angles P-C4'-P energy: -42.395 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: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -586.905111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.905111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.905111 (E_RNA) where: Base-Base interactions energy: -329.188 where: short stacking energy: -197.547 Base-Backbone interact. energy: -1.412 local terms energy: -256.305824 where: bonds (distance) C4'-P energy: -56.756 bonds (distance) P-C4' energy: -52.509 flat angles C4'-P-C4' energy: -62.731 flat angles P-C4'-P energy: -40.802 tors. eta vs tors. theta energy: -43.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -527.422722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.422722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.422722 (E_RNA) where: Base-Base interactions energy: -279.280 where: short stacking energy: -159.350 Base-Backbone interact. energy: -1.853 local terms energy: -246.289174 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -52.029 flat angles P-C4'-P energy: -39.932 tors. eta vs tors. theta energy: -24.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -457.636120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.636120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.636120 (E_RNA) where: Base-Base interactions energy: -237.961 where: short stacking energy: -157.308 Base-Backbone interact. energy: -0.605 local terms energy: -219.070140 where: bonds (distance) C4'-P energy: -54.566 bonds (distance) P-C4' energy: -56.198 flat angles C4'-P-C4' energy: -51.042 flat angles P-C4'-P energy: -30.847 tors. eta vs tors. theta energy: -26.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -357.952474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.952474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.952474 (E_RNA) where: Base-Base interactions energy: -132.190 where: short stacking energy: -120.673 Base-Backbone interact. energy: -0.571 local terms energy: -225.192135 where: bonds (distance) C4'-P energy: -49.941 bonds (distance) P-C4' energy: -67.688 flat angles C4'-P-C4' energy: -55.245 flat angles P-C4'-P energy: -36.732 tors. eta vs tors. theta energy: -15.586 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: 5 Temperature: 1.250000 Total energy: -350.416138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.416138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.416138 (E_RNA) where: Base-Base interactions energy: -155.847 where: short stacking energy: -92.820 Base-Backbone interact. energy: 0.583 local terms energy: -195.152598 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -65.771 flat angles C4'-P-C4' energy: -50.409 flat angles P-C4'-P energy: -24.590 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -320.731214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.731214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.731214 (E_RNA) where: Base-Base interactions energy: -139.128 where: short stacking energy: -99.677 Base-Backbone interact. energy: -0.828 local terms energy: -180.774982 where: bonds (distance) C4'-P energy: -43.295 bonds (distance) P-C4' energy: -59.891 flat angles C4'-P-C4' energy: -43.982 flat angles P-C4'-P energy: -29.534 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -288.972625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.972625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.972625 (E_RNA) where: Base-Base interactions energy: -111.518 where: short stacking energy: -107.022 Base-Backbone interact. energy: 2.980 local terms energy: -180.434774 where: bonds (distance) C4'-P energy: -46.779 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -44.778 flat angles P-C4'-P energy: -23.623 tors. eta vs tors. theta energy: -9.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -793.520629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.520629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.520629 (E_RNA) where: Base-Base interactions energy: -514.310 where: short stacking energy: -242.988 Base-Backbone interact. energy: -2.577 local terms energy: -276.633383 where: bonds (distance) C4'-P energy: -59.791 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -60.803 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -49.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -613.367370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.367370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.367370 (E_RNA) where: Base-Base interactions energy: -309.578 where: short stacking energy: -221.671 Base-Backbone interact. energy: -0.875 local terms energy: -302.914355 where: bonds (distance) C4'-P energy: -69.706 bonds (distance) P-C4' energy: -63.725 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -62.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -632.187428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.187428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.187428 (E_RNA) where: Base-Base interactions energy: -362.403 where: short stacking energy: -210.450 Base-Backbone interact. energy: -1.657 local terms energy: -268.127564 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -54.338 flat angles C4'-P-C4' energy: -62.235 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -49.389 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: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -557.037934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.037934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.037934 (E_RNA) where: Base-Base interactions energy: -333.756 where: short stacking energy: -187.651 Base-Backbone interact. energy: 2.536 local terms energy: -225.818461 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -49.326 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -21.182 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -543.317321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.317321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.317321 (E_RNA) where: Base-Base interactions energy: -312.749 where: short stacking energy: -170.359 Base-Backbone interact. energy: -0.850 local terms energy: -229.718278 where: bonds (distance) C4'-P energy: -62.067 bonds (distance) P-C4' energy: -44.424 flat angles C4'-P-C4' energy: -59.526 flat angles P-C4'-P energy: -41.325 tors. eta vs tors. theta energy: -22.377 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: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -521.795322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.795322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.795322 (E_RNA) where: Base-Base interactions energy: -310.650 where: short stacking energy: -155.365 Base-Backbone interact. energy: 1.579 local terms energy: -212.725121 where: bonds (distance) C4'-P energy: -44.717 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -40.288 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -21.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -416.869380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.869380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.869380 (E_RNA) where: Base-Base interactions energy: -220.525 where: short stacking energy: -117.818 Base-Backbone interact. energy: -0.190 local terms energy: -196.154991 where: bonds (distance) C4'-P energy: -58.486 bonds (distance) P-C4' energy: -59.417 flat angles C4'-P-C4' energy: -44.085 flat angles P-C4'-P energy: -24.555 tors. eta vs tors. theta energy: -9.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -357.588516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.588516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.588516 (E_RNA) where: Base-Base interactions energy: -166.509 where: short stacking energy: -121.343 Base-Backbone interact. energy: -1.140 local terms energy: -189.939309 where: bonds (distance) C4'-P energy: -51.159 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -47.669 flat angles P-C4'-P energy: -19.506 tors. eta vs tors. theta energy: -12.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -310.536464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.536464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.536464 (E_RNA) where: Base-Base interactions energy: -114.090 where: short stacking energy: -76.559 Base-Backbone interact. energy: -0.621 local terms energy: -195.825792 where: bonds (distance) C4'-P energy: -65.756 bonds (distance) P-C4' energy: -50.651 flat angles C4'-P-C4' energy: -41.238 flat angles P-C4'-P energy: -37.399 tors. eta vs tors. theta energy: -0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -274.992587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.992587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.992587 (E_RNA) where: Base-Base interactions energy: -111.328 where: short stacking energy: -93.679 Base-Backbone interact. energy: -0.253 local terms energy: -163.412511 where: bonds (distance) C4'-P energy: -37.796 bonds (distance) P-C4' energy: -52.817 flat angles C4'-P-C4' energy: -46.206 flat angles P-C4'-P energy: -35.026 tors. eta vs tors. theta energy: 8.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -835.704761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.704761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.704761 (E_RNA) where: Base-Base interactions energy: -530.711 where: short stacking energy: -283.044 Base-Backbone interact. energy: -0.495 local terms energy: -304.498871 where: bonds (distance) C4'-P energy: -65.440 bonds (distance) P-C4' energy: -62.537 flat angles C4'-P-C4' energy: -68.705 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -66.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -604.523036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.523036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.523036 (E_RNA) where: Base-Base interactions energy: -322.537 where: short stacking energy: -225.949 Base-Backbone interact. energy: -1.285 local terms energy: -280.700561 where: bonds (distance) C4'-P energy: -63.651 bonds (distance) P-C4' energy: -70.811 flat angles C4'-P-C4' energy: -59.404 flat angles P-C4'-P energy: -33.449 tors. eta vs tors. theta energy: -53.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -827.461633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.461633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.461633 (E_RNA) where: Base-Base interactions energy: -554.409 where: short stacking energy: -230.522 Base-Backbone interact. energy: -0.969 local terms energy: -272.083091 where: bonds (distance) C4'-P energy: -48.316 bonds (distance) P-C4' energy: -71.047 flat angles C4'-P-C4' energy: -54.612 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -62.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -638.127371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.127371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.127371 (E_RNA) where: Base-Base interactions energy: -370.538 where: short stacking energy: -185.300 Base-Backbone interact. energy: -1.402 local terms energy: -266.188151 where: bonds (distance) C4'-P energy: -58.146 bonds (distance) P-C4' energy: -63.810 flat angles C4'-P-C4' energy: -69.616 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -40.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -575.584511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.584511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.584511 (E_RNA) where: Base-Base interactions energy: -347.863 where: short stacking energy: -173.309 Base-Backbone interact. energy: 1.231 local terms energy: -228.952300 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -54.040 flat angles C4'-P-C4' energy: -51.656 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: -30.051 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: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -586.808514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.808514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.808514 (E_RNA) where: Base-Base interactions energy: -344.283 where: short stacking energy: -159.997 Base-Backbone interact. energy: -0.053 local terms energy: -242.472774 where: bonds (distance) C4'-P energy: -58.980 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -50.821 flat angles P-C4'-P energy: -37.242 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: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -481.364410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.364410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.364410 (E_RNA) where: Base-Base interactions energy: -256.133 where: short stacking energy: -157.884 Base-Backbone interact. energy: -1.010 local terms energy: -224.221271 where: bonds (distance) C4'-P energy: -57.106 bonds (distance) P-C4' energy: -55.209 flat angles C4'-P-C4' energy: -46.844 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -25.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -300.346219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.346219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.346219 (E_RNA) where: Base-Base interactions energy: -111.832 where: short stacking energy: -98.576 Base-Backbone interact. energy: 0.272 local terms energy: -188.785819 where: bonds (distance) C4'-P energy: -44.545 bonds (distance) P-C4' energy: -58.077 flat angles C4'-P-C4' energy: -59.004 flat angles P-C4'-P energy: -30.273 tors. eta vs tors. theta energy: 3.113 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: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -286.181552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.181552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.181552 (E_RNA) where: Base-Base interactions energy: -105.894 where: short stacking energy: -80.532 Base-Backbone interact. energy: 1.898 local terms energy: -182.185435 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -51.594 flat angles C4'-P-C4' energy: -48.113 flat angles P-C4'-P energy: -33.061 tors. eta vs tors. theta energy: 2.087 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: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -280.050209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.050209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.050209 (E_RNA) where: Base-Base interactions energy: -122.697 where: short stacking energy: -75.888 Base-Backbone interact. energy: 0.856 local terms energy: -158.208521 where: bonds (distance) C4'-P energy: -41.765 bonds (distance) P-C4' energy: -56.346 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: 9.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -804.184482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.184482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.184482 (E_RNA) where: Base-Base interactions energy: -508.621 where: short stacking energy: -249.265 Base-Backbone interact. energy: -1.866 local terms energy: -293.696632 where: bonds (distance) C4'-P energy: -58.881 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -62.880 flat angles P-C4'-P energy: -51.524 tors. eta vs tors. theta energy: -56.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -610.853178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.853178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.853178 (E_RNA) where: Base-Base interactions energy: -344.609 where: short stacking energy: -207.065 Base-Backbone interact. energy: -0.719 local terms energy: -265.525285 where: bonds (distance) C4'-P energy: -59.957 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -64.795 flat angles P-C4'-P energy: -39.444 tors. eta vs tors. theta energy: -41.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -865.655985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.655985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.655985 (E_RNA) where: Base-Base interactions energy: -570.672 where: short stacking energy: -247.454 Base-Backbone interact. energy: -2.258 local terms energy: -292.725520 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -65.929 flat angles C4'-P-C4' energy: -60.911 flat angles P-C4'-P energy: -44.188 tors. eta vs tors. theta energy: -57.874 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: 8 Temperature: 1.050000 Total energy: -651.070306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.070306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.070306 (E_RNA) where: Base-Base interactions energy: -392.644 where: short stacking energy: -197.096 Base-Backbone interact. energy: -2.639 local terms energy: -255.787179 where: bonds (distance) C4'-P energy: -56.484 bonds (distance) P-C4' energy: -57.595 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -30.591 tors. eta vs tors. theta energy: -40.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -658.555467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.555467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.555467 (E_RNA) where: Base-Base interactions energy: -399.307 where: short stacking energy: -189.762 Base-Backbone interact. energy: -2.618 local terms energy: -256.630522 where: bonds (distance) C4'-P energy: -59.530 bonds (distance) P-C4' energy: -60.202 flat angles C4'-P-C4' energy: -57.914 flat angles P-C4'-P energy: -32.792 tors. eta vs tors. theta energy: -46.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -555.094105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.094105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.094105 (E_RNA) where: Base-Base interactions energy: -323.785 where: short stacking energy: -150.167 Base-Backbone interact. energy: -1.653 local terms energy: -229.656214 where: bonds (distance) C4'-P energy: -63.354 bonds (distance) P-C4' energy: -58.010 flat angles C4'-P-C4' energy: -50.123 flat angles P-C4'-P energy: -35.578 tors. eta vs tors. theta energy: -22.591 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -443.343461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.343461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.343461 (E_RNA) where: Base-Base interactions energy: -245.424 where: short stacking energy: -131.665 Base-Backbone interact. energy: 0.367 local terms energy: -198.286277 where: bonds (distance) C4'-P energy: -51.839 bonds (distance) P-C4' energy: -54.783 flat angles C4'-P-C4' energy: -56.882 flat angles P-C4'-P energy: -30.637 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -329.023675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.023675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.023675 (E_RNA) where: Base-Base interactions energy: -136.625 where: short stacking energy: -83.489 Base-Backbone interact. energy: -1.274 local terms energy: -191.124340 where: bonds (distance) C4'-P energy: -52.185 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -50.666 flat angles P-C4'-P energy: -32.617 tors. eta vs tors. theta energy: 9.051 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: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -281.350035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.350035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.350035 (E_RNA) where: Base-Base interactions energy: -105.009 where: short stacking energy: -93.695 Base-Backbone interact. energy: -1.408 local terms energy: -174.932707 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -61.572 flat angles C4'-P-C4' energy: -41.819 flat angles P-C4'-P energy: -28.642 tors. eta vs tors. theta energy: 6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -275.322975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.322975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.322975 (E_RNA) where: Base-Base interactions energy: -115.628 where: short stacking energy: -98.494 Base-Backbone interact. energy: 0.818 local terms energy: -160.512706 where: bonds (distance) C4'-P energy: -48.831 bonds (distance) P-C4' energy: -53.076 flat angles C4'-P-C4' energy: -47.400 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -871.551535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.551535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.551535 (E_RNA) where: Base-Base interactions energy: -545.148 where: short stacking energy: -279.292 Base-Backbone interact. energy: -2.723 local terms energy: -323.680650 where: bonds (distance) C4'-P energy: -62.261 bonds (distance) P-C4' energy: -72.351 flat angles C4'-P-C4' energy: -72.175 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -74.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -856.370802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.370802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.370802 (E_RNA) where: Base-Base interactions energy: -567.213 where: short stacking energy: -256.740 Base-Backbone interact. energy: -0.816 local terms energy: -288.342273 where: bonds (distance) C4'-P energy: -59.342 bonds (distance) P-C4' energy: -54.801 flat angles C4'-P-C4' energy: -69.860 flat angles P-C4'-P energy: -40.779 tors. eta vs tors. theta energy: -63.560 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: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -607.517247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.517247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.517247 (E_RNA) where: Base-Base interactions energy: -325.643 where: short stacking energy: -208.634 Base-Backbone interact. energy: -0.908 local terms energy: -280.966620 where: bonds (distance) C4'-P energy: -59.085 bonds (distance) P-C4' energy: -65.058 flat angles C4'-P-C4' energy: -69.391 flat angles P-C4'-P energy: -42.161 tors. eta vs tors. theta energy: -45.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -685.397911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.397911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.397911 (E_RNA) where: Base-Base interactions energy: -443.022 where: short stacking energy: -198.177 Base-Backbone interact. energy: -2.619 local terms energy: -239.757430 where: bonds (distance) C4'-P energy: -34.420 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -68.366 flat angles P-C4'-P energy: -33.442 tors. eta vs tors. theta energy: -38.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -744.776123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.776123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.776123 (E_RNA) where: Base-Base interactions energy: -496.797 where: short stacking energy: -212.679 Base-Backbone interact. energy: 2.472 local terms energy: -250.450839 where: bonds (distance) C4'-P energy: -42.412 bonds (distance) P-C4' energy: -60.264 flat angles C4'-P-C4' energy: -48.986 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -60.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -541.056421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.056421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.056421 (E_RNA) where: Base-Base interactions energy: -303.178 where: short stacking energy: -165.171 Base-Backbone interact. energy: -1.963 local terms energy: -235.915029 where: bonds (distance) C4'-P energy: -56.128 bonds (distance) P-C4' energy: -58.263 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -39.618 tors. eta vs tors. theta energy: -22.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -416.544182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.544182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.544182 (E_RNA) where: Base-Base interactions energy: -223.701 where: short stacking energy: -140.481 Base-Backbone interact. energy: 2.805 local terms energy: -195.648097 where: bonds (distance) C4'-P energy: -46.645 bonds (distance) P-C4' energy: -56.494 flat angles C4'-P-C4' energy: -53.378 flat angles P-C4'-P energy: -33.794 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -348.126931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.126931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.126931 (E_RNA) where: Base-Base interactions energy: -154.298 where: short stacking energy: -98.569 Base-Backbone interact. energy: -0.834 local terms energy: -192.994575 where: bonds (distance) C4'-P energy: -71.782 bonds (distance) P-C4' energy: -47.623 flat angles C4'-P-C4' energy: -48.156 flat angles P-C4'-P energy: -29.164 tors. eta vs tors. theta energy: 3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -292.264951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.264951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.264951 (E_RNA) where: Base-Base interactions energy: -101.059 where: short stacking energy: -87.304 Base-Backbone interact. energy: -1.135 local terms energy: -190.070843 where: bonds (distance) C4'-P energy: -54.989 bonds (distance) P-C4' energy: -64.518 flat angles C4'-P-C4' energy: -45.770 flat angles P-C4'-P energy: -28.218 tors. eta vs tors. theta energy: 3.424 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: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -321.632653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.632653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.632653 (E_RNA) where: Base-Base interactions energy: -136.598 where: short stacking energy: -82.253 Base-Backbone interact. energy: 0.572 local terms energy: -185.606046 where: bonds (distance) C4'-P energy: -44.781 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -44.111 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: 7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -859.931250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.931250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.931250 (E_RNA) where: Base-Base interactions energy: -537.516 where: short stacking energy: -270.427 Base-Backbone interact. energy: -0.253 local terms energy: -322.162314 where: bonds (distance) C4'-P energy: -61.816 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -68.008 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: -70.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -899.392733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.392733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.392733 (E_RNA) where: Base-Base interactions energy: -586.512 where: short stacking energy: -258.520 Base-Backbone interact. energy: -1.492 local terms energy: -311.388232 where: bonds (distance) C4'-P energy: -66.418 bonds (distance) P-C4' energy: -71.152 flat angles C4'-P-C4' energy: -68.755 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -58.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -783.359456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.359456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.359456 (E_RNA) where: Base-Base interactions energy: -483.485 where: short stacking energy: -239.933 Base-Backbone interact. energy: -1.821 local terms energy: -298.053424 where: bonds (distance) C4'-P energy: -58.520 bonds (distance) P-C4' energy: -69.791 flat angles C4'-P-C4' energy: -64.258 flat angles P-C4'-P energy: -44.822 tors. eta vs tors. theta energy: -60.662 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -591.925008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.925008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.925008 (E_RNA) where: Base-Base interactions energy: -331.173 where: short stacking energy: -182.509 Base-Backbone interact. energy: -0.333 local terms energy: -260.418630 where: bonds (distance) C4'-P energy: -57.448 bonds (distance) P-C4' energy: -69.675 flat angles C4'-P-C4' energy: -52.592 flat angles P-C4'-P energy: -43.691 tors. eta vs tors. theta energy: -37.013 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: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -827.351565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.351565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.351565 (E_RNA) where: Base-Base interactions energy: -540.217 where: short stacking energy: -232.952 Base-Backbone interact. energy: -0.754 local terms energy: -286.380793 where: bonds (distance) C4'-P energy: -61.912 bonds (distance) P-C4' energy: -59.746 flat angles C4'-P-C4' energy: -66.021 flat angles P-C4'-P energy: -33.170 tors. eta vs tors. theta energy: -65.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -569.979480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.979480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.979480 (E_RNA) where: Base-Base interactions energy: -323.539 where: short stacking energy: -156.834 Base-Backbone interact. energy: -0.778 local terms energy: -245.662390 where: bonds (distance) C4'-P energy: -50.356 bonds (distance) P-C4' energy: -67.296 flat angles C4'-P-C4' energy: -61.229 flat angles P-C4'-P energy: -39.813 tors. eta vs tors. theta energy: -26.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -440.293710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.293710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.293710 (E_RNA) where: Base-Base interactions energy: -219.646 where: short stacking energy: -134.995 Base-Backbone interact. energy: -0.758 local terms energy: -219.889732 where: bonds (distance) C4'-P energy: -63.190 bonds (distance) P-C4' energy: -55.832 flat angles C4'-P-C4' energy: -51.194 flat angles P-C4'-P energy: -34.674 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -371.461403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.461403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.461403 (E_RNA) where: Base-Base interactions energy: -170.413 where: short stacking energy: -104.241 Base-Backbone interact. energy: 0.146 local terms energy: -201.193537 where: bonds (distance) C4'-P energy: -42.717 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -47.351 flat angles P-C4'-P energy: -36.031 tors. eta vs tors. theta energy: -8.749 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: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -300.336820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.336820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.336820 (E_RNA) where: Base-Base interactions energy: -112.629 where: short stacking energy: -80.446 Base-Backbone interact. energy: -0.948 local terms energy: -186.760577 where: bonds (distance) C4'-P energy: -46.132 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -31.316 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -274.291726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.291726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.291726 (E_RNA) where: Base-Base interactions energy: -96.278 where: short stacking energy: -86.615 Base-Backbone interact. energy: 1.837 local terms energy: -179.850811 where: bonds (distance) C4'-P energy: -52.313 bonds (distance) P-C4' energy: -43.920 flat angles C4'-P-C4' energy: -49.422 flat angles P-C4'-P energy: -24.495 tors. eta vs tors. theta energy: -9.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -892.832122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.832122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.832122 (E_RNA) where: Base-Base interactions energy: -574.668 where: short stacking energy: -292.996 Base-Backbone interact. energy: -1.834 local terms energy: -316.329687 where: bonds (distance) C4'-P energy: -59.360 bonds (distance) P-C4' energy: -63.942 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -50.343 tors. eta vs tors. theta energy: -73.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -893.619878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.619878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.619878 (E_RNA) where: Base-Base interactions energy: -597.956 where: short stacking energy: -265.432 Base-Backbone interact. energy: -0.327 local terms energy: -295.336890 where: bonds (distance) C4'-P energy: -56.635 bonds (distance) P-C4' energy: -61.578 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -65.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -770.424848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.424848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.424848 (E_RNA) where: Base-Base interactions energy: -479.337 where: short stacking energy: -213.337 Base-Backbone interact. energy: -1.055 local terms energy: -290.032749 where: bonds (distance) C4'-P energy: -71.531 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -52.779 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: -58.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -845.992229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.992229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.992229 (E_RNA) where: Base-Base interactions energy: -548.693 where: short stacking energy: -260.836 Base-Backbone interact. energy: -0.376 local terms energy: -296.924135 where: bonds (distance) C4'-P energy: -55.948 bonds (distance) P-C4' energy: -56.510 flat angles C4'-P-C4' energy: -66.378 flat angles P-C4'-P energy: -41.342 tors. eta vs tors. theta energy: -76.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -566.603747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.603747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.603747 (E_RNA) where: Base-Base interactions energy: -324.482 where: short stacking energy: -160.854 Base-Backbone interact. energy: -1.872 local terms energy: -240.249287 where: bonds (distance) C4'-P energy: -47.556 bonds (distance) P-C4' energy: -60.300 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -36.544 tors. eta vs tors. theta energy: -34.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -618.688956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.688956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.688956 (E_RNA) where: Base-Base interactions energy: -376.256 where: short stacking energy: -172.961 Base-Backbone interact. energy: -0.015 local terms energy: -242.418101 where: bonds (distance) C4'-P energy: -43.661 bonds (distance) P-C4' energy: -51.408 flat angles C4'-P-C4' energy: -63.524 flat angles P-C4'-P energy: -44.570 tors. eta vs tors. theta energy: -39.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -500.928763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.928763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.928763 (E_RNA) where: Base-Base interactions energy: -265.644 where: short stacking energy: -145.652 Base-Backbone interact. energy: -0.644 local terms energy: -234.640647 where: bonds (distance) C4'-P energy: -52.870 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -56.421 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -420.834532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.834532 (E_RNA) where: Base-Base interactions energy: -214.380 where: short stacking energy: -132.366 Base-Backbone interact. energy: -0.306 local terms energy: -206.148319 where: bonds (distance) C4'-P energy: -57.706 bonds (distance) P-C4' energy: -55.983 flat angles C4'-P-C4' energy: -53.227 flat angles P-C4'-P energy: -32.577 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -294.883997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.883997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.883997 (E_RNA) where: Base-Base interactions energy: -104.161 where: short stacking energy: -89.691 Base-Backbone interact. energy: 0.578 local terms energy: -191.301053 where: bonds (distance) C4'-P energy: -59.529 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -52.533 flat angles P-C4'-P energy: -35.813 tors. eta vs tors. theta energy: 9.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -347.012041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.012041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.012041 (E_RNA) where: Base-Base interactions energy: -161.675 where: short stacking energy: -113.278 Base-Backbone interact. energy: 1.301 local terms energy: -186.638651 where: bonds (distance) C4'-P energy: -49.848 bonds (distance) P-C4' energy: -54.701 flat angles C4'-P-C4' energy: -50.009 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -895.187666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.187666 (E_RNA) where: Base-Base interactions energy: -558.639 where: short stacking energy: -274.834 Base-Backbone interact. energy: -2.887 local terms energy: -333.661760 where: bonds (distance) C4'-P energy: -67.633 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -66.242 flat angles P-C4'-P energy: -48.169 tors. eta vs tors. theta energy: -75.539 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -901.341591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.341591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.341591 (E_RNA) where: Base-Base interactions energy: -605.001 where: short stacking energy: -270.869 Base-Backbone interact. energy: 0.827 local terms energy: -297.168254 where: bonds (distance) C4'-P energy: -59.099 bonds (distance) P-C4' energy: -63.437 flat angles C4'-P-C4' energy: -65.278 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -64.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -926.866591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.866591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.866591 (E_RNA) where: Base-Base interactions energy: -608.597 where: short stacking energy: -287.645 Base-Backbone interact. energy: 0.307 local terms energy: -318.576764 where: bonds (distance) C4'-P energy: -57.425 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -49.929 tors. eta vs tors. theta energy: -77.249 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -758.223291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.223291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.223291 (E_RNA) where: Base-Base interactions energy: -490.573 where: short stacking energy: -221.804 Base-Backbone interact. energy: -0.288 local terms energy: -267.361805 where: bonds (distance) C4'-P energy: -59.481 bonds (distance) P-C4' energy: -58.128 flat angles C4'-P-C4' energy: -62.838 flat angles P-C4'-P energy: -31.852 tors. eta vs tors. theta energy: -55.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -686.979168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.979168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.979168 (E_RNA) where: Base-Base interactions energy: -426.614 where: short stacking energy: -193.743 Base-Backbone interact. energy: -1.014 local terms energy: -259.351006 where: bonds (distance) C4'-P energy: -50.398 bonds (distance) P-C4' energy: -55.663 flat angles C4'-P-C4' energy: -63.367 flat angles P-C4'-P energy: -45.842 tors. eta vs tors. theta energy: -44.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -541.286220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.286220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.286220 (E_RNA) where: Base-Base interactions energy: -287.787 where: short stacking energy: -164.817 Base-Backbone interact. energy: 1.168 local terms energy: -254.667267 where: bonds (distance) C4'-P energy: -54.499 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -53.620 flat angles P-C4'-P energy: -38.588 tors. eta vs tors. theta energy: -41.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -529.283643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.283643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.283643 (E_RNA) where: Base-Base interactions energy: -294.653 where: short stacking energy: -177.848 Base-Backbone interact. energy: -0.245 local terms energy: -234.385501 where: bonds (distance) C4'-P energy: -58.625 bonds (distance) P-C4' energy: -58.886 flat angles C4'-P-C4' energy: -43.766 flat angles P-C4'-P energy: -35.250 tors. eta vs tors. theta energy: -37.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -420.094164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.094164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.094164 (E_RNA) where: Base-Base interactions energy: -214.539 where: short stacking energy: -130.734 Base-Backbone interact. energy: 2.745 local terms energy: -208.300276 where: bonds (distance) C4'-P energy: -46.205 bonds (distance) P-C4' energy: -58.334 flat angles C4'-P-C4' energy: -53.995 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -12.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -297.346958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.346958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.346958 (E_RNA) where: Base-Base interactions energy: -98.493 where: short stacking energy: -77.634 Base-Backbone interact. energy: 1.393 local terms energy: -200.247267 where: bonds (distance) C4'-P energy: -49.365 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -58.806 flat angles P-C4'-P energy: -26.095 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -290.072792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.072792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.072792 (E_RNA) where: Base-Base interactions energy: -144.955 where: short stacking energy: -84.739 Base-Backbone interact. energy: 0.620 local terms energy: -145.737618 where: bonds (distance) C4'-P energy: -37.463 bonds (distance) P-C4' energy: -49.351 flat angles C4'-P-C4' energy: -51.917 flat angles P-C4'-P energy: -27.273 tors. eta vs tors. theta energy: 20.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -927.579262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.579262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.579262 (E_RNA) where: Base-Base interactions energy: -606.076 where: short stacking energy: -295.018 Base-Backbone interact. energy: -2.422 local terms energy: -319.081099 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -68.447 flat angles P-C4'-P energy: -45.593 tors. eta vs tors. theta energy: -80.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -948.112536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.112536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.112536 (E_RNA) where: Base-Base interactions energy: -623.587 where: short stacking energy: -285.155 Base-Backbone interact. energy: -0.445 local terms energy: -324.080812 where: bonds (distance) C4'-P energy: -60.241 bonds (distance) P-C4' energy: -61.423 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -46.708 tors. eta vs tors. theta energy: -81.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -870.567350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.567350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.567350 (E_RNA) where: Base-Base interactions energy: -569.847 where: short stacking energy: -245.405 Base-Backbone interact. energy: -1.060 local terms energy: -299.660891 where: bonds (distance) C4'-P energy: -59.218 bonds (distance) P-C4' energy: -65.912 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -58.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -763.109021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.109021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.109021 (E_RNA) where: Base-Base interactions energy: -481.709 where: short stacking energy: -209.029 Base-Backbone interact. energy: -1.317 local terms energy: -280.082541 where: bonds (distance) C4'-P energy: -59.000 bonds (distance) P-C4' energy: -58.884 flat angles C4'-P-C4' energy: -64.283 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -50.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -719.295770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.295770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.295770 (E_RNA) where: Base-Base interactions energy: -453.160 where: short stacking energy: -220.313 Base-Backbone interact. energy: -0.782 local terms energy: -265.353689 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -59.548 flat angles C4'-P-C4' energy: -58.509 flat angles P-C4'-P energy: -32.153 tors. eta vs tors. theta energy: -58.150 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: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -563.695769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.695769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.695769 (E_RNA) where: Base-Base interactions energy: -338.168 where: short stacking energy: -160.143 Base-Backbone interact. energy: 1.358 local terms energy: -226.885193 where: bonds (distance) C4'-P energy: -45.416 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -60.292 flat angles P-C4'-P energy: -33.086 tors. eta vs tors. theta energy: -33.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -496.211778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.211778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.211778 (E_RNA) where: Base-Base interactions energy: -247.708 where: short stacking energy: -122.006 Base-Backbone interact. energy: -0.761 local terms energy: -247.742517 where: bonds (distance) C4'-P energy: -60.737 bonds (distance) P-C4' energy: -69.884 flat angles C4'-P-C4' energy: -56.361 flat angles P-C4'-P energy: -33.236 tors. eta vs tors. theta energy: -27.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -426.204736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.204736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.204736 (E_RNA) where: Base-Base interactions energy: -240.336 where: short stacking energy: -115.487 Base-Backbone interact. energy: -0.769 local terms energy: -185.100075 where: bonds (distance) C4'-P energy: -39.155 bonds (distance) P-C4' energy: -53.324 flat angles C4'-P-C4' energy: -54.177 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: 0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -322.294024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.294024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.294024 (E_RNA) where: Base-Base interactions energy: -142.851 where: short stacking energy: -109.024 Base-Backbone interact. energy: 1.622 local terms energy: -181.064980 where: bonds (distance) C4'-P energy: -49.462 bonds (distance) P-C4' energy: -55.685 flat angles C4'-P-C4' energy: -47.108 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: 0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -274.693120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.693120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.693120 (E_RNA) where: Base-Base interactions energy: -105.338 where: short stacking energy: -91.644 Base-Backbone interact. energy: -0.684 local terms energy: -168.671071 where: bonds (distance) C4'-P energy: -47.221 bonds (distance) P-C4' energy: -50.771 flat angles C4'-P-C4' energy: -50.004 flat angles P-C4'-P energy: -26.969 tors. eta vs tors. theta energy: 6.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -925.997202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.997202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.997202 (E_RNA) where: Base-Base interactions energy: -587.048 where: short stacking energy: -290.051 Base-Backbone interact. energy: -1.853 local terms energy: -337.096252 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -60.061 tors. eta vs tors. theta energy: -81.740 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: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -942.338302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.338302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.338302 (E_RNA) where: Base-Base interactions energy: -622.579 where: short stacking energy: -279.422 Base-Backbone interact. energy: -0.221 local terms energy: -319.538341 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -60.127 flat angles C4'-P-C4' energy: -68.178 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: -86.758 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: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -846.283122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.283122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.283122 (E_RNA) where: Base-Base interactions energy: -565.610 where: short stacking energy: -226.890 Base-Backbone interact. energy: -1.737 local terms energy: -278.936412 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -56.418 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -53.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -785.219784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.219784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.219784 (E_RNA) where: Base-Base interactions energy: -522.892 where: short stacking energy: -207.657 Base-Backbone interact. energy: 0.992 local terms energy: -263.319089 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -60.661 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -34.337 tors. eta vs tors. theta energy: -53.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -719.553958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.553958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.553958 (E_RNA) where: Base-Base interactions energy: -457.888 where: short stacking energy: -217.737 Base-Backbone interact. energy: 0.837 local terms energy: -262.502633 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -59.380 flat angles C4'-P-C4' energy: -60.836 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: -52.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -600.769563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.769563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.769563 (E_RNA) where: Base-Base interactions energy: -352.760 where: short stacking energy: -178.434 Base-Backbone interact. energy: 2.235 local terms energy: -250.244279 where: bonds (distance) C4'-P energy: -61.341 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -44.089 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -39.187 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: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -470.718356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.718356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.718356 (E_RNA) where: Base-Base interactions energy: -239.802 where: short stacking energy: -140.561 Base-Backbone interact. energy: -0.777 local terms energy: -230.140181 where: bonds (distance) C4'-P energy: -60.878 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -61.051 flat angles P-C4'-P energy: -30.920 tors. eta vs tors. theta energy: -19.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -428.610169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.610169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.610169 (E_RNA) where: Base-Base interactions energy: -240.561 where: short stacking energy: -126.074 Base-Backbone interact. energy: -0.510 local terms energy: -187.539835 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -56.370 flat angles C4'-P-C4' energy: -39.757 flat angles P-C4'-P energy: -27.527 tors. eta vs tors. theta energy: -10.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -273.829002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.829002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.829002 (E_RNA) where: Base-Base interactions energy: -109.557 where: short stacking energy: -75.071 Base-Backbone interact. energy: -2.548 local terms energy: -161.724235 where: bonds (distance) C4'-P energy: -50.309 bonds (distance) P-C4' energy: -60.551 flat angles C4'-P-C4' energy: -40.820 flat angles P-C4'-P energy: -20.536 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: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -288.997426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.997426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.997426 (E_RNA) where: Base-Base interactions energy: -100.496 where: short stacking energy: -69.530 Base-Backbone interact. energy: 1.584 local terms energy: -190.085446 where: bonds (distance) C4'-P energy: -53.201 bonds (distance) P-C4' energy: -61.699 flat angles C4'-P-C4' energy: -54.871 flat angles P-C4'-P energy: -24.540 tors. eta vs tors. theta energy: 4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -951.205668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.205668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.205668 (E_RNA) where: Base-Base interactions energy: -621.958 where: short stacking energy: -302.214 Base-Backbone interact. energy: -0.264 local terms energy: -328.983440 where: bonds (distance) C4'-P energy: -58.893 bonds (distance) P-C4' energy: -68.894 flat angles C4'-P-C4' energy: -71.043 flat angles P-C4'-P energy: -48.480 tors. eta vs tors. theta energy: -81.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -949.342737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.342737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.342737 (E_RNA) where: Base-Base interactions energy: -614.091 where: short stacking energy: -281.480 Base-Backbone interact. energy: -2.289 local terms energy: -332.962644 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -65.571 flat angles C4'-P-C4' energy: -70.501 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: -81.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -859.398177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.398177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.398177 (E_RNA) where: Base-Base interactions energy: -567.305 where: short stacking energy: -236.174 Base-Backbone interact. energy: -1.596 local terms energy: -290.496305 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -63.616 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -56.232 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: 2 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -737.213308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.213308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.213308 (E_RNA) where: Base-Base interactions energy: -454.585 where: short stacking energy: -223.031 Base-Backbone interact. energy: -1.080 local terms energy: -281.548396 where: bonds (distance) C4'-P energy: -56.095 bonds (distance) P-C4' energy: -58.759 flat angles C4'-P-C4' energy: -64.555 flat angles P-C4'-P energy: -47.302 tors. eta vs tors. theta energy: -54.837 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: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -676.073743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.073743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.073743 (E_RNA) where: Base-Base interactions energy: -413.796 where: short stacking energy: -179.255 Base-Backbone interact. energy: -1.194 local terms energy: -261.084049 where: bonds (distance) C4'-P energy: -66.779 bonds (distance) P-C4' energy: -63.566 flat angles C4'-P-C4' energy: -68.374 flat angles P-C4'-P energy: -35.080 tors. eta vs tors. theta energy: -27.285 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: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -617.308440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.308440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.308440 (E_RNA) where: Base-Base interactions energy: -366.906 where: short stacking energy: -203.248 Base-Backbone interact. energy: -0.460 local terms energy: -249.941658 where: bonds (distance) C4'-P energy: -50.474 bonds (distance) P-C4' energy: -57.054 flat angles C4'-P-C4' energy: -52.346 flat angles P-C4'-P energy: -32.682 tors. eta vs tors. theta energy: -57.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -469.928240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.928240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.928240 (E_RNA) where: Base-Base interactions energy: -246.288 where: short stacking energy: -119.780 Base-Backbone interact. energy: -1.347 local terms energy: -222.293394 where: bonds (distance) C4'-P energy: -57.692 bonds (distance) P-C4' energy: -59.022 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -46.132 tors. eta vs tors. theta energy: -2.303 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: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -448.288787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.288787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.288787 (E_RNA) where: Base-Base interactions energy: -223.657 where: short stacking energy: -133.479 Base-Backbone interact. energy: -1.063 local terms energy: -223.569362 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -51.289 flat angles C4'-P-C4' energy: -40.900 flat angles P-C4'-P energy: -35.388 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: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -323.438703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.438703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.438703 (E_RNA) where: Base-Base interactions energy: -143.104 where: short stacking energy: -85.289 Base-Backbone interact. energy: 0.105 local terms energy: -180.439540 where: bonds (distance) C4'-P energy: -52.822 bonds (distance) P-C4' energy: -61.313 flat angles C4'-P-C4' energy: -44.412 flat angles P-C4'-P energy: -32.369 tors. eta vs tors. theta energy: 10.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -304.794212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.794212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.794212 (E_RNA) where: Base-Base interactions energy: -153.052 where: short stacking energy: -110.881 Base-Backbone interact. energy: -0.735 local terms energy: -151.007256 where: bonds (distance) C4'-P energy: -44.345 bonds (distance) P-C4' energy: -53.702 flat angles C4'-P-C4' energy: -36.638 flat angles P-C4'-P energy: -20.202 tors. eta vs tors. theta energy: 3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -994.179358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.179358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.179358 (E_RNA) where: Base-Base interactions energy: -660.822 where: short stacking energy: -304.534 Base-Backbone interact. energy: -1.108 local terms energy: -332.248624 where: bonds (distance) C4'-P energy: -61.999 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -76.855 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -80.925 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: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -920.820049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.820049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.820049 (E_RNA) where: Base-Base interactions energy: -610.724 where: short stacking energy: -287.759 Base-Backbone interact. energy: -1.100 local terms energy: -308.995979 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -69.610 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -50.051 tors. eta vs tors. theta energy: -59.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -893.385231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.385231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.385231 (E_RNA) where: Base-Base interactions energy: -602.157 where: short stacking energy: -266.988 Base-Backbone interact. energy: -1.941 local terms energy: -289.287058 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -61.287 flat angles C4'-P-C4' energy: -62.863 flat angles P-C4'-P energy: -38.049 tors. eta vs tors. theta energy: -68.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -761.550544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.550544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.550544 (E_RNA) where: Base-Base interactions energy: -479.652 where: short stacking energy: -214.860 Base-Backbone interact. energy: -1.338 local terms energy: -280.560576 where: bonds (distance) C4'-P energy: -66.755 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -63.698 flat angles P-C4'-P energy: -38.226 tors. eta vs tors. theta energy: -50.149 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -645.321257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.321257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.321257 (E_RNA) where: Base-Base interactions energy: -376.253 where: short stacking energy: -188.669 Base-Backbone interact. energy: -0.736 local terms energy: -268.332264 where: bonds (distance) C4'-P energy: -66.460 bonds (distance) P-C4' energy: -64.836 flat angles C4'-P-C4' energy: -66.766 flat angles P-C4'-P energy: -29.444 tors. eta vs tors. theta energy: -40.827 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: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -636.827641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.827641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.827641 (E_RNA) where: Base-Base interactions energy: -388.463 where: short stacking energy: -204.264 Base-Backbone interact. energy: 3.127 local terms energy: -251.491380 where: bonds (distance) C4'-P energy: -50.436 bonds (distance) P-C4' energy: -58.375 flat angles C4'-P-C4' energy: -59.503 flat angles P-C4'-P energy: -41.715 tors. eta vs tors. theta energy: -41.464 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: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -484.310248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.310248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.310248 (E_RNA) where: Base-Base interactions energy: -256.716 where: short stacking energy: -147.965 Base-Backbone interact. energy: -1.137 local terms energy: -226.457907 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -57.245 flat angles C4'-P-C4' energy: -45.240 flat angles P-C4'-P energy: -40.421 tors. eta vs tors. theta energy: -25.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -488.936758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.936758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.936758 (E_RNA) where: Base-Base interactions energy: -261.993 where: short stacking energy: -148.934 Base-Backbone interact. energy: -1.650 local terms energy: -225.293622 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -57.963 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -26.719 tors. eta vs tors. theta energy: -20.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -290.537475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.537475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.537475 (E_RNA) where: Base-Base interactions energy: -140.088 where: short stacking energy: -82.050 Base-Backbone interact. energy: 0.759 local terms energy: -151.208544 where: bonds (distance) C4'-P energy: -36.993 bonds (distance) P-C4' energy: -57.677 flat angles C4'-P-C4' energy: -44.336 flat angles P-C4'-P energy: -25.187 tors. eta vs tors. theta energy: 12.985 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: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -278.742714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.742714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.742714 (E_RNA) where: Base-Base interactions energy: -76.466 where: short stacking energy: -71.058 Base-Backbone interact. energy: -2.357 local terms energy: -199.919754 where: bonds (distance) C4'-P energy: -56.121 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -54.445 flat angles P-C4'-P energy: -34.336 tors. eta vs tors. theta energy: 6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -998.179670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.179670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.179670 (E_RNA) where: Base-Base interactions energy: -662.433 where: short stacking energy: -301.913 Base-Backbone interact. energy: -0.359 local terms energy: -335.387722 where: bonds (distance) C4'-P energy: -68.710 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -71.556 flat angles P-C4'-P energy: -43.203 tors. eta vs tors. theta energy: -81.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -933.538012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.538012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.538012 (E_RNA) where: Base-Base interactions energy: -628.088 where: short stacking energy: -291.014 Base-Backbone interact. energy: -0.970 local terms energy: -304.479499 where: bonds (distance) C4'-P energy: -61.287 bonds (distance) P-C4' energy: -70.878 flat angles C4'-P-C4' energy: -62.947 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: -78.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -879.550039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.550039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.550039 (E_RNA) where: Base-Base interactions energy: -582.356 where: short stacking energy: -275.475 Base-Backbone interact. energy: -1.628 local terms energy: -295.566409 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -66.814 flat angles P-C4'-P energy: -42.181 tors. eta vs tors. theta energy: -68.100 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: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -789.145427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.145427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.145427 (E_RNA) where: Base-Base interactions energy: -488.716 where: short stacking energy: -238.525 Base-Backbone interact. energy: -1.942 local terms energy: -298.487045 where: bonds (distance) C4'-P energy: -63.015 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -59.828 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: -63.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -712.240379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.240379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.240379 (E_RNA) where: Base-Base interactions energy: -454.883 where: short stacking energy: -219.019 Base-Backbone interact. energy: -1.157 local terms energy: -256.200712 where: bonds (distance) C4'-P energy: -48.376 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -47.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -613.466147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.466147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.466147 (E_RNA) where: Base-Base interactions energy: -372.281 where: short stacking energy: -189.557 Base-Backbone interact. energy: -0.340 local terms energy: -240.845113 where: bonds (distance) C4'-P energy: -57.953 bonds (distance) P-C4' energy: -60.981 flat angles C4'-P-C4' energy: -51.784 flat angles P-C4'-P energy: -35.486 tors. eta vs tors. theta energy: -34.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -501.771636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.771636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.771636 (E_RNA) where: Base-Base interactions energy: -273.311 where: short stacking energy: -150.009 Base-Backbone interact. energy: -1.722 local terms energy: -226.738999 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -59.314 flat angles P-C4'-P energy: -30.720 tors. eta vs tors. theta energy: -26.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -502.111294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.111294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.111294 (E_RNA) where: Base-Base interactions energy: -284.528 where: short stacking energy: -152.021 Base-Backbone interact. energy: -0.194 local terms energy: -217.389784 where: bonds (distance) C4'-P energy: -52.494 bonds (distance) P-C4' energy: -54.928 flat angles C4'-P-C4' energy: -56.213 flat angles P-C4'-P energy: -30.823 tors. eta vs tors. theta energy: -22.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -305.844130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.844130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.844130 (E_RNA) where: Base-Base interactions energy: -121.914 where: short stacking energy: -102.845 Base-Backbone interact. energy: 2.320 local terms energy: -186.249510 where: bonds (distance) C4'-P energy: -56.882 bonds (distance) P-C4' energy: -48.735 flat angles C4'-P-C4' energy: -47.090 flat angles P-C4'-P energy: -24.617 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -263.379156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.379156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.379156 (E_RNA) where: Base-Base interactions energy: -87.945 where: short stacking energy: -66.354 Base-Backbone interact. energy: -0.934 local terms energy: -174.500365 where: bonds (distance) C4'-P energy: -43.975 bonds (distance) P-C4' energy: -56.267 flat angles C4'-P-C4' energy: -52.062 flat angles P-C4'-P energy: -35.714 tors. eta vs tors. theta energy: 13.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1001.602540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.602540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.602540 (E_RNA) where: Base-Base interactions energy: -674.994 where: short stacking energy: -303.110 Base-Backbone interact. energy: -1.525 local terms energy: -325.083090 where: bonds (distance) C4'-P energy: -67.569 bonds (distance) P-C4' energy: -60.746 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -54.747 tors. eta vs tors. theta energy: -73.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -921.040471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.040471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.040471 (E_RNA) where: Base-Base interactions energy: -608.459 where: short stacking energy: -269.303 Base-Backbone interact. energy: 2.634 local terms energy: -315.215502 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -73.169 flat angles C4'-P-C4' energy: -69.742 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -68.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -934.848135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.848135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.848135 (E_RNA) where: Base-Base interactions energy: -628.173 where: short stacking energy: -271.584 Base-Backbone interact. energy: -1.789 local terms energy: -304.885846 where: bonds (distance) C4'-P energy: -62.200 bonds (distance) P-C4' energy: -62.655 flat angles C4'-P-C4' energy: -67.674 flat angles P-C4'-P energy: -44.355 tors. eta vs tors. theta energy: -68.001 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: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -859.846105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.846105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.846105 (E_RNA) where: Base-Base interactions energy: -552.178 where: short stacking energy: -239.255 Base-Backbone interact. energy: -1.766 local terms energy: -305.901504 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -62.587 flat angles C4'-P-C4' energy: -60.252 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: -76.726 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: 18 Temperature: 1.100000 Total energy: -703.266480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.266480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.266480 (E_RNA) where: Base-Base interactions energy: -439.283 where: short stacking energy: -191.083 Base-Backbone interact. energy: -0.420 local terms energy: -263.562899 where: bonds (distance) C4'-P energy: -64.493 bonds (distance) P-C4' energy: -52.812 flat angles C4'-P-C4' energy: -55.238 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -41.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -637.456813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.456813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.456813 (E_RNA) where: Base-Base interactions energy: -386.998 where: short stacking energy: -179.066 Base-Backbone interact. energy: -1.848 local terms energy: -248.611034 where: bonds (distance) C4'-P energy: -62.865 bonds (distance) P-C4' energy: -54.590 flat angles C4'-P-C4' energy: -53.190 flat angles P-C4'-P energy: -31.370 tors. eta vs tors. theta energy: -46.596 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: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -526.384838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.384838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.384838 (E_RNA) where: Base-Base interactions energy: -313.540 where: short stacking energy: -159.020 Base-Backbone interact. energy: -0.745 local terms energy: -212.100170 where: bonds (distance) C4'-P energy: -53.441 bonds (distance) P-C4' energy: -59.351 flat angles C4'-P-C4' energy: -54.742 flat angles P-C4'-P energy: -19.827 tors. eta vs tors. theta energy: -24.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -466.294710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.294710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.294710 (E_RNA) where: Base-Base interactions energy: -235.273 where: short stacking energy: -128.932 Base-Backbone interact. energy: -0.333 local terms energy: -230.688691 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -62.411 flat angles C4'-P-C4' energy: -57.488 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -16.450 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: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -294.687803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.687803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.687803 (E_RNA) where: Base-Base interactions energy: -129.725 where: short stacking energy: -99.314 Base-Backbone interact. energy: -1.827 local terms energy: -163.136176 where: bonds (distance) C4'-P energy: -39.616 bonds (distance) P-C4' energy: -35.942 flat angles C4'-P-C4' energy: -48.206 flat angles P-C4'-P energy: -31.085 tors. eta vs tors. theta energy: -8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -265.016040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.016040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.016040 (E_RNA) where: Base-Base interactions energy: -94.936 where: short stacking energy: -82.021 Base-Backbone interact. energy: -1.766 local terms energy: -168.314948 where: bonds (distance) C4'-P energy: -61.315 bonds (distance) P-C4' energy: -47.086 flat angles C4'-P-C4' energy: -50.288 flat angles P-C4'-P energy: -17.364 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1014.391612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.391612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.391612 (E_RNA) where: Base-Base interactions energy: -667.033 where: short stacking energy: -297.386 Base-Backbone interact. energy: -1.528 local terms energy: -345.830891 where: bonds (distance) C4'-P energy: -58.876 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -84.280 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: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -910.789451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.789451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.789451 (E_RNA) where: Base-Base interactions energy: -580.605 where: short stacking energy: -276.961 Base-Backbone interact. energy: 2.339 local terms energy: -332.524059 where: bonds (distance) C4'-P energy: -58.184 bonds (distance) P-C4' energy: -69.031 flat angles C4'-P-C4' energy: -78.608 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -76.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -896.188004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.188004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.188004 (E_RNA) where: Base-Base interactions energy: -591.477 where: short stacking energy: -257.281 Base-Backbone interact. energy: -2.206 local terms energy: -302.504998 where: bonds (distance) C4'-P energy: -66.859 bonds (distance) P-C4' energy: -63.745 flat angles C4'-P-C4' energy: -68.692 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: -62.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -775.332241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.332241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.332241 (E_RNA) where: Base-Base interactions energy: -495.226 where: short stacking energy: -235.149 Base-Backbone interact. energy: -1.899 local terms energy: -278.207136 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -58.067 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: -60.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -838.880662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.880662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.880662 (E_RNA) where: Base-Base interactions energy: -547.150 where: short stacking energy: -238.718 Base-Backbone interact. energy: -1.021 local terms energy: -290.710217 where: bonds (distance) C4'-P energy: -50.402 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -41.456 tors. eta vs tors. theta energy: -72.045 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: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -679.274561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.274561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.274561 (E_RNA) where: Base-Base interactions energy: -430.116 where: short stacking energy: -210.879 Base-Backbone interact. energy: -0.657 local terms energy: -248.501903 where: bonds (distance) C4'-P energy: -52.395 bonds (distance) P-C4' energy: -53.235 flat angles C4'-P-C4' energy: -55.799 flat angles P-C4'-P energy: -38.113 tors. eta vs tors. theta energy: -48.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -584.876222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.876222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.876222 (E_RNA) where: Base-Base interactions energy: -348.388 where: short stacking energy: -154.368 Base-Backbone interact. energy: -0.200 local terms energy: -236.288458 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -56.714 flat angles C4'-P-C4' energy: -68.153 flat angles P-C4'-P energy: -25.686 tors. eta vs tors. theta energy: -25.448 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: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -449.136140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.136140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.136140 (E_RNA) where: Base-Base interactions energy: -246.983 where: short stacking energy: -105.707 Base-Backbone interact. energy: 3.719 local terms energy: -205.871978 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -63.024 flat angles C4'-P-C4' energy: -54.252 flat angles P-C4'-P energy: -20.961 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -279.767947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.767947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.767947 (E_RNA) where: Base-Base interactions energy: -96.181 where: short stacking energy: -73.402 Base-Backbone interact. energy: 0.970 local terms energy: -184.556727 where: bonds (distance) C4'-P energy: -48.948 bonds (distance) P-C4' energy: -59.170 flat angles C4'-P-C4' energy: -49.995 flat angles P-C4'-P energy: -26.991 tors. eta vs tors. theta energy: 0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -278.188709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.188709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.188709 (E_RNA) where: Base-Base interactions energy: -98.878 where: short stacking energy: -72.016 Base-Backbone interact. energy: 1.048 local terms energy: -180.359352 where: bonds (distance) C4'-P energy: -50.568 bonds (distance) P-C4' energy: -57.469 flat angles C4'-P-C4' energy: -46.619 flat angles P-C4'-P energy: -26.647 tors. eta vs tors. theta energy: 0.944 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: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1010.319153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.319153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.319153 (E_RNA) where: Base-Base interactions energy: -665.296 where: short stacking energy: -301.541 Base-Backbone interact. energy: -1.302 local terms energy: -343.721576 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -67.410 flat angles C4'-P-C4' energy: -73.345 flat angles P-C4'-P energy: -44.134 tors. eta vs tors. theta energy: -90.600 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: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -915.527868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.527868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.527868 (E_RNA) where: Base-Base interactions energy: -606.980 where: short stacking energy: -297.963 Base-Backbone interact. energy: -0.592 local terms energy: -307.956816 where: bonds (distance) C4'-P energy: -54.401 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -74.201 flat angles P-C4'-P energy: -42.953 tors. eta vs tors. theta energy: -74.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -913.690575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.690575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.690575 (E_RNA) where: Base-Base interactions energy: -588.738 where: short stacking energy: -268.229 Base-Backbone interact. energy: -1.141 local terms energy: -323.811750 where: bonds (distance) C4'-P energy: -64.315 bonds (distance) P-C4' energy: -63.287 flat angles C4'-P-C4' energy: -71.273 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -75.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -820.077766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.077766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.077766 (E_RNA) where: Base-Base interactions energy: -524.121 where: short stacking energy: -249.289 Base-Backbone interact. energy: -0.301 local terms energy: -295.654989 where: bonds (distance) C4'-P energy: -58.454 bonds (distance) P-C4' energy: -57.404 flat angles C4'-P-C4' energy: -77.099 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -59.385 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: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -809.390152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.390152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.390152 (E_RNA) where: Base-Base interactions energy: -523.845 where: short stacking energy: -235.436 Base-Backbone interact. energy: -1.101 local terms energy: -284.443771 where: bonds (distance) C4'-P energy: -61.766 bonds (distance) P-C4' energy: -55.889 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -38.514 tors. eta vs tors. theta energy: -60.618 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: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -612.543232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.543232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.543232 (E_RNA) where: Base-Base interactions energy: -397.880 where: short stacking energy: -177.181 Base-Backbone interact. energy: -1.575 local terms energy: -213.088008 where: bonds (distance) C4'-P energy: -55.925 bonds (distance) P-C4' energy: -51.944 flat angles C4'-P-C4' energy: -47.587 flat angles P-C4'-P energy: -30.735 tors. eta vs tors. theta energy: -26.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -538.245194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.245194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.245194 (E_RNA) where: Base-Base interactions energy: -325.798 where: short stacking energy: -132.452 Base-Backbone interact. energy: -2.146 local terms energy: -210.300844 where: bonds (distance) C4'-P energy: -43.995 bonds (distance) P-C4' energy: -63.184 flat angles C4'-P-C4' energy: -47.710 flat angles P-C4'-P energy: -35.870 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -481.172239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.172239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.172239 (E_RNA) where: Base-Base interactions energy: -259.994 where: short stacking energy: -136.884 Base-Backbone interact. energy: -0.956 local terms energy: -220.222211 where: bonds (distance) C4'-P energy: -50.104 bonds (distance) P-C4' energy: -53.142 flat angles C4'-P-C4' energy: -54.798 flat angles P-C4'-P energy: -33.973 tors. eta vs tors. theta energy: -28.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -298.075149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.075149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.075149 (E_RNA) where: Base-Base interactions energy: -130.877 where: short stacking energy: -86.169 Base-Backbone interact. energy: 2.292 local terms energy: -169.489780 where: bonds (distance) C4'-P energy: -52.454 bonds (distance) P-C4' energy: -43.075 flat angles C4'-P-C4' energy: -52.073 flat angles P-C4'-P energy: -26.564 tors. eta vs tors. theta energy: 4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -289.075430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.075430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.075430 (E_RNA) where: Base-Base interactions energy: -128.876 where: short stacking energy: -101.598 Base-Backbone interact. energy: -1.018 local terms energy: -159.181502 where: bonds (distance) C4'-P energy: -43.580 bonds (distance) P-C4' energy: -49.636 flat angles C4'-P-C4' energy: -32.183 flat angles P-C4'-P energy: -25.731 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -994.281016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.281016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.281016 (E_RNA) where: Base-Base interactions energy: -667.938 where: short stacking energy: -304.636 Base-Backbone interact. energy: -3.389 local terms energy: -322.953363 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -57.550 flat angles P-C4'-P energy: -47.952 tors. eta vs tors. theta energy: -87.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -925.445616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.445616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.445616 (E_RNA) where: Base-Base interactions energy: -612.763 where: short stacking energy: -275.836 Base-Backbone interact. energy: 0.411 local terms energy: -313.093868 where: bonds (distance) C4'-P energy: -70.705 bonds (distance) P-C4' energy: -66.383 flat angles C4'-P-C4' energy: -61.956 flat angles P-C4'-P energy: -37.983 tors. eta vs tors. theta energy: -76.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -871.601261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.601261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.601261 (E_RNA) where: Base-Base interactions energy: -558.494 where: short stacking energy: -283.504 Base-Backbone interact. energy: -2.024 local terms energy: -311.083829 where: bonds (distance) C4'-P energy: -56.551 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -65.897 flat angles P-C4'-P energy: -44.307 tors. eta vs tors. theta energy: -75.913 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: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -868.039641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.039641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.039641 (E_RNA) where: Base-Base interactions energy: -543.696 where: short stacking energy: -264.345 Base-Backbone interact. energy: -0.730 local terms energy: -323.613619 where: bonds (distance) C4'-P energy: -57.614 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -69.432 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -83.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -767.366872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.366872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.366872 (E_RNA) where: Base-Base interactions energy: -476.592 where: short stacking energy: -222.346 Base-Backbone interact. energy: 0.192 local terms energy: -290.966477 where: bonds (distance) C4'-P energy: -60.154 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -64.736 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -51.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -641.376416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.376416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.376416 (E_RNA) where: Base-Base interactions energy: -390.479 where: short stacking energy: -189.786 Base-Backbone interact. energy: -3.291 local terms energy: -247.606419 where: bonds (distance) C4'-P energy: -49.290 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -62.767 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -35.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -597.617713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.617713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.617713 (E_RNA) where: Base-Base interactions energy: -344.843 where: short stacking energy: -183.262 Base-Backbone interact. energy: -1.196 local terms energy: -251.578110 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -60.051 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -38.363 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: 21 Temperature: 1.250000 Total energy: -458.039800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.039800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.039800 (E_RNA) where: Base-Base interactions energy: -247.452 where: short stacking energy: -148.192 Base-Backbone interact. energy: -1.008 local terms energy: -209.579888 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -62.036 flat angles C4'-P-C4' energy: -52.659 flat angles P-C4'-P energy: -27.818 tors. eta vs tors. theta energy: -14.615 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: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -272.770642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.770642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.770642 (E_RNA) where: Base-Base interactions energy: -102.681 where: short stacking energy: -80.522 Base-Backbone interact. energy: -0.679 local terms energy: -169.410598 where: bonds (distance) C4'-P energy: -53.979 bonds (distance) P-C4' energy: -54.252 flat angles C4'-P-C4' energy: -41.057 flat angles P-C4'-P energy: -37.129 tors. eta vs tors. theta energy: 17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -284.661954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.661954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.661954 (E_RNA) where: Base-Base interactions energy: -135.270 where: short stacking energy: -86.322 Base-Backbone interact. energy: -1.033 local terms energy: -148.358574 where: bonds (distance) C4'-P energy: -50.637 bonds (distance) P-C4' energy: -53.090 flat angles C4'-P-C4' energy: -38.646 flat angles P-C4'-P energy: -22.263 tors. eta vs tors. theta energy: 16.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1016.111498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.111498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.111498 (E_RNA) where: Base-Base interactions energy: -660.659 where: short stacking energy: -298.050 Base-Backbone interact. energy: -2.243 local terms energy: -353.209757 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -78.772 flat angles C4'-P-C4' energy: -67.819 flat angles P-C4'-P energy: -51.093 tors. eta vs tors. theta energy: -83.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -913.644718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.644718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.644718 (E_RNA) where: Base-Base interactions energy: -618.345 where: short stacking energy: -259.419 Base-Backbone interact. energy: -1.831 local terms energy: -293.469195 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -61.143 flat angles P-C4'-P energy: -30.512 tors. eta vs tors. theta energy: -78.667 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -914.206336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.206336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.206336 (E_RNA) where: Base-Base interactions energy: -595.779 where: short stacking energy: -252.720 Base-Backbone interact. energy: -2.010 local terms energy: -316.417744 where: bonds (distance) C4'-P energy: -71.044 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -70.673 flat angles P-C4'-P energy: -39.870 tors. eta vs tors. theta energy: -68.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -846.292962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.292962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.292962 (E_RNA) where: Base-Base interactions energy: -561.854 where: short stacking energy: -230.689 Base-Backbone interact. energy: 2.359 local terms energy: -286.798440 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -67.728 flat angles P-C4'-P energy: -39.178 tors. eta vs tors. theta energy: -53.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -802.291237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.291237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.291237 (E_RNA) where: Base-Base interactions energy: -512.467 where: short stacking energy: -246.357 Base-Backbone interact. energy: -1.462 local terms energy: -288.362503 where: bonds (distance) C4'-P energy: -56.099 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -71.513 flat angles P-C4'-P energy: -29.855 tors. eta vs tors. theta energy: -65.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -645.409300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.409300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.409300 (E_RNA) where: Base-Base interactions energy: -373.835 where: short stacking energy: -175.465 Base-Backbone interact. energy: -1.852 local terms energy: -269.722277 where: bonds (distance) C4'-P energy: -59.216 bonds (distance) P-C4' energy: -71.615 flat angles C4'-P-C4' energy: -64.204 flat angles P-C4'-P energy: -39.586 tors. eta vs tors. theta energy: -35.102 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -568.815815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.815815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.815815 (E_RNA) where: Base-Base interactions energy: -351.524 where: short stacking energy: -169.675 Base-Backbone interact. energy: -1.593 local terms energy: -215.699559 where: bonds (distance) C4'-P energy: -55.563 bonds (distance) P-C4' energy: -51.339 flat angles C4'-P-C4' energy: -57.236 flat angles P-C4'-P energy: -22.853 tors. eta vs tors. theta energy: -28.709 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: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -491.887951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.887951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.887951 (E_RNA) where: Base-Base interactions energy: -267.900 where: short stacking energy: -139.315 Base-Backbone interact. energy: 0.550 local terms energy: -224.538183 where: bonds (distance) C4'-P energy: -51.028 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -45.183 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -28.053 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: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -306.517604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.517604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.517604 (E_RNA) where: Base-Base interactions energy: -104.720 where: short stacking energy: -97.871 Base-Backbone interact. energy: -0.794 local terms energy: -201.003693 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -67.575 flat angles C4'-P-C4' energy: -54.715 flat angles P-C4'-P energy: -21.269 tors. eta vs tors. theta energy: -1.224 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -259.779803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.779803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.779803 (E_RNA) where: Base-Base interactions energy: -94.411 where: short stacking energy: -92.474 Base-Backbone interact. energy: 2.913 local terms energy: -168.281298 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -53.484 flat angles C4'-P-C4' energy: -40.941 flat angles P-C4'-P energy: -28.653 tors. eta vs tors. theta energy: 6.869 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: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1029.503543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.503543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.503543 (E_RNA) where: Base-Base interactions energy: -668.613 where: short stacking energy: -290.492 Base-Backbone interact. energy: -3.651 local terms energy: -357.238788 where: bonds (distance) C4'-P energy: -73.249 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -83.336 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: -88.714 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: 23 Temperature: 0.950000 Total energy: -935.318937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.318937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.318937 (E_RNA) where: Base-Base interactions energy: -634.883 where: short stacking energy: -284.217 Base-Backbone interact. energy: 2.648 local terms energy: -303.084032 where: bonds (distance) C4'-P energy: -56.971 bonds (distance) P-C4' energy: -64.953 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -39.181 tors. eta vs tors. theta energy: -80.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -899.339422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.339422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.339422 (E_RNA) where: Base-Base interactions energy: -592.939 where: short stacking energy: -261.785 Base-Backbone interact. energy: -2.932 local terms energy: -303.468653 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -54.907 flat angles C4'-P-C4' energy: -62.242 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -74.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -833.376434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.376434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.376434 (E_RNA) where: Base-Base interactions energy: -545.604 where: short stacking energy: -269.097 Base-Backbone interact. energy: -5.647 local terms energy: -282.125221 where: bonds (distance) C4'-P energy: -58.765 bonds (distance) P-C4' energy: -51.507 flat angles C4'-P-C4' energy: -63.499 flat angles P-C4'-P energy: -38.927 tors. eta vs tors. theta energy: -69.427 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: 23 Temperature: 1.100000 Total energy: -767.764175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.764175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.764175 (E_RNA) where: Base-Base interactions energy: -504.509 where: short stacking energy: -237.385 Base-Backbone interact. energy: -0.606 local terms energy: -262.648781 where: bonds (distance) C4'-P energy: -35.564 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -61.927 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -54.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -698.684128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.684128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.684128 (E_RNA) where: Base-Base interactions energy: -449.050 where: short stacking energy: -213.808 Base-Backbone interact. energy: -2.200 local terms energy: -247.433293 where: bonds (distance) C4'-P energy: -45.674 bonds (distance) P-C4' energy: -52.091 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -37.550 tors. eta vs tors. theta energy: -49.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -510.416475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.416475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.416475 (E_RNA) where: Base-Base interactions energy: -278.058 where: short stacking energy: -147.244 Base-Backbone interact. energy: -1.044 local terms energy: -231.313796 where: bonds (distance) C4'-P energy: -58.209 bonds (distance) P-C4' energy: -55.926 flat angles C4'-P-C4' energy: -63.501 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: -17.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -433.464765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.464765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.464765 (E_RNA) where: Base-Base interactions energy: -219.541 where: short stacking energy: -104.981 Base-Backbone interact. energy: 0.305 local terms energy: -214.228780 where: bonds (distance) C4'-P energy: -62.547 bonds (distance) P-C4' energy: -51.859 flat angles C4'-P-C4' energy: -53.468 flat angles P-C4'-P energy: -31.576 tors. eta vs tors. theta energy: -14.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -294.125310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.125310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.125310 (E_RNA) where: Base-Base interactions energy: -129.114 where: short stacking energy: -91.387 Base-Backbone interact. energy: -0.241 local terms energy: -164.770456 where: bonds (distance) C4'-P energy: -44.325 bonds (distance) P-C4' energy: -52.084 flat angles C4'-P-C4' energy: -52.230 flat angles P-C4'-P energy: -24.026 tors. eta vs tors. theta energy: 7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -261.240841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.240841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.240841 (E_RNA) where: Base-Base interactions energy: -99.558 where: short stacking energy: -83.487 Base-Backbone interact. energy: -4.341 local terms energy: -157.342328 where: bonds (distance) C4'-P energy: -54.140 bonds (distance) P-C4' energy: -50.963 flat angles C4'-P-C4' energy: -44.155 flat angles P-C4'-P energy: -27.611 tors. eta vs tors. theta energy: 19.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1042.756503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.756503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.756503 (E_RNA) where: Base-Base interactions energy: -697.078 where: short stacking energy: -304.861 Base-Backbone interact. energy: -2.548 local terms energy: -343.130718 where: bonds (distance) C4'-P energy: -77.005 bonds (distance) P-C4' energy: -53.567 flat angles C4'-P-C4' energy: -72.143 flat angles P-C4'-P energy: -43.782 tors. eta vs tors. theta energy: -96.633 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -940.176613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.176613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.176613 (E_RNA) where: Base-Base interactions energy: -618.586 where: short stacking energy: -274.043 Base-Backbone interact. energy: -0.701 local terms energy: -320.889445 where: bonds (distance) C4'-P energy: -58.912 bonds (distance) P-C4' energy: -66.853 flat angles C4'-P-C4' energy: -63.992 flat angles P-C4'-P energy: -48.246 tors. eta vs tors. theta energy: -82.886 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: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -890.807514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.807514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.807514 (E_RNA) where: Base-Base interactions energy: -582.404 where: short stacking energy: -250.019 Base-Backbone interact. energy: -2.412 local terms energy: -305.991777 where: bonds (distance) C4'-P energy: -58.247 bonds (distance) P-C4' energy: -73.192 flat angles C4'-P-C4' energy: -69.329 flat angles P-C4'-P energy: -39.912 tors. eta vs tors. theta energy: -65.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -850.985076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.985076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.985076 (E_RNA) where: Base-Base interactions energy: -550.010 where: short stacking energy: -254.186 Base-Backbone interact. energy: -0.938 local terms energy: -300.036847 where: bonds (distance) C4'-P energy: -56.296 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -62.986 flat angles P-C4'-P energy: -47.219 tors. eta vs tors. theta energy: -68.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -826.752560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.752560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.752560 (E_RNA) where: Base-Base interactions energy: -534.215 where: short stacking energy: -265.923 Base-Backbone interact. energy: -0.829 local terms energy: -291.708958 where: bonds (distance) C4'-P energy: -61.458 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -71.344 flat angles P-C4'-P energy: -27.495 tors. eta vs tors. theta energy: -67.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -644.063682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.063682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.063682 (E_RNA) where: Base-Base interactions energy: -400.650 where: short stacking energy: -184.771 Base-Backbone interact. energy: -1.029 local terms energy: -242.384675 where: bonds (distance) C4'-P energy: -61.238 bonds (distance) P-C4' energy: -44.775 flat angles C4'-P-C4' energy: -64.952 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -32.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -519.483525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.483525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.483525 (E_RNA) where: Base-Base interactions energy: -294.027 where: short stacking energy: -153.519 Base-Backbone interact. energy: 0.093 local terms energy: -225.549554 where: bonds (distance) C4'-P energy: -48.010 bonds (distance) P-C4' energy: -59.668 flat angles C4'-P-C4' energy: -62.077 flat angles P-C4'-P energy: -34.674 tors. eta vs tors. theta energy: -21.122 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: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -446.596890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.596890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.596890 (E_RNA) where: Base-Base interactions energy: -217.814 where: short stacking energy: -120.979 Base-Backbone interact. energy: -0.766 local terms energy: -228.016288 where: bonds (distance) C4'-P energy: -54.369 bonds (distance) P-C4' energy: -59.077 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -28.538 tors. eta vs tors. theta energy: -21.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -284.795262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.795262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.795262 (E_RNA) where: Base-Base interactions energy: -83.815 where: short stacking energy: -59.889 Base-Backbone interact. energy: -0.996 local terms energy: -199.984193 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -72.162 flat angles C4'-P-C4' energy: -38.864 flat angles P-C4'-P energy: -27.811 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -268.138937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.138937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.138937 (E_RNA) where: Base-Base interactions energy: -100.635 where: short stacking energy: -75.601 Base-Backbone interact. energy: -1.983 local terms energy: -165.520933 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -43.532 flat angles C4'-P-C4' energy: -38.176 flat angles P-C4'-P energy: -27.618 tors. eta vs tors. theta energy: 5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1018.426106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.426106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.426106 (E_RNA) where: Base-Base interactions energy: -677.355 where: short stacking energy: -289.718 Base-Backbone interact. energy: -2.733 local terms energy: -338.338931 where: bonds (distance) C4'-P energy: -67.221 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -73.668 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -81.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -941.525761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.525761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.525761 (E_RNA) where: Base-Base interactions energy: -608.245 where: short stacking energy: -297.386 Base-Backbone interact. energy: 4.676 local terms energy: -337.956479 where: bonds (distance) C4'-P energy: -60.669 bonds (distance) P-C4' energy: -66.204 flat angles C4'-P-C4' energy: -70.212 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -89.646 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: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -897.530114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.530114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.530114 (E_RNA) where: Base-Base interactions energy: -586.076 where: short stacking energy: -266.555 Base-Backbone interact. energy: -2.386 local terms energy: -309.067995 where: bonds (distance) C4'-P energy: -60.711 bonds (distance) P-C4' energy: -63.645 flat angles C4'-P-C4' energy: -68.804 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -74.984 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: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -833.195722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.195722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.195722 (E_RNA) where: Base-Base interactions energy: -525.991 where: short stacking energy: -239.349 Base-Backbone interact. energy: -1.728 local terms energy: -305.476786 where: bonds (distance) C4'-P energy: -62.280 bonds (distance) P-C4' energy: -68.915 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -42.126 tors. eta vs tors. theta energy: -59.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -790.326681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.326681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.326681 (E_RNA) where: Base-Base interactions energy: -505.155 where: short stacking energy: -235.784 Base-Backbone interact. energy: 0.046 local terms energy: -285.216906 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -68.795 flat angles C4'-P-C4' energy: -60.234 flat angles P-C4'-P energy: -36.612 tors. eta vs tors. theta energy: -61.749 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: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -719.805002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.805002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.805002 (E_RNA) where: Base-Base interactions energy: -458.778 where: short stacking energy: -204.334 Base-Backbone interact. energy: 0.469 local terms energy: -261.496811 where: bonds (distance) C4'-P energy: -50.851 bonds (distance) P-C4' energy: -58.351 flat angles C4'-P-C4' energy: -60.709 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: -45.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -516.013112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.013112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.013112 (E_RNA) where: Base-Base interactions energy: -293.025 where: short stacking energy: -170.055 Base-Backbone interact. energy: -0.710 local terms energy: -222.277755 where: bonds (distance) C4'-P energy: -60.384 bonds (distance) P-C4' energy: -54.799 flat angles C4'-P-C4' energy: -55.111 flat angles P-C4'-P energy: -32.640 tors. eta vs tors. theta energy: -19.345 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: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -412.673545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.673545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.673545 (E_RNA) where: Base-Base interactions energy: -226.387 where: short stacking energy: -125.478 Base-Backbone interact. energy: 1.061 local terms energy: -187.347696 where: bonds (distance) C4'-P energy: -49.266 bonds (distance) P-C4' energy: -40.822 flat angles C4'-P-C4' energy: -49.069 flat angles P-C4'-P energy: -33.177 tors. eta vs tors. theta energy: -15.014 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: 7 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -308.089232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.089232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.089232 (E_RNA) where: Base-Base interactions energy: -118.774 where: short stacking energy: -84.684 Base-Backbone interact. energy: 0.883 local terms energy: -190.198082 where: bonds (distance) C4'-P energy: -58.583 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -45.810 flat angles P-C4'-P energy: -21.175 tors. eta vs tors. theta energy: 3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -302.116022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.116022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.116022 (E_RNA) where: Base-Base interactions energy: -142.022 where: short stacking energy: -91.379 Base-Backbone interact. energy: -2.097 local terms energy: -157.997631 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -35.689 flat angles P-C4'-P energy: -25.425 tors. eta vs tors. theta energy: 9.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1030.130892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.130892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.130892 (E_RNA) where: Base-Base interactions energy: -683.634 where: short stacking energy: -302.578 Base-Backbone interact. energy: 0.048 local terms energy: -346.545316 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -68.590 flat angles C4'-P-C4' energy: -74.469 flat angles P-C4'-P energy: -50.993 tors. eta vs tors. theta energy: -85.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -971.339232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.339232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.339232 (E_RNA) where: Base-Base interactions energy: -626.896 where: short stacking energy: -307.822 Base-Backbone interact. energy: 0.965 local terms energy: -345.407501 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -44.688 tors. eta vs tors. theta energy: -91.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -912.745938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.745938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.745938 (E_RNA) where: Base-Base interactions energy: -599.751 where: short stacking energy: -267.012 Base-Backbone interact. energy: 0.107 local terms energy: -313.101884 where: bonds (distance) C4'-P energy: -59.419 bonds (distance) P-C4' energy: -69.857 flat angles C4'-P-C4' energy: -74.146 flat angles P-C4'-P energy: -38.089 tors. eta vs tors. theta energy: -71.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -827.136236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.136236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.136236 (E_RNA) where: Base-Base interactions energy: -543.720 where: short stacking energy: -256.847 Base-Backbone interact. energy: -1.479 local terms energy: -281.937329 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -61.539 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: -64.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -781.318772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.318772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.318772 (E_RNA) where: Base-Base interactions energy: -501.982 where: short stacking energy: -254.911 Base-Backbone interact. energy: 2.749 local terms energy: -282.085796 where: bonds (distance) C4'-P energy: -44.127 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -60.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -736.228472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.228472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.228472 (E_RNA) where: Base-Base interactions energy: -479.980 where: short stacking energy: -213.057 Base-Backbone interact. energy: -0.646 local terms energy: -255.601978 where: bonds (distance) C4'-P energy: -48.922 bonds (distance) P-C4' energy: -62.530 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -31.346 tors. eta vs tors. theta energy: -50.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -485.186121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.186121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.186121 (E_RNA) where: Base-Base interactions energy: -252.322 where: short stacking energy: -133.524 Base-Backbone interact. energy: -1.229 local terms energy: -231.634842 where: bonds (distance) C4'-P energy: -52.708 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -56.568 flat angles P-C4'-P energy: -36.464 tors. eta vs tors. theta energy: -20.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -406.278166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.278166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.278166 (E_RNA) where: Base-Base interactions energy: -201.466 where: short stacking energy: -140.486 Base-Backbone interact. energy: -1.264 local terms energy: -203.548546 where: bonds (distance) C4'-P energy: -53.041 bonds (distance) P-C4' energy: -45.628 flat angles C4'-P-C4' energy: -58.467 flat angles P-C4'-P energy: -28.088 tors. eta vs tors. theta energy: -18.324 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -341.846548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.846548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.846548 (E_RNA) where: Base-Base interactions energy: -149.252 where: short stacking energy: -99.467 Base-Backbone interact. energy: 1.208 local terms energy: -193.802668 where: bonds (distance) C4'-P energy: -47.947 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -52.570 flat angles P-C4'-P energy: -33.530 tors. eta vs tors. theta energy: 2.725 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: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -347.366472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.366472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.366472 (E_RNA) where: Base-Base interactions energy: -196.349 where: short stacking energy: -111.114 Base-Backbone interact. energy: 1.191 local terms energy: -152.207912 where: bonds (distance) C4'-P energy: -35.805 bonds (distance) P-C4' energy: -53.535 flat angles C4'-P-C4' energy: -34.915 flat angles P-C4'-P energy: -25.930 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1047.959726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.959726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.959726 (E_RNA) where: Base-Base interactions energy: -719.917 where: short stacking energy: -322.092 Base-Backbone interact. energy: 0.721 local terms energy: -328.763229 where: bonds (distance) C4'-P energy: -59.842 bonds (distance) P-C4' energy: -59.353 flat angles C4'-P-C4' energy: -68.870 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: -93.181 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: 27 Temperature: 0.950000 Total energy: -996.545285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.545285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.545285 (E_RNA) where: Base-Base interactions energy: -659.632 where: short stacking energy: -295.233 Base-Backbone interact. energy: 3.903 local terms energy: -340.816884 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -71.052 flat angles C4'-P-C4' energy: -72.482 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: -85.917 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -889.675192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.675192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.675192 (E_RNA) where: Base-Base interactions energy: -598.628 where: short stacking energy: -263.947 Base-Backbone interact. energy: 3.405 local terms energy: -294.452669 where: bonds (distance) C4'-P energy: -58.772 bonds (distance) P-C4' energy: -62.008 flat angles C4'-P-C4' energy: -60.815 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -62.979 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: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -834.942996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.942996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.942996 (E_RNA) where: Base-Base interactions energy: -530.507 where: short stacking energy: -225.853 Base-Backbone interact. energy: -0.087 local terms energy: -304.348355 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -62.221 flat angles C4'-P-C4' energy: -65.651 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: -63.196 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: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -806.623743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.623743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.623743 (E_RNA) where: Base-Base interactions energy: -517.656 where: short stacking energy: -228.001 Base-Backbone interact. energy: -0.692 local terms energy: -288.275329 where: bonds (distance) C4'-P energy: -65.658 bonds (distance) P-C4' energy: -60.135 flat angles C4'-P-C4' energy: -70.768 flat angles P-C4'-P energy: -40.152 tors. eta vs tors. theta energy: -51.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -759.124941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.124941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.124941 (E_RNA) where: Base-Base interactions energy: -502.015 where: short stacking energy: -220.746 Base-Backbone interact. energy: -1.318 local terms energy: -255.791183 where: bonds (distance) C4'-P energy: -50.389 bonds (distance) P-C4' energy: -60.787 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -28.783 tors. eta vs tors. theta energy: -57.678 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: 27 Temperature: 1.200000 Total energy: -551.648425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.648425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.648425 (E_RNA) where: Base-Base interactions energy: -307.522 where: short stacking energy: -145.480 Base-Backbone interact. energy: -1.537 local terms energy: -242.589888 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -60.842 flat angles C4'-P-C4' energy: -58.824 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -28.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -342.691323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.691323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.691323 (E_RNA) where: Base-Base interactions energy: -135.629 where: short stacking energy: -78.958 Base-Backbone interact. energy: 0.116 local terms energy: -207.177955 where: bonds (distance) C4'-P energy: -53.210 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -50.288 flat angles P-C4'-P energy: -38.260 tors. eta vs tors. theta energy: -7.456 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -327.814920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.814920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.814920 (E_RNA) where: Base-Base interactions energy: -133.798 where: short stacking energy: -84.296 Base-Backbone interact. energy: -0.900 local terms energy: -193.116413 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -55.157 flat angles P-C4'-P energy: -32.850 tors. eta vs tors. theta energy: 11.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -390.421270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.421270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.421270 (E_RNA) where: Base-Base interactions energy: -201.549 where: short stacking energy: -105.473 Base-Backbone interact. energy: -1.200 local terms energy: -187.671457 where: bonds (distance) C4'-P energy: -48.240 bonds (distance) P-C4' energy: -63.677 flat angles C4'-P-C4' energy: -47.123 flat angles P-C4'-P energy: -22.819 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1061.969324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.969324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.969324 (E_RNA) where: Base-Base interactions energy: -705.412 where: short stacking energy: -313.778 Base-Backbone interact. energy: -0.982 local terms energy: -355.574977 where: bonds (distance) C4'-P energy: -72.224 bonds (distance) P-C4' energy: -70.113 flat angles C4'-P-C4' energy: -71.310 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -90.189 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -996.168391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.168391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.168391 (E_RNA) where: Base-Base interactions energy: -660.205 where: short stacking energy: -315.375 Base-Backbone interact. energy: -2.850 local terms energy: -333.113232 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -69.907 flat angles P-C4'-P energy: -39.612 tors. eta vs tors. theta energy: -97.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -898.516999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.516999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.516999 (E_RNA) where: Base-Base interactions energy: -587.039 where: short stacking energy: -259.998 Base-Backbone interact. energy: -1.789 local terms energy: -309.688405 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -69.461 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: -78.111 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: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -838.602537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.602537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.602537 (E_RNA) where: Base-Base interactions energy: -529.116 where: short stacking energy: -255.532 Base-Backbone interact. energy: -1.137 local terms energy: -308.349911 where: bonds (distance) C4'-P energy: -66.522 bonds (distance) P-C4' energy: -62.937 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -73.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -827.071856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.071856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.071856 (E_RNA) where: Base-Base interactions energy: -526.226 where: short stacking energy: -251.795 Base-Backbone interact. energy: -1.349 local terms energy: -299.496915 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -62.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -745.557271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.557271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.557271 (E_RNA) where: Base-Base interactions energy: -492.917 where: short stacking energy: -233.019 Base-Backbone interact. energy: 2.455 local terms energy: -255.095481 where: bonds (distance) C4'-P energy: -54.215 bonds (distance) P-C4' energy: -57.035 flat angles C4'-P-C4' energy: -56.364 flat angles P-C4'-P energy: -32.432 tors. eta vs tors. theta energy: -55.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -614.603114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.603114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.603114 (E_RNA) where: Base-Base interactions energy: -353.579 where: short stacking energy: -185.914 Base-Backbone interact. energy: -0.648 local terms energy: -260.375837 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -68.299 flat angles C4'-P-C4' energy: -48.211 flat angles P-C4'-P energy: -41.281 tors. eta vs tors. theta energy: -43.413 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: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -322.051802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.051802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.051802 (E_RNA) where: Base-Base interactions energy: -120.419 where: short stacking energy: -92.082 Base-Backbone interact. energy: -1.767 local terms energy: -199.865958 where: bonds (distance) C4'-P energy: -54.707 bonds (distance) P-C4' energy: -58.963 flat angles C4'-P-C4' energy: -43.046 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -423.399344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.399344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.399344 (E_RNA) where: Base-Base interactions energy: -240.107 where: short stacking energy: -128.869 Base-Backbone interact. energy: 0.325 local terms energy: -183.617283 where: bonds (distance) C4'-P energy: -33.540 bonds (distance) P-C4' energy: -59.320 flat angles C4'-P-C4' energy: -59.922 flat angles P-C4'-P energy: -28.457 tors. eta vs tors. theta energy: -2.379 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: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -258.129865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.129865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.129865 (E_RNA) where: Base-Base interactions energy: -95.752 where: short stacking energy: -70.703 Base-Backbone interact. energy: 3.068 local terms energy: -165.446550 where: bonds (distance) C4'-P energy: -55.088 bonds (distance) P-C4' energy: -36.431 flat angles C4'-P-C4' energy: -45.108 flat angles P-C4'-P energy: -32.671 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: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1067.725551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.725551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.725551 (E_RNA) where: Base-Base interactions energy: -720.901 where: short stacking energy: -329.124 Base-Backbone interact. energy: -1.805 local terms energy: -345.019573 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -93.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -994.195653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.195653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.195653 (E_RNA) where: Base-Base interactions energy: -649.032 where: short stacking energy: -308.366 Base-Backbone interact. energy: 0.524 local terms energy: -345.687375 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -64.180 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -49.409 tors. eta vs tors. theta energy: -95.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -866.078950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.078950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.078950 (E_RNA) where: Base-Base interactions energy: -568.811 where: short stacking energy: -235.972 Base-Backbone interact. energy: -2.626 local terms energy: -294.642197 where: bonds (distance) C4'-P energy: -63.763 bonds (distance) P-C4' energy: -66.692 flat angles C4'-P-C4' energy: -65.165 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -64.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -832.614079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.614079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.614079 (E_RNA) where: Base-Base interactions energy: -544.650 where: short stacking energy: -243.765 Base-Backbone interact. energy: -0.444 local terms energy: -287.519449 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -60.339 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: -59.694 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: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -817.848729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.848729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.848729 (E_RNA) where: Base-Base interactions energy: -524.822 where: short stacking energy: -240.966 Base-Backbone interact. energy: -0.203 local terms energy: -292.824145 where: bonds (distance) C4'-P energy: -53.854 bonds (distance) P-C4' energy: -71.602 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: -62.965 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: 6, replica: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -721.837066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.837066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.837066 (E_RNA) where: Base-Base interactions energy: -451.854 where: short stacking energy: -205.344 Base-Backbone interact. energy: -3.182 local terms energy: -266.800589 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -60.822 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -39.601 tors. eta vs tors. theta energy: -46.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -595.881427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.881427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.881427 (E_RNA) where: Base-Base interactions energy: -352.038 where: short stacking energy: -190.561 Base-Backbone interact. energy: 0.904 local terms energy: -244.747071 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -54.512 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -36.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -429.216209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.216209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.216209 (E_RNA) where: Base-Base interactions energy: -232.771 where: short stacking energy: -131.487 Base-Backbone interact. energy: 0.954 local terms energy: -197.398498 where: bonds (distance) C4'-P energy: -43.563 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -47.371 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -336.706272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.706272 (E_RNA) where: Base-Base interactions energy: -151.624 where: short stacking energy: -91.832 Base-Backbone interact. energy: 1.707 local terms energy: -186.788867 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -42.094 flat angles C4'-P-C4' energy: -47.996 flat angles P-C4'-P energy: -31.293 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: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -271.079926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.079926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.079926 (E_RNA) where: Base-Base interactions energy: -92.319 where: short stacking energy: -82.114 Base-Backbone interact. energy: -1.005 local terms energy: -177.756495 where: bonds (distance) C4'-P energy: -51.643 bonds (distance) P-C4' energy: -64.844 flat angles C4'-P-C4' energy: -46.233 flat angles P-C4'-P energy: -19.284 tors. eta vs tors. theta energy: 4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1069.377366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.377366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.377366 (E_RNA) where: Base-Base interactions energy: -722.371 where: short stacking energy: -323.616 Base-Backbone interact. energy: -1.738 local terms energy: -345.268632 where: bonds (distance) C4'-P energy: -62.035 bonds (distance) P-C4' energy: -64.281 flat angles C4'-P-C4' energy: -75.873 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: -94.657 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -972.154503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.154503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.154503 (E_RNA) where: Base-Base interactions energy: -639.796 where: short stacking energy: -317.799 Base-Backbone interact. energy: -1.306 local terms energy: -331.052928 where: bonds (distance) C4'-P energy: -55.012 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -70.625 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -89.523 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: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -871.278337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.278337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.278337 (E_RNA) where: Base-Base interactions energy: -591.435 where: short stacking energy: -262.301 Base-Backbone interact. energy: -1.392 local terms energy: -278.451662 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -59.172 flat angles C4'-P-C4' energy: -51.539 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -68.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -791.871875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.871875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.871875 (E_RNA) where: Base-Base interactions energy: -517.235 where: short stacking energy: -228.782 Base-Backbone interact. energy: -1.157 local terms energy: -273.480317 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -49.150 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: -48.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -818.517284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.517284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.517284 (E_RNA) where: Base-Base interactions energy: -535.853 where: short stacking energy: -232.657 Base-Backbone interact. energy: -3.237 local terms energy: -279.427335 where: bonds (distance) C4'-P energy: -50.582 bonds (distance) P-C4' energy: -64.810 flat angles C4'-P-C4' energy: -68.279 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -57.092 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: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -699.204925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.204925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.204925 (E_RNA) where: Base-Base interactions energy: -442.531 where: short stacking energy: -211.351 Base-Backbone interact. energy: -1.803 local terms energy: -254.870555 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -59.874 flat angles C4'-P-C4' energy: -54.125 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -51.737 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: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -511.145893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.145893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.145893 (E_RNA) where: Base-Base interactions energy: -294.690 where: short stacking energy: -151.579 Base-Backbone interact. energy: 0.926 local terms energy: -217.381807 where: bonds (distance) C4'-P energy: -54.524 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -50.371 flat angles P-C4'-P energy: -33.366 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -506.390278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.390278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.390278 (E_RNA) where: Base-Base interactions energy: -279.141 where: short stacking energy: -136.775 Base-Backbone interact. energy: -1.440 local terms energy: -225.808895 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -64.060 flat angles C4'-P-C4' energy: -55.745 flat angles P-C4'-P energy: -36.425 tors. eta vs tors. theta energy: -12.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -373.130843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.130843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.130843 (E_RNA) where: Base-Base interactions energy: -195.741 where: short stacking energy: -94.647 Base-Backbone interact. energy: 2.169 local terms energy: -179.558864 where: bonds (distance) C4'-P energy: -48.753 bonds (distance) P-C4' energy: -60.697 flat angles C4'-P-C4' energy: -34.069 flat angles P-C4'-P energy: -30.544 tors. eta vs tors. theta energy: -5.496 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: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -275.769343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.769343 (E_RNA) where: Base-Base interactions energy: -99.328 where: short stacking energy: -77.245 Base-Backbone interact. energy: -0.216 local terms energy: -176.225648 where: bonds (distance) C4'-P energy: -51.868 bonds (distance) P-C4' energy: -54.561 flat angles C4'-P-C4' energy: -53.495 flat angles P-C4'-P energy: -18.734 tors. eta vs tors. theta energy: 2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1038.876320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.876320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.876320 (E_RNA) where: Base-Base interactions energy: -715.825 where: short stacking energy: -322.971 Base-Backbone interact. energy: -0.582 local terms energy: -322.469737 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -58.412 flat angles C4'-P-C4' energy: -71.256 flat angles P-C4'-P energy: -46.106 tors. eta vs tors. theta energy: -89.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -989.918678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.918678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.918678 (E_RNA) where: Base-Base interactions energy: -653.842 where: short stacking energy: -293.753 Base-Backbone interact. energy: -1.699 local terms energy: -334.377293 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -78.970 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -84.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -864.200300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.200300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.200300 (E_RNA) where: Base-Base interactions energy: -556.060 where: short stacking energy: -263.145 Base-Backbone interact. energy: -0.567 local terms energy: -307.573139 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -54.618 flat angles C4'-P-C4' energy: -75.139 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -66.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -850.594243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.594243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.594243 (E_RNA) where: Base-Base interactions energy: -560.063 where: short stacking energy: -241.452 Base-Backbone interact. energy: -3.531 local terms energy: -287.000416 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -69.045 flat angles P-C4'-P energy: -34.101 tors. eta vs tors. theta energy: -70.607 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: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -758.840166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.840166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.840166 (E_RNA) where: Base-Base interactions energy: -497.622 where: short stacking energy: -221.253 Base-Backbone interact. energy: -2.393 local terms energy: -258.825091 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -51.697 flat angles P-C4'-P energy: -45.622 tors. eta vs tors. theta energy: -43.518 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -712.976853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.976853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.976853 (E_RNA) where: Base-Base interactions energy: -436.377 where: short stacking energy: -208.531 Base-Backbone interact. energy: -0.708 local terms energy: -275.892134 where: bonds (distance) C4'-P energy: -59.419 bonds (distance) P-C4' energy: -53.455 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -46.988 tors. eta vs tors. theta energy: -49.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -530.205179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.205179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.205179 (E_RNA) where: Base-Base interactions energy: -306.770 where: short stacking energy: -168.658 Base-Backbone interact. energy: -1.414 local terms energy: -222.020776 where: bonds (distance) C4'-P energy: -53.666 bonds (distance) P-C4' energy: -62.689 flat angles C4'-P-C4' energy: -60.791 flat angles P-C4'-P energy: -24.848 tors. eta vs tors. theta energy: -20.027 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -438.653091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.653091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.653091 (E_RNA) where: Base-Base interactions energy: -226.280 where: short stacking energy: -116.300 Base-Backbone interact. energy: 2.225 local terms energy: -214.597990 where: bonds (distance) C4'-P energy: -52.655 bonds (distance) P-C4' energy: -49.967 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -31.791 tors. eta vs tors. theta energy: -12.014 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: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -485.513336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.513336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.513336 (E_RNA) where: Base-Base interactions energy: -287.030 where: short stacking energy: -130.676 Base-Backbone interact. energy: -0.025 local terms energy: -198.458376 where: bonds (distance) C4'-P energy: -51.397 bonds (distance) P-C4' energy: -46.032 flat angles C4'-P-C4' energy: -50.589 flat angles P-C4'-P energy: -31.236 tors. eta vs tors. theta energy: -19.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -279.674792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.674792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.674792 (E_RNA) where: Base-Base interactions energy: -102.367 where: short stacking energy: -81.596 Base-Backbone interact. energy: 0.726 local terms energy: -178.034118 where: bonds (distance) C4'-P energy: -52.346 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -44.220 flat angles P-C4'-P energy: -27.343 tors. eta vs tors. theta energy: 2.987 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: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -994.513008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.513008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.513008 (E_RNA) where: Base-Base interactions energy: -654.709 where: short stacking energy: -311.942 Base-Backbone interact. energy: 1.613 local terms energy: -341.417195 where: bonds (distance) C4'-P energy: -61.334 bonds (distance) P-C4' energy: -61.746 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -54.937 tors. eta vs tors. theta energy: -92.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1021.408994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.408994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.408994 (E_RNA) where: Base-Base interactions energy: -679.251 where: short stacking energy: -309.060 Base-Backbone interact. energy: -1.126 local terms energy: -341.031882 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -62.727 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -53.057 tors. eta vs tors. theta energy: -89.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -881.169327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.169327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.169327 (E_RNA) where: Base-Base interactions energy: -583.823 where: short stacking energy: -271.094 Base-Backbone interact. energy: -2.106 local terms energy: -295.240854 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -54.765 flat angles C4'-P-C4' energy: -71.105 flat angles P-C4'-P energy: -36.697 tors. eta vs tors. theta energy: -68.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -815.049012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.049012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.049012 (E_RNA) where: Base-Base interactions energy: -517.428 where: short stacking energy: -218.874 Base-Backbone interact. energy: -1.276 local terms energy: -296.344664 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -57.110 flat angles C4'-P-C4' energy: -63.519 flat angles P-C4'-P energy: -48.214 tors. eta vs tors. theta energy: -59.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -749.111424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.111424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.111424 (E_RNA) where: Base-Base interactions energy: -482.814 where: short stacking energy: -242.933 Base-Backbone interact. energy: -1.350 local terms energy: -264.947142 where: bonds (distance) C4'-P energy: -37.169 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -63.636 flat angles P-C4'-P energy: -38.688 tors. eta vs tors. theta energy: -64.552 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: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -746.639690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.639690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.639690 (E_RNA) where: Base-Base interactions energy: -487.083 where: short stacking energy: -222.834 Base-Backbone interact. energy: -0.478 local terms energy: -259.078378 where: bonds (distance) C4'-P energy: -47.085 bonds (distance) P-C4' energy: -59.446 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -49.968 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: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -556.609919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.609919 (E_RNA) where: Base-Base interactions energy: -326.553 where: short stacking energy: -176.046 Base-Backbone interact. energy: -0.432 local terms energy: -229.625555 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -54.604 flat angles C4'-P-C4' energy: -51.981 flat angles P-C4'-P energy: -29.518 tors. eta vs tors. theta energy: -39.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -499.754741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.754741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.754741 (E_RNA) where: Base-Base interactions energy: -276.077 where: short stacking energy: -152.034 Base-Backbone interact. energy: -1.563 local terms energy: -222.114517 where: bonds (distance) C4'-P energy: -48.358 bonds (distance) P-C4' energy: -55.857 flat angles C4'-P-C4' energy: -52.581 flat angles P-C4'-P energy: -42.078 tors. eta vs tors. theta energy: -23.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -486.392782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.392782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.392782 (E_RNA) where: Base-Base interactions energy: -272.877 where: short stacking energy: -135.425 Base-Backbone interact. energy: 1.663 local terms energy: -215.178920 where: bonds (distance) C4'-P energy: -51.854 bonds (distance) P-C4' energy: -55.054 flat angles C4'-P-C4' energy: -64.008 flat angles P-C4'-P energy: -29.039 tors. eta vs tors. theta energy: -15.224 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: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -262.491892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.491892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.491892 (E_RNA) where: Base-Base interactions energy: -103.305 where: short stacking energy: -72.271 Base-Backbone interact. energy: -0.619 local terms energy: -158.568131 where: bonds (distance) C4'-P energy: -50.111 bonds (distance) P-C4' energy: -56.814 flat angles C4'-P-C4' energy: -28.493 flat angles P-C4'-P energy: -25.829 tors. eta vs tors. theta energy: 2.680 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: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1021.572356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.572356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.572356 (E_RNA) where: Base-Base interactions energy: -675.318 where: short stacking energy: -334.385 Base-Backbone interact. energy: -0.726 local terms energy: -345.528099 where: bonds (distance) C4'-P energy: -60.967 bonds (distance) P-C4' energy: -58.689 flat angles C4'-P-C4' energy: -78.045 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -91.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1018.509943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.509943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.509943 (E_RNA) where: Base-Base interactions energy: -691.091 where: short stacking energy: -299.178 Base-Backbone interact. energy: -0.142 local terms energy: -327.276655 where: bonds (distance) C4'-P energy: -64.938 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -63.598 flat angles P-C4'-P energy: -49.327 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -938.507248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.507248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.507248 (E_RNA) where: Base-Base interactions energy: -623.404 where: short stacking energy: -264.621 Base-Backbone interact. energy: -0.398 local terms energy: -314.705524 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -70.242 flat angles C4'-P-C4' energy: -71.911 flat angles P-C4'-P energy: -43.700 tors. eta vs tors. theta energy: -64.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -837.169825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.169825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.169825 (E_RNA) where: Base-Base interactions energy: -534.624 where: short stacking energy: -244.137 Base-Backbone interact. energy: -2.585 local terms energy: -299.961129 where: bonds (distance) C4'-P energy: -69.249 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -54.016 flat angles P-C4'-P energy: -52.225 tors. eta vs tors. theta energy: -62.679 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: 33 Temperature: 1.100000 Total energy: -743.636926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.636926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.636926 (E_RNA) where: Base-Base interactions energy: -479.190 where: short stacking energy: -225.584 Base-Backbone interact. energy: -0.011 local terms energy: -264.435697 where: bonds (distance) C4'-P energy: -55.764 bonds (distance) P-C4' energy: -47.449 flat angles C4'-P-C4' energy: -68.616 flat angles P-C4'-P energy: -34.896 tors. eta vs tors. theta energy: -57.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -714.015862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.015862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.015862 (E_RNA) where: Base-Base interactions energy: -442.417 where: short stacking energy: -210.086 Base-Backbone interact. energy: -0.998 local terms energy: -270.601266 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -61.986 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -39.840 tors. eta vs tors. theta energy: -49.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -553.515939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.515939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.515939 (E_RNA) where: Base-Base interactions energy: -338.667 where: short stacking energy: -164.300 Base-Backbone interact. energy: -1.364 local terms energy: -213.485009 where: bonds (distance) C4'-P energy: -54.551 bonds (distance) P-C4' energy: -41.803 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -34.353 tors. eta vs tors. theta energy: -22.696 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: 33 Temperature: 1.250000 Total energy: -415.189228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.189228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.189228 (E_RNA) where: Base-Base interactions energy: -221.445 where: short stacking energy: -131.046 Base-Backbone interact. energy: -1.803 local terms energy: -191.941377 where: bonds (distance) C4'-P energy: -49.331 bonds (distance) P-C4' energy: -53.315 flat angles C4'-P-C4' energy: -48.087 flat angles P-C4'-P energy: -29.259 tors. eta vs tors. theta energy: -11.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -431.974042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.974042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.974042 (E_RNA) where: Base-Base interactions energy: -258.086 where: short stacking energy: -133.377 Base-Backbone interact. energy: -0.894 local terms energy: -172.994169 where: bonds (distance) C4'-P energy: -44.489 bonds (distance) P-C4' energy: -55.457 flat angles C4'-P-C4' energy: -26.505 flat angles P-C4'-P energy: -26.572 tors. eta vs tors. theta energy: -19.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -272.127349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.127349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.127349 (E_RNA) where: Base-Base interactions energy: -100.922 where: short stacking energy: -69.451 Base-Backbone interact. energy: 3.587 local terms energy: -174.792480 where: bonds (distance) C4'-P energy: -57.725 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -42.665 flat angles P-C4'-P energy: -24.618 tors. eta vs tors. theta energy: 7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1041.276733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.276733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.276733 (E_RNA) where: Base-Base interactions energy: -709.339 where: short stacking energy: -310.592 Base-Backbone interact. energy: -1.074 local terms energy: -330.863765 where: bonds (distance) C4'-P energy: -53.867 bonds (distance) P-C4' energy: -68.441 flat angles C4'-P-C4' energy: -68.860 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -98.194 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: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -978.690600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.690600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.690600 (E_RNA) where: Base-Base interactions energy: -658.964 where: short stacking energy: -291.918 Base-Backbone interact. energy: -0.919 local terms energy: -318.807620 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -64.860 flat angles C4'-P-C4' energy: -72.755 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -81.885 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: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -937.337165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.337165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.337165 (E_RNA) where: Base-Base interactions energy: -616.771 where: short stacking energy: -287.468 Base-Backbone interact. energy: 2.128 local terms energy: -322.693921 where: bonds (distance) C4'-P energy: -60.883 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -70.859 flat angles P-C4'-P energy: -37.641 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: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -825.791252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.791252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.791252 (E_RNA) where: Base-Base interactions energy: -534.575 where: short stacking energy: -247.388 Base-Backbone interact. energy: -2.350 local terms energy: -288.866471 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -63.934 flat angles C4'-P-C4' energy: -64.288 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -59.149 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: 34 Temperature: 1.100000 Total energy: -741.920036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.920036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.920036 (E_RNA) where: Base-Base interactions energy: -486.188 where: short stacking energy: -234.333 Base-Backbone interact. energy: 0.497 local terms energy: -256.228826 where: bonds (distance) C4'-P energy: -52.881 bonds (distance) P-C4' energy: -48.133 flat angles C4'-P-C4' energy: -56.998 flat angles P-C4'-P energy: -41.694 tors. eta vs tors. theta energy: -56.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -697.266577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.266577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.266577 (E_RNA) where: Base-Base interactions energy: -431.422 where: short stacking energy: -211.926 Base-Backbone interact. energy: 1.510 local terms energy: -267.355161 where: bonds (distance) C4'-P energy: -61.384 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -60.515 flat angles P-C4'-P energy: -38.575 tors. eta vs tors. theta energy: -46.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -599.636704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.636704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.636704 (E_RNA) where: Base-Base interactions energy: -366.367 where: short stacking energy: -172.107 Base-Backbone interact. energy: 0.827 local terms energy: -234.096660 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -56.686 flat angles C4'-P-C4' energy: -66.427 flat angles P-C4'-P energy: -24.744 tors. eta vs tors. theta energy: -33.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -449.466816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.466816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.466816 (E_RNA) where: Base-Base interactions energy: -255.055 where: short stacking energy: -152.251 Base-Backbone interact. energy: 4.989 local terms energy: -199.400275 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -53.385 flat angles C4'-P-C4' energy: -46.469 flat angles P-C4'-P energy: -26.103 tors. eta vs tors. theta energy: -15.318 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: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -421.872477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.872477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.872477 (E_RNA) where: Base-Base interactions energy: -245.762 where: short stacking energy: -128.458 Base-Backbone interact. energy: -0.335 local terms energy: -175.775551 where: bonds (distance) C4'-P energy: -45.366 bonds (distance) P-C4' energy: -52.301 flat angles C4'-P-C4' energy: -47.977 flat angles P-C4'-P energy: -22.504 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -272.394971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.394971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.394971 (E_RNA) where: Base-Base interactions energy: -95.800 where: short stacking energy: -68.763 Base-Backbone interact. energy: 5.390 local terms energy: -181.984614 where: bonds (distance) C4'-P energy: -43.170 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -56.792 flat angles P-C4'-P energy: -28.543 tors. eta vs tors. theta energy: 12.607 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: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1045.448888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.448888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.448888 (E_RNA) where: Base-Base interactions energy: -710.326 where: short stacking energy: -324.641 Base-Backbone interact. energy: -0.758 local terms energy: -334.365122 where: bonds (distance) C4'-P energy: -62.621 bonds (distance) P-C4' energy: -60.952 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -42.044 tors. eta vs tors. theta energy: -95.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -974.581104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.581104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.581104 (E_RNA) where: Base-Base interactions energy: -657.312 where: short stacking energy: -293.581 Base-Backbone interact. energy: 0.101 local terms energy: -317.369703 where: bonds (distance) C4'-P energy: -51.725 bonds (distance) P-C4' energy: -65.674 flat angles C4'-P-C4' energy: -68.565 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -84.128 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: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -954.793993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.793993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.793993 (E_RNA) where: Base-Base interactions energy: -634.568 where: short stacking energy: -269.011 Base-Backbone interact. energy: -0.058 local terms energy: -320.167777 where: bonds (distance) C4'-P energy: -70.276 bonds (distance) P-C4' energy: -69.364 flat angles C4'-P-C4' energy: -73.064 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -64.722 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: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -769.786605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.786605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.786605 (E_RNA) where: Base-Base interactions energy: -488.450 where: short stacking energy: -245.675 Base-Backbone interact. energy: -1.001 local terms energy: -280.336143 where: bonds (distance) C4'-P energy: -52.405 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -57.122 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -66.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -815.816321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.816321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.816321 (E_RNA) where: Base-Base interactions energy: -521.489 where: short stacking energy: -217.951 Base-Backbone interact. energy: 1.987 local terms energy: -296.314028 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -70.953 flat angles C4'-P-C4' energy: -52.212 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -57.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -712.178881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.178881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.178881 (E_RNA) where: Base-Base interactions energy: -464.615 where: short stacking energy: -201.686 Base-Backbone interact. energy: 2.496 local terms energy: -250.059817 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -53.084 flat angles C4'-P-C4' energy: -54.657 flat angles P-C4'-P energy: -34.111 tors. eta vs tors. theta energy: -52.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -549.049782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.049782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.049782 (E_RNA) where: Base-Base interactions energy: -326.241 where: short stacking energy: -157.446 Base-Backbone interact. energy: -0.430 local terms energy: -222.378160 where: bonds (distance) C4'-P energy: -44.426 bonds (distance) P-C4' energy: -54.440 flat angles C4'-P-C4' energy: -60.765 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: -35.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -463.689505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.689505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.689505 (E_RNA) where: Base-Base interactions energy: -260.349 where: short stacking energy: -154.045 Base-Backbone interact. energy: -1.996 local terms energy: -201.344291 where: bonds (distance) C4'-P energy: -49.711 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -51.489 flat angles P-C4'-P energy: -33.325 tors. eta vs tors. theta energy: -14.637 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: 9, replica: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -434.181168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.181168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.181168 (E_RNA) where: Base-Base interactions energy: -232.137 where: short stacking energy: -127.061 Base-Backbone interact. energy: -1.424 local terms energy: -200.620736 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -49.891 flat angles P-C4'-P energy: -25.471 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -334.512087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.512087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.512087 (E_RNA) where: Base-Base interactions energy: -161.170 where: short stacking energy: -87.981 Base-Backbone interact. energy: -2.134 local terms energy: -171.207795 where: bonds (distance) C4'-P energy: -46.807 bonds (distance) P-C4' energy: -51.053 flat angles C4'-P-C4' energy: -47.040 flat angles P-C4'-P energy: -33.107 tors. eta vs tors. theta energy: 6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1040.843399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.843399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.843399 (E_RNA) where: Base-Base interactions energy: -717.165 where: short stacking energy: -320.270 Base-Backbone interact. energy: -1.895 local terms energy: -321.783177 where: bonds (distance) C4'-P energy: -48.021 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -65.842 flat angles P-C4'-P energy: -48.287 tors. eta vs tors. theta energy: -93.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -982.651302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.651302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.651302 (E_RNA) where: Base-Base interactions energy: -661.265 where: short stacking energy: -283.443 Base-Backbone interact. energy: -4.129 local terms energy: -317.257346 where: bonds (distance) C4'-P energy: -70.487 bonds (distance) P-C4' energy: -56.678 flat angles C4'-P-C4' energy: -62.054 flat angles P-C4'-P energy: -50.790 tors. eta vs tors. theta energy: -77.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -965.370432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.370432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.370432 (E_RNA) where: Base-Base interactions energy: -652.647 where: short stacking energy: -266.634 Base-Backbone interact. energy: -3.795 local terms energy: -308.928817 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -66.183 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -39.481 tors. eta vs tors. theta energy: -76.037 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: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -804.212131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.212131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.212131 (E_RNA) where: Base-Base interactions energy: -514.918 where: short stacking energy: -242.984 Base-Backbone interact. energy: -1.727 local terms energy: -287.567656 where: bonds (distance) C4'-P energy: -62.786 bonds (distance) P-C4' energy: -69.288 flat angles C4'-P-C4' energy: -55.472 flat angles P-C4'-P energy: -34.985 tors. eta vs tors. theta energy: -65.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -788.916624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.916624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.916624 (E_RNA) where: Base-Base interactions energy: -502.884 where: short stacking energy: -223.317 Base-Backbone interact. energy: -2.225 local terms energy: -283.807747 where: bonds (distance) C4'-P energy: -64.982 bonds (distance) P-C4' energy: -61.149 flat angles C4'-P-C4' energy: -52.106 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: -61.770 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: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -692.526971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.526971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.526971 (E_RNA) where: Base-Base interactions energy: -442.365 where: short stacking energy: -207.507 Base-Backbone interact. energy: 1.203 local terms energy: -251.364966 where: bonds (distance) C4'-P energy: -47.018 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -36.066 tors. eta vs tors. theta energy: -45.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -476.048048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.048048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.048048 (E_RNA) where: Base-Base interactions energy: -251.721 where: short stacking energy: -152.944 Base-Backbone interact. energy: -0.595 local terms energy: -223.732125 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -54.064 flat angles P-C4'-P energy: -38.290 tors. eta vs tors. theta energy: -8.689 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: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -528.953065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.953065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.953065 (E_RNA) where: Base-Base interactions energy: -291.101 where: short stacking energy: -144.667 Base-Backbone interact. energy: 1.796 local terms energy: -239.648178 where: bonds (distance) C4'-P energy: -60.188 bonds (distance) P-C4' energy: -62.864 flat angles C4'-P-C4' energy: -57.172 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -21.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -399.892503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.892503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.892503 (E_RNA) where: Base-Base interactions energy: -238.421 where: short stacking energy: -139.448 Base-Backbone interact. energy: -1.312 local terms energy: -160.159419 where: bonds (distance) C4'-P energy: -49.055 bonds (distance) P-C4' energy: -36.105 flat angles C4'-P-C4' energy: -52.956 flat angles P-C4'-P energy: -22.988 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -407.013162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.013162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.013162 (E_RNA) where: Base-Base interactions energy: -219.235 where: short stacking energy: -127.206 Base-Backbone interact. energy: -2.522 local terms energy: -185.256379 where: bonds (distance) C4'-P energy: -47.527 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -53.657 flat angles P-C4'-P energy: -16.788 tors. eta vs tors. theta energy: -10.178 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1064.832082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.832082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.832082 (E_RNA) where: Base-Base interactions energy: -721.739 where: short stacking energy: -312.948 Base-Backbone interact. energy: -0.047 local terms energy: -343.046490 where: bonds (distance) C4'-P energy: -60.332 bonds (distance) P-C4' energy: -57.336 flat angles C4'-P-C4' energy: -80.668 flat angles P-C4'-P energy: -47.127 tors. eta vs tors. theta energy: -97.583 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -999.218545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.218545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.218545 (E_RNA) where: Base-Base interactions energy: -663.245 where: short stacking energy: -300.780 Base-Backbone interact. energy: -2.698 local terms energy: -333.275273 where: bonds (distance) C4'-P energy: -58.081 bonds (distance) P-C4' energy: -67.247 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -88.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -976.255630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.255630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.255630 (E_RNA) where: Base-Base interactions energy: -661.644 where: short stacking energy: -284.488 Base-Backbone interact. energy: -4.171 local terms energy: -310.440811 where: bonds (distance) C4'-P energy: -57.732 bonds (distance) P-C4' energy: -59.192 flat angles C4'-P-C4' energy: -66.837 flat angles P-C4'-P energy: -51.089 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: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -812.275203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.275203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.275203 (E_RNA) where: Base-Base interactions energy: -538.462 where: short stacking energy: -253.614 Base-Backbone interact. energy: 0.584 local terms energy: -274.396888 where: bonds (distance) C4'-P energy: -51.543 bonds (distance) P-C4' energy: -47.183 flat angles C4'-P-C4' energy: -68.723 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -68.948 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -759.128653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.128653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.128653 (E_RNA) where: Base-Base interactions energy: -479.265 where: short stacking energy: -219.517 Base-Backbone interact. energy: -0.444 local terms energy: -279.419399 where: bonds (distance) C4'-P energy: -42.808 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -61.713 flat angles P-C4'-P energy: -46.855 tors. eta vs tors. theta energy: -61.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -698.673770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.673770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.673770 (E_RNA) where: Base-Base interactions energy: -439.541 where: short stacking energy: -227.372 Base-Backbone interact. energy: 0.342 local terms energy: -259.474416 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -56.966 flat angles C4'-P-C4' energy: -66.974 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -46.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -512.513785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.513785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.513785 (E_RNA) where: Base-Base interactions energy: -300.871 where: short stacking energy: -136.237 Base-Backbone interact. energy: -1.787 local terms energy: -209.855754 where: bonds (distance) C4'-P energy: -63.117 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -44.790 flat angles P-C4'-P energy: -33.764 tors. eta vs tors. theta energy: -7.306 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: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -531.817781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.817781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.817781 (E_RNA) where: Base-Base interactions energy: -309.747 where: short stacking energy: -138.074 Base-Backbone interact. energy: -1.444 local terms energy: -220.627120 where: bonds (distance) C4'-P energy: -51.662 bonds (distance) P-C4' energy: -50.523 flat angles C4'-P-C4' energy: -53.317 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: -25.109 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: 37 Temperature: 1.300000 Total energy: -410.445982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.445982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.445982 (E_RNA) where: Base-Base interactions energy: -212.849 where: short stacking energy: -111.684 Base-Backbone interact. energy: -0.731 local terms energy: -196.865955 where: bonds (distance) C4'-P energy: -52.863 bonds (distance) P-C4' energy: -60.922 flat angles C4'-P-C4' energy: -48.655 flat angles P-C4'-P energy: -33.425 tors. eta vs tors. theta energy: -1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -373.507017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.507017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.507017 (E_RNA) where: Base-Base interactions energy: -198.467 where: short stacking energy: -118.016 Base-Backbone interact. energy: 5.728 local terms energy: -180.767757 where: bonds (distance) C4'-P energy: -46.564 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -46.616 flat angles P-C4'-P energy: -14.404 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1080.554254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.554254 (E_RNA) where: Base-Base interactions energy: -705.377 where: short stacking energy: -310.414 Base-Backbone interact. energy: -2.318 local terms energy: -372.859052 where: bonds (distance) C4'-P energy: -76.932 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -76.639 flat angles P-C4'-P energy: -51.564 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: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -998.525396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.525396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.525396 (E_RNA) where: Base-Base interactions energy: -691.390 where: short stacking energy: -312.038 Base-Backbone interact. energy: 2.714 local terms energy: -309.849848 where: bonds (distance) C4'-P energy: -53.671 bonds (distance) P-C4' energy: -62.433 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -52.047 tors. eta vs tors. theta energy: -77.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -954.620954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.620954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.620954 (E_RNA) where: Base-Base interactions energy: -633.863 where: short stacking energy: -306.298 Base-Backbone interact. energy: -1.927 local terms energy: -318.830876 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -66.262 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -81.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -819.298359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.298359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.298359 (E_RNA) where: Base-Base interactions energy: -529.612 where: short stacking energy: -255.790 Base-Backbone interact. energy: -1.595 local terms energy: -288.092258 where: bonds (distance) C4'-P energy: -44.852 bonds (distance) P-C4' energy: -61.489 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -38.100 tors. eta vs tors. theta energy: -77.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -767.542429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.542429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.542429 (E_RNA) where: Base-Base interactions energy: -487.382 where: short stacking energy: -238.424 Base-Backbone interact. energy: -0.660 local terms energy: -279.501304 where: bonds (distance) C4'-P energy: -57.332 bonds (distance) P-C4' energy: -45.843 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -43.541 tors. eta vs tors. theta energy: -65.153 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: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -697.477783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.477783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.477783 (E_RNA) where: Base-Base interactions energy: -425.172 where: short stacking energy: -190.360 Base-Backbone interact. energy: -0.188 local terms energy: -272.117877 where: bonds (distance) C4'-P energy: -59.808 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -59.933 flat angles P-C4'-P energy: -42.135 tors. eta vs tors. theta energy: -45.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -561.132855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.132855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.132855 (E_RNA) where: Base-Base interactions energy: -342.391 where: short stacking energy: -167.442 Base-Backbone interact. energy: 0.552 local terms energy: -219.294376 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -49.155 flat angles C4'-P-C4' energy: -50.909 flat angles P-C4'-P energy: -32.846 tors. eta vs tors. theta energy: -25.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -475.911105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.911105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.911105 (E_RNA) where: Base-Base interactions energy: -281.912 where: short stacking energy: -152.903 Base-Backbone interact. energy: 3.515 local terms energy: -197.514496 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -52.223 flat angles C4'-P-C4' energy: -48.350 flat angles P-C4'-P energy: -27.588 tors. eta vs tors. theta energy: -19.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -415.873271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.873271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.873271 (E_RNA) where: Base-Base interactions energy: -221.881 where: short stacking energy: -129.661 Base-Backbone interact. energy: -1.342 local terms energy: -192.650219 where: bonds (distance) C4'-P energy: -46.566 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -57.703 flat angles P-C4'-P energy: -21.494 tors. eta vs tors. theta energy: -8.926 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: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -380.305834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.305834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.305834 (E_RNA) where: Base-Base interactions energy: -195.949 where: short stacking energy: -113.026 Base-Backbone interact. energy: -1.117 local terms energy: -183.240516 where: bonds (distance) C4'-P energy: -48.846 bonds (distance) P-C4' energy: -60.452 flat angles C4'-P-C4' energy: -32.782 flat angles P-C4'-P energy: -29.009 tors. eta vs tors. theta energy: -12.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1074.459733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.459733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.459733 (E_RNA) where: Base-Base interactions energy: -717.221 where: short stacking energy: -328.361 Base-Backbone interact. energy: -2.767 local terms energy: -354.472510 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -61.580 flat angles C4'-P-C4' energy: -77.328 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -103.831 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: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -995.317266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.317266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.317266 (E_RNA) where: Base-Base interactions energy: -665.447 where: short stacking energy: -303.987 Base-Backbone interact. energy: -1.734 local terms energy: -328.136238 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -70.222 flat angles P-C4'-P energy: -48.143 tors. eta vs tors. theta energy: -87.246 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: 39 Temperature: 1.000000 Total energy: -964.103536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.103536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.103536 (E_RNA) where: Base-Base interactions energy: -656.305 where: short stacking energy: -272.031 Base-Backbone interact. energy: -1.362 local terms energy: -306.435765 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -57.574 flat angles C4'-P-C4' energy: -70.154 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -73.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -801.809830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.809830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.809830 (E_RNA) where: Base-Base interactions energy: -521.549 where: short stacking energy: -244.669 Base-Backbone interact. energy: -2.605 local terms energy: -277.656421 where: bonds (distance) C4'-P energy: -53.289 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -68.567 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -54.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -750.414796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.414796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.414796 (E_RNA) where: Base-Base interactions energy: -491.932 where: short stacking energy: -226.182 Base-Backbone interact. energy: -0.163 local terms energy: -258.320260 where: bonds (distance) C4'-P energy: -56.665 bonds (distance) P-C4' energy: -55.847 flat angles C4'-P-C4' energy: -54.550 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -53.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -660.751688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.751688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.751688 (E_RNA) where: Base-Base interactions energy: -436.884 where: short stacking energy: -209.866 Base-Backbone interact. energy: 5.239 local terms energy: -229.106356 where: bonds (distance) C4'-P energy: -52.179 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -55.365 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: -34.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -551.379144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.379144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.379144 (E_RNA) where: Base-Base interactions energy: -318.307 where: short stacking energy: -145.543 Base-Backbone interact. energy: -2.218 local terms energy: -230.854962 where: bonds (distance) C4'-P energy: -47.746 bonds (distance) P-C4' energy: -60.001 flat angles C4'-P-C4' energy: -53.641 flat angles P-C4'-P energy: -35.908 tors. eta vs tors. theta energy: -33.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -455.578326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.578326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.578326 (E_RNA) where: Base-Base interactions energy: -257.836 where: short stacking energy: -145.027 Base-Backbone interact. energy: -1.813 local terms energy: -195.929114 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -48.844 flat angles C4'-P-C4' energy: -39.386 flat angles P-C4'-P energy: -27.230 tors. eta vs tors. theta energy: -22.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -468.579907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.579907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.579907 (E_RNA) where: Base-Base interactions energy: -242.815 where: short stacking energy: -131.396 Base-Backbone interact. energy: -1.028 local terms energy: -224.736582 where: bonds (distance) C4'-P energy: -49.733 bonds (distance) P-C4' energy: -62.387 flat angles C4'-P-C4' energy: -55.943 flat angles P-C4'-P energy: -37.406 tors. eta vs tors. theta energy: -19.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -401.503042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.503042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.503042 (E_RNA) where: Base-Base interactions energy: -231.496 where: short stacking energy: -122.615 Base-Backbone interact. energy: -1.384 local terms energy: -168.622811 where: bonds (distance) C4'-P energy: -49.876 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -39.615 flat angles P-C4'-P energy: -20.030 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1061.963804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.963804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.963804 (E_RNA) where: Base-Base interactions energy: -709.609 where: short stacking energy: -319.293 Base-Backbone interact. energy: -1.971 local terms energy: -350.384512 where: bonds (distance) C4'-P energy: -56.058 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -78.258 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -98.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1011.661692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.661692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.661692 (E_RNA) where: Base-Base interactions energy: -673.895 where: short stacking energy: -318.498 Base-Backbone interact. energy: -3.019 local terms energy: -334.747787 where: bonds (distance) C4'-P energy: -68.235 bonds (distance) P-C4' energy: -62.044 flat angles C4'-P-C4' energy: -70.446 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -83.768 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: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1021.454051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.454051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.454051 (E_RNA) where: Base-Base interactions energy: -681.505 where: short stacking energy: -298.617 Base-Backbone interact. energy: -1.275 local terms energy: -338.674102 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -72.053 flat angles C4'-P-C4' energy: -71.313 flat angles P-C4'-P energy: -43.233 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -811.510825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.510825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.510825 (E_RNA) where: Base-Base interactions energy: -515.740 where: short stacking energy: -230.258 Base-Backbone interact. energy: -1.048 local terms energy: -294.722750 where: bonds (distance) C4'-P energy: -59.817 bonds (distance) P-C4' energy: -56.742 flat angles C4'-P-C4' energy: -62.756 flat angles P-C4'-P energy: -50.395 tors. eta vs tors. theta energy: -65.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -808.535282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.535282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.535282 (E_RNA) where: Base-Base interactions energy: -535.456 where: short stacking energy: -255.541 Base-Backbone interact. energy: -0.598 local terms energy: -272.480766 where: bonds (distance) C4'-P energy: -53.850 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -34.361 tors. eta vs tors. theta energy: -62.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -664.472778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.472778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.472778 (E_RNA) where: Base-Base interactions energy: -401.351 where: short stacking energy: -194.997 Base-Backbone interact. energy: -1.324 local terms energy: -261.797367 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -58.314 flat angles C4'-P-C4' energy: -57.803 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -38.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -537.327631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.327631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.327631 (E_RNA) where: Base-Base interactions energy: -294.213 where: short stacking energy: -150.698 Base-Backbone interact. energy: -1.160 local terms energy: -241.954478 where: bonds (distance) C4'-P energy: -42.828 bonds (distance) P-C4' energy: -65.456 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -26.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -512.450305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.450305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.450305 (E_RNA) where: Base-Base interactions energy: -271.110 where: short stacking energy: -146.134 Base-Backbone interact. energy: -1.272 local terms energy: -240.067636 where: bonds (distance) C4'-P energy: -52.305 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -61.038 flat angles P-C4'-P energy: -29.939 tors. eta vs tors. theta energy: -35.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -447.969075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.969075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.969075 (E_RNA) where: Base-Base interactions energy: -246.775 where: short stacking energy: -139.590 Base-Backbone interact. energy: 1.386 local terms energy: -202.580501 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -46.281 flat angles P-C4'-P energy: -33.670 tors. eta vs tors. theta energy: -12.767 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: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -365.827361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.827361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.827361 (E_RNA) where: Base-Base interactions energy: -186.828 where: short stacking energy: -103.597 Base-Backbone interact. energy: 0.643 local terms energy: -179.641873 where: bonds (distance) C4'-P energy: -50.222 bonds (distance) P-C4' energy: -57.291 flat angles C4'-P-C4' energy: -44.771 flat angles P-C4'-P energy: -22.158 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1076.937615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.937615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.937615 (E_RNA) where: Base-Base interactions energy: -726.269 where: short stacking energy: -330.122 Base-Backbone interact. energy: -1.614 local terms energy: -349.055058 where: bonds (distance) C4'-P energy: -56.428 bonds (distance) P-C4' energy: -72.340 flat angles C4'-P-C4' energy: -68.223 flat angles P-C4'-P energy: -53.567 tors. eta vs tors. theta energy: -98.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1023.420008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.420008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.420008 (E_RNA) where: Base-Base interactions energy: -674.328 where: short stacking energy: -313.551 Base-Backbone interact. energy: -1.709 local terms energy: -347.383474 where: bonds (distance) C4'-P energy: -68.031 bonds (distance) P-C4' energy: -70.145 flat angles C4'-P-C4' energy: -75.508 flat angles P-C4'-P energy: -45.118 tors. eta vs tors. theta energy: -88.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -965.074012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.074012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.074012 (E_RNA) where: Base-Base interactions energy: -649.273 where: short stacking energy: -281.278 Base-Backbone interact. energy: -1.927 local terms energy: -313.874093 where: bonds (distance) C4'-P energy: -54.177 bonds (distance) P-C4' energy: -59.011 flat angles C4'-P-C4' energy: -69.215 flat angles P-C4'-P energy: -49.121 tors. eta vs tors. theta energy: -82.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -842.645546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.645546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.645546 (E_RNA) where: Base-Base interactions energy: -533.913 where: short stacking energy: -267.347 Base-Backbone interact. energy: -0.744 local terms energy: -307.989140 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -54.130 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -70.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -756.833187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.833187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.833187 (E_RNA) where: Base-Base interactions energy: -478.703 where: short stacking energy: -233.364 Base-Backbone interact. energy: -0.283 local terms energy: -277.847691 where: bonds (distance) C4'-P energy: -55.365 bonds (distance) P-C4' energy: -60.254 flat angles C4'-P-C4' energy: -63.187 flat angles P-C4'-P energy: -44.824 tors. eta vs tors. theta energy: -54.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -662.299030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.299030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.299030 (E_RNA) where: Base-Base interactions energy: -402.653 where: short stacking energy: -185.235 Base-Backbone interact. energy: -0.922 local terms energy: -258.724335 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -65.049 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -26.010 tors. eta vs tors. theta energy: -36.836 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: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -639.484207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.484207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.484207 (E_RNA) where: Base-Base interactions energy: -395.253 where: short stacking energy: -198.146 Base-Backbone interact. energy: -1.746 local terms energy: -242.485475 where: bonds (distance) C4'-P energy: -49.592 bonds (distance) P-C4' energy: -70.275 flat angles C4'-P-C4' energy: -47.144 flat angles P-C4'-P energy: -35.431 tors. eta vs tors. theta energy: -40.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -492.934508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.934508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.934508 (E_RNA) where: Base-Base interactions energy: -288.050 where: short stacking energy: -144.371 Base-Backbone interact. energy: -1.312 local terms energy: -203.572208 where: bonds (distance) C4'-P energy: -51.340 bonds (distance) P-C4' energy: -58.352 flat angles C4'-P-C4' energy: -40.782 flat angles P-C4'-P energy: -28.117 tors. eta vs tors. theta energy: -24.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -429.558303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.558303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.558303 (E_RNA) where: Base-Base interactions energy: -242.822 where: short stacking energy: -121.630 Base-Backbone interact. energy: -1.859 local terms energy: -184.876652 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -47.899 flat angles C4'-P-C4' energy: -57.244 flat angles P-C4'-P energy: -21.440 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -346.713716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.713716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.713716 (E_RNA) where: Base-Base interactions energy: -145.704 where: short stacking energy: -93.008 Base-Backbone interact. energy: -0.146 local terms energy: -200.864550 where: bonds (distance) C4'-P energy: -61.176 bonds (distance) P-C4' energy: -64.681 flat angles C4'-P-C4' energy: -51.180 flat angles P-C4'-P energy: -25.151 tors. eta vs tors. theta energy: 1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1031.755554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.755554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.755554 (E_RNA) where: Base-Base interactions energy: -696.303 where: short stacking energy: -291.065 Base-Backbone interact. energy: -1.435 local terms energy: -334.016953 where: bonds (distance) C4'-P energy: -72.395 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -47.879 tors. eta vs tors. theta energy: -74.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1018.458358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.458358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.458358 (E_RNA) where: Base-Base interactions energy: -700.463 where: short stacking energy: -311.370 Base-Backbone interact. energy: -1.226 local terms energy: -316.768645 where: bonds (distance) C4'-P energy: -46.779 bonds (distance) P-C4' energy: -62.730 flat angles C4'-P-C4' energy: -68.589 flat angles P-C4'-P energy: -47.703 tors. eta vs tors. theta energy: -90.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -977.499548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.499548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.499548 (E_RNA) where: Base-Base interactions energy: -650.701 where: short stacking energy: -294.847 Base-Backbone interact. energy: -3.271 local terms energy: -323.527002 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -65.504 flat angles C4'-P-C4' energy: -71.275 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -83.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -831.324697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.324697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.324697 (E_RNA) where: Base-Base interactions energy: -553.574 where: short stacking energy: -262.655 Base-Backbone interact. energy: -1.156 local terms energy: -276.594622 where: bonds (distance) C4'-P energy: -49.305 bonds (distance) P-C4' energy: -56.929 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -36.257 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: 5, replica: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -752.691287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.691287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.691287 (E_RNA) where: Base-Base interactions energy: -496.049 where: short stacking energy: -223.912 Base-Backbone interact. energy: -1.811 local terms energy: -254.831236 where: bonds (distance) C4'-P energy: -53.277 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -56.517 flat angles P-C4'-P energy: -32.766 tors. eta vs tors. theta energy: -52.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -628.923325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.923325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.923325 (E_RNA) where: Base-Base interactions energy: -390.226 where: short stacking energy: -209.678 Base-Backbone interact. energy: 2.163 local terms energy: -240.860178 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -52.857 flat angles C4'-P-C4' energy: -56.030 flat angles P-C4'-P energy: -28.024 tors. eta vs tors. theta energy: -51.523 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -629.029444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.029444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.029444 (E_RNA) where: Base-Base interactions energy: -385.995 where: short stacking energy: -188.654 Base-Backbone interact. energy: 2.570 local terms energy: -245.604272 where: bonds (distance) C4'-P energy: -56.857 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -51.333 flat angles P-C4'-P energy: -33.392 tors. eta vs tors. theta energy: -44.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -482.377647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.377647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.377647 (E_RNA) where: Base-Base interactions energy: -267.972 where: short stacking energy: -142.283 Base-Backbone interact. energy: -1.398 local terms energy: -213.007730 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -58.915 flat angles C4'-P-C4' energy: -53.138 flat angles P-C4'-P energy: -25.040 tors. eta vs tors. theta energy: -19.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -416.671362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.671362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.671362 (E_RNA) where: Base-Base interactions energy: -207.618 where: short stacking energy: -114.884 Base-Backbone interact. energy: -0.741 local terms energy: -208.312290 where: bonds (distance) C4'-P energy: -50.830 bonds (distance) P-C4' energy: -62.604 flat angles C4'-P-C4' energy: -52.008 flat angles P-C4'-P energy: -23.627 tors. eta vs tors. theta energy: -19.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -344.266616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.266616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.266616 (E_RNA) where: Base-Base interactions energy: -165.479 where: short stacking energy: -108.210 Base-Backbone interact. energy: -0.468 local terms energy: -178.319260 where: bonds (distance) C4'-P energy: -45.753 bonds (distance) P-C4' energy: -59.443 flat angles C4'-P-C4' energy: -39.121 flat angles P-C4'-P energy: -25.724 tors. eta vs tors. theta energy: -8.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1058.671640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.671640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.671640 (E_RNA) where: Base-Base interactions energy: -717.067 where: short stacking energy: -307.310 Base-Backbone interact. energy: -1.486 local terms energy: -340.119324 where: bonds (distance) C4'-P energy: -56.042 bonds (distance) P-C4' energy: -64.317 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -88.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1023.773075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.773075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.773075 (E_RNA) where: Base-Base interactions energy: -684.432 where: short stacking energy: -310.426 Base-Backbone interact. energy: -1.401 local terms energy: -337.939539 where: bonds (distance) C4'-P energy: -63.402 bonds (distance) P-C4' energy: -68.715 flat angles C4'-P-C4' energy: -64.438 flat angles P-C4'-P energy: -49.769 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: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -987.182032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.182032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.182032 (E_RNA) where: Base-Base interactions energy: -678.697 where: short stacking energy: -309.799 Base-Backbone interact. energy: 5.278 local terms energy: -313.762771 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -68.962 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: -77.678 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: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -851.584293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.584293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.584293 (E_RNA) where: Base-Base interactions energy: -553.002 where: short stacking energy: -242.293 Base-Backbone interact. energy: -0.401 local terms energy: -298.181732 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -61.575 flat angles P-C4'-P energy: -33.088 tors. eta vs tors. theta energy: -77.470 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: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -789.776567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.776567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.776567 (E_RNA) where: Base-Base interactions energy: -513.805 where: short stacking energy: -241.240 Base-Backbone interact. energy: -1.855 local terms energy: -274.116847 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -66.592 flat angles C4'-P-C4' energy: -59.061 flat angles P-C4'-P energy: -41.593 tors. eta vs tors. theta energy: -59.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -644.937555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.937555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.937555 (E_RNA) where: Base-Base interactions energy: -414.832 where: short stacking energy: -190.974 Base-Backbone interact. energy: -1.017 local terms energy: -229.088444 where: bonds (distance) C4'-P energy: -59.416 bonds (distance) P-C4' energy: -52.705 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -26.587 tors. eta vs tors. theta energy: -32.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -607.121718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.121718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.121718 (E_RNA) where: Base-Base interactions energy: -361.767 where: short stacking energy: -184.456 Base-Backbone interact. energy: 1.682 local terms energy: -247.037147 where: bonds (distance) C4'-P energy: -50.647 bonds (distance) P-C4' energy: -55.705 flat angles C4'-P-C4' energy: -58.554 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -40.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -516.583358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.583358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.583358 (E_RNA) where: Base-Base interactions energy: -312.487 where: short stacking energy: -144.366 Base-Backbone interact. energy: 3.580 local terms energy: -207.676934 where: bonds (distance) C4'-P energy: -49.721 bonds (distance) P-C4' energy: -56.476 flat angles C4'-P-C4' energy: -47.946 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -431.781429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.781429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.781429 (E_RNA) where: Base-Base interactions energy: -228.345 where: short stacking energy: -135.927 Base-Backbone interact. energy: 4.173 local terms energy: -207.609341 where: bonds (distance) C4'-P energy: -53.847 bonds (distance) P-C4' energy: -54.937 flat angles C4'-P-C4' energy: -47.534 flat angles P-C4'-P energy: -33.736 tors. eta vs tors. theta energy: -17.556 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: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -323.318436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.318436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.318436 (E_RNA) where: Base-Base interactions energy: -156.955 where: short stacking energy: -91.988 Base-Backbone interact. energy: -1.138 local terms energy: -165.225306 where: bonds (distance) C4'-P energy: -45.409 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -41.632 flat angles P-C4'-P energy: -26.037 tors. eta vs tors. theta energy: 7.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1063.676287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.676287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.676287 (E_RNA) where: Base-Base interactions energy: -721.612 where: short stacking energy: -319.368 Base-Backbone interact. energy: -0.821 local terms energy: -341.242948 where: bonds (distance) C4'-P energy: -53.331 bonds (distance) P-C4' energy: -64.104 flat angles C4'-P-C4' energy: -75.991 flat angles P-C4'-P energy: -55.196 tors. eta vs tors. theta energy: -92.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1018.732315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.732315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.732315 (E_RNA) where: Base-Base interactions energy: -680.659 where: short stacking energy: -307.274 Base-Backbone interact. energy: -2.755 local terms energy: -335.317877 where: bonds (distance) C4'-P energy: -66.442 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -73.748 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -89.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -965.817734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.817734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.817734 (E_RNA) where: Base-Base interactions energy: -652.872 where: short stacking energy: -285.048 Base-Backbone interact. energy: -2.168 local terms energy: -310.777823 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -86.021 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: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -864.234826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.234826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.234826 (E_RNA) where: Base-Base interactions energy: -583.294 where: short stacking energy: -260.813 Base-Backbone interact. energy: 2.745 local terms energy: -283.686052 where: bonds (distance) C4'-P energy: -60.855 bonds (distance) P-C4' energy: -56.940 flat angles C4'-P-C4' energy: -59.515 flat angles P-C4'-P energy: -45.562 tors. eta vs tors. theta energy: -60.814 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: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -808.107528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.107528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.107528 (E_RNA) where: Base-Base interactions energy: -525.280 where: short stacking energy: -224.063 Base-Backbone interact. energy: -0.693 local terms energy: -282.134598 where: bonds (distance) C4'-P energy: -66.679 bonds (distance) P-C4' energy: -48.555 flat angles C4'-P-C4' energy: -75.011 flat angles P-C4'-P energy: -37.861 tors. eta vs tors. theta energy: -54.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -631.076067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.076067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.076067 (E_RNA) where: Base-Base interactions energy: -369.237 where: short stacking energy: -179.582 Base-Backbone interact. energy: 1.355 local terms energy: -263.194505 where: bonds (distance) C4'-P energy: -55.864 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -28.559 tors. eta vs tors. theta energy: -40.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -635.960001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.960001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.960001 (E_RNA) where: Base-Base interactions energy: -413.558 where: short stacking energy: -171.146 Base-Backbone interact. energy: -2.364 local terms energy: -220.037976 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -48.928 flat angles C4'-P-C4' energy: -46.505 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -34.323 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: 8, replica: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -499.898988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.898988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.898988 (E_RNA) where: Base-Base interactions energy: -296.639 where: short stacking energy: -172.361 Base-Backbone interact. energy: 2.982 local terms energy: -206.241361 where: bonds (distance) C4'-P energy: -45.926 bonds (distance) P-C4' energy: -46.232 flat angles C4'-P-C4' energy: -49.905 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: -33.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -445.498187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.498187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.498187 (E_RNA) where: Base-Base interactions energy: -225.949 where: short stacking energy: -127.041 Base-Backbone interact. energy: -1.261 local terms energy: -218.288666 where: bonds (distance) C4'-P energy: -44.688 bonds (distance) P-C4' energy: -58.363 flat angles C4'-P-C4' energy: -56.960 flat angles P-C4'-P energy: -35.937 tors. eta vs tors. theta energy: -22.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -301.598173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.598173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.598173 (E_RNA) where: Base-Base interactions energy: -129.107 where: short stacking energy: -96.519 Base-Backbone interact. energy: 0.163 local terms energy: -172.654535 where: bonds (distance) C4'-P energy: -47.564 bonds (distance) P-C4' energy: -58.480 flat angles C4'-P-C4' energy: -30.827 flat angles P-C4'-P energy: -30.969 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1060.955652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.955652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.955652 (E_RNA) where: Base-Base interactions energy: -707.095 where: short stacking energy: -305.655 Base-Backbone interact. energy: -1.062 local terms energy: -352.799105 where: bonds (distance) C4'-P energy: -66.763 bonds (distance) P-C4' energy: -68.805 flat angles C4'-P-C4' energy: -74.359 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -96.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1043.136703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.136703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.136703 (E_RNA) where: Base-Base interactions energy: -694.870 where: short stacking energy: -303.177 Base-Backbone interact. energy: -3.129 local terms energy: -345.138198 where: bonds (distance) C4'-P energy: -60.970 bonds (distance) P-C4' energy: -62.695 flat angles C4'-P-C4' energy: -70.399 flat angles P-C4'-P energy: -54.922 tors. eta vs tors. theta energy: -96.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -975.035755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.035755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.035755 (E_RNA) where: Base-Base interactions energy: -646.463 where: short stacking energy: -286.635 Base-Backbone interact. energy: -1.663 local terms energy: -326.909331 where: bonds (distance) C4'-P energy: -48.575 bonds (distance) P-C4' energy: -74.334 flat angles C4'-P-C4' energy: -63.920 flat angles P-C4'-P energy: -51.363 tors. eta vs tors. theta energy: -88.717 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -867.036152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.036152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.036152 (E_RNA) where: Base-Base interactions energy: -564.923 where: short stacking energy: -257.296 Base-Backbone interact. energy: -0.948 local terms energy: -301.164383 where: bonds (distance) C4'-P energy: -58.218 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -65.164 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -67.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -802.260303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.260303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.260303 (E_RNA) where: Base-Base interactions energy: -520.048 where: short stacking energy: -238.024 Base-Backbone interact. energy: -3.181 local terms energy: -279.030709 where: bonds (distance) C4'-P energy: -52.526 bonds (distance) P-C4' energy: -62.017 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -59.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -686.910386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.910386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.910386 (E_RNA) where: Base-Base interactions energy: -407.146 where: short stacking energy: -208.200 Base-Backbone interact. energy: -0.849 local terms energy: -278.915695 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -59.772 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -33.884 tors. eta vs tors. theta energy: -54.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -621.689898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.689898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.689898 (E_RNA) where: Base-Base interactions energy: -378.023 where: short stacking energy: -180.131 Base-Backbone interact. energy: -0.814 local terms energy: -242.852250 where: bonds (distance) C4'-P energy: -52.297 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -45.171 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -32.760 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: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -482.263538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.263538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.263538 (E_RNA) where: Base-Base interactions energy: -255.265 where: short stacking energy: -137.185 Base-Backbone interact. energy: -1.935 local terms energy: -225.063988 where: bonds (distance) C4'-P energy: -60.294 bonds (distance) P-C4' energy: -71.834 flat angles C4'-P-C4' energy: -50.122 flat angles P-C4'-P energy: -27.829 tors. eta vs tors. theta energy: -14.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -444.396773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.396773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.396773 (E_RNA) where: Base-Base interactions energy: -274.382 where: short stacking energy: -117.580 Base-Backbone interact. energy: -0.323 local terms energy: -169.691386 where: bonds (distance) C4'-P energy: -56.643 bonds (distance) P-C4' energy: -45.487 flat angles C4'-P-C4' energy: -52.026 flat angles P-C4'-P energy: -13.174 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -263.556132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.556132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.556132 (E_RNA) where: Base-Base interactions energy: -114.508 where: short stacking energy: -87.001 Base-Backbone interact. energy: -1.101 local terms energy: -147.947034 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -47.088 flat angles C4'-P-C4' energy: -28.189 flat angles P-C4'-P energy: -32.905 tors. eta vs tors. theta energy: 16.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1067.913799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.913799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.913799 (E_RNA) where: Base-Base interactions energy: -708.027 where: short stacking energy: -331.076 Base-Backbone interact. energy: -2.439 local terms energy: -357.447930 where: bonds (distance) C4'-P energy: -57.782 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -78.175 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -96.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1013.110832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.110832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.110832 (E_RNA) where: Base-Base interactions energy: -691.815 where: short stacking energy: -295.663 Base-Backbone interact. energy: -1.359 local terms energy: -319.935994 where: bonds (distance) C4'-P energy: -57.652 bonds (distance) P-C4' energy: -63.478 flat angles C4'-P-C4' energy: -68.542 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -77.383 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: 46 Temperature: 1.000000 Total energy: -968.555840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.555840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.555840 (E_RNA) where: Base-Base interactions energy: -646.914 where: short stacking energy: -300.214 Base-Backbone interact. energy: 1.250 local terms energy: -322.892392 where: bonds (distance) C4'-P energy: -52.495 bonds (distance) P-C4' energy: -71.605 flat angles C4'-P-C4' energy: -65.668 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -86.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -833.220779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.220779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.220779 (E_RNA) where: Base-Base interactions energy: -538.577 where: short stacking energy: -253.597 Base-Backbone interact. energy: -1.675 local terms energy: -292.969033 where: bonds (distance) C4'-P energy: -57.786 bonds (distance) P-C4' energy: -54.234 flat angles C4'-P-C4' energy: -72.660 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -65.128 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: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -801.520092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.520092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.520092 (E_RNA) where: Base-Base interactions energy: -537.777 where: short stacking energy: -242.016 Base-Backbone interact. energy: -2.408 local terms energy: -261.335365 where: bonds (distance) C4'-P energy: -48.351 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -56.953 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: -50.283 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: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -665.422091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.422091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.422091 (E_RNA) where: Base-Base interactions energy: -427.588 where: short stacking energy: -194.845 Base-Backbone interact. energy: -0.864 local terms energy: -236.969985 where: bonds (distance) C4'-P energy: -48.968 bonds (distance) P-C4' energy: -45.717 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -31.679 tors. eta vs tors. theta energy: -44.456 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: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -612.911396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.911396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.911396 (E_RNA) where: Base-Base interactions energy: -344.254 where: short stacking energy: -168.041 Base-Backbone interact. energy: 1.501 local terms energy: -270.158325 where: bonds (distance) C4'-P energy: -58.325 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -59.795 flat angles P-C4'-P energy: -50.069 tors. eta vs tors. theta energy: -37.569 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: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -488.299987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.299987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.299987 (E_RNA) where: Base-Base interactions energy: -261.400 where: short stacking energy: -139.410 Base-Backbone interact. energy: -1.497 local terms energy: -225.402853 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -61.310 flat angles C4'-P-C4' energy: -52.953 flat angles P-C4'-P energy: -40.110 tors. eta vs tors. theta energy: -19.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -297.414455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.414455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.414455 (E_RNA) where: Base-Base interactions energy: -114.620 where: short stacking energy: -73.061 Base-Backbone interact. energy: 5.608 local terms energy: -188.401838 where: bonds (distance) C4'-P energy: -59.251 bonds (distance) P-C4' energy: -52.287 flat angles C4'-P-C4' energy: -53.364 flat angles P-C4'-P energy: -28.383 tors. eta vs tors. theta energy: 4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -352.680849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.680849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.680849 (E_RNA) where: Base-Base interactions energy: -173.328 where: short stacking energy: -96.446 Base-Backbone interact. energy: 0.995 local terms energy: -180.347925 where: bonds (distance) C4'-P energy: -46.036 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -37.238 flat angles P-C4'-P energy: -34.382 tors. eta vs tors. theta energy: 2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1086.221528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.221528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.221528 (E_RNA) where: Base-Base interactions energy: -740.752 where: short stacking energy: -314.410 Base-Backbone interact. energy: -0.788 local terms energy: -344.680941 where: bonds (distance) C4'-P energy: -66.825 bonds (distance) P-C4' energy: -66.013 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -92.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1045.596929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.596929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.596929 (E_RNA) where: Base-Base interactions energy: -681.278 where: short stacking energy: -319.210 Base-Backbone interact. energy: -0.686 local terms energy: -363.632292 where: bonds (distance) C4'-P energy: -67.652 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -68.560 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -98.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -957.621855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.621855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.621855 (E_RNA) where: Base-Base interactions energy: -639.642 where: short stacking energy: -281.655 Base-Backbone interact. energy: -1.263 local terms energy: -316.716198 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -80.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -828.646709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.646709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.646709 (E_RNA) where: Base-Base interactions energy: -536.719 where: short stacking energy: -249.279 Base-Backbone interact. energy: -1.487 local terms energy: -290.440302 where: bonds (distance) C4'-P energy: -62.982 bonds (distance) P-C4' energy: -65.718 flat angles C4'-P-C4' energy: -57.744 flat angles P-C4'-P energy: -44.431 tors. eta vs tors. theta energy: -59.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -844.193104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.193104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.193104 (E_RNA) where: Base-Base interactions energy: -557.585 where: short stacking energy: -238.671 Base-Backbone interact. energy: -1.466 local terms energy: -285.141785 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -55.268 flat angles C4'-P-C4' energy: -59.865 flat angles P-C4'-P energy: -44.749 tors. eta vs tors. theta energy: -64.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -645.136691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.136691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.136691 (E_RNA) where: Base-Base interactions energy: -402.168 where: short stacking energy: -185.272 Base-Backbone interact. energy: -0.704 local terms energy: -242.264859 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -47.859 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: -34.929 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: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -551.473340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.473340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.473340 (E_RNA) where: Base-Base interactions energy: -311.120 where: short stacking energy: -172.027 Base-Backbone interact. energy: -0.886 local terms energy: -239.467522 where: bonds (distance) C4'-P energy: -61.375 bonds (distance) P-C4' energy: -57.757 flat angles C4'-P-C4' energy: -51.321 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -21.681 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -475.291456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.291456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.291456 (E_RNA) where: Base-Base interactions energy: -265.519 where: short stacking energy: -145.316 Base-Backbone interact. energy: 0.775 local terms energy: -210.547351 where: bonds (distance) C4'-P energy: -57.882 bonds (distance) P-C4' energy: -53.199 flat angles C4'-P-C4' energy: -60.145 flat angles P-C4'-P energy: -26.324 tors. eta vs tors. theta energy: -12.996 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: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -310.043952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.043952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.043952 (E_RNA) where: Base-Base interactions energy: -117.306 where: short stacking energy: -90.828 Base-Backbone interact. energy: -1.622 local terms energy: -191.115915 where: bonds (distance) C4'-P energy: -55.534 bonds (distance) P-C4' energy: -68.612 flat angles C4'-P-C4' energy: -44.808 flat angles P-C4'-P energy: -19.271 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -294.799224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.799224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.799224 (E_RNA) where: Base-Base interactions energy: -128.931 where: short stacking energy: -84.060 Base-Backbone interact. energy: -1.319 local terms energy: -164.549124 where: bonds (distance) C4'-P energy: -48.756 bonds (distance) P-C4' energy: -53.984 flat angles C4'-P-C4' energy: -53.006 flat angles P-C4'-P energy: -13.099 tors. eta vs tors. theta energy: 4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1057.344504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.344504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.344504 (E_RNA) where: Base-Base interactions energy: -703.574 where: short stacking energy: -312.805 Base-Backbone interact. energy: 0.035 local terms energy: -353.804561 where: bonds (distance) C4'-P energy: -72.756 bonds (distance) P-C4' energy: -72.561 flat angles C4'-P-C4' energy: -72.921 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: -89.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1044.392578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.392578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.392578 (E_RNA) where: Base-Base interactions energy: -707.262 where: short stacking energy: -322.820 Base-Backbone interact. energy: -1.201 local terms energy: -335.929206 where: bonds (distance) C4'-P energy: -64.175 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -43.452 tors. eta vs tors. theta energy: -93.375 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: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -966.092164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.092164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.092164 (E_RNA) where: Base-Base interactions energy: -654.286 where: short stacking energy: -294.546 Base-Backbone interact. energy: 3.559 local terms energy: -315.365290 where: bonds (distance) C4'-P energy: -67.331 bonds (distance) P-C4' energy: -58.909 flat angles C4'-P-C4' energy: -65.029 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -83.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -818.029008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.029008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.029008 (E_RNA) where: Base-Base interactions energy: -531.828 where: short stacking energy: -251.326 Base-Backbone interact. energy: -3.293 local terms energy: -282.907811 where: bonds (distance) C4'-P energy: -47.744 bonds (distance) P-C4' energy: -67.924 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: -60.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -845.201668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.201668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.201668 (E_RNA) where: Base-Base interactions energy: -553.848 where: short stacking energy: -246.014 Base-Backbone interact. energy: -1.075 local terms energy: -290.279428 where: bonds (distance) C4'-P energy: -53.958 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -63.101 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: 48 Temperature: 1.150000 Total energy: -649.324564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.324564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.324564 (E_RNA) where: Base-Base interactions energy: -409.880 where: short stacking energy: -183.647 Base-Backbone interact. energy: -0.550 local terms energy: -238.894218 where: bonds (distance) C4'-P energy: -63.211 bonds (distance) P-C4' energy: -51.856 flat angles C4'-P-C4' energy: -56.277 flat angles P-C4'-P energy: -30.229 tors. eta vs tors. theta energy: -37.321 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: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -578.927279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.927279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.927279 (E_RNA) where: Base-Base interactions energy: -345.998 where: short stacking energy: -174.464 Base-Backbone interact. energy: 0.623 local terms energy: -233.552215 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -48.888 flat angles C4'-P-C4' energy: -52.686 flat angles P-C4'-P energy: -38.929 tors. eta vs tors. theta energy: -27.930 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: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -571.818460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.818460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.818460 (E_RNA) where: Base-Base interactions energy: -345.440 where: short stacking energy: -153.794 Base-Backbone interact. energy: -1.014 local terms energy: -225.364182 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -55.370 flat angles C4'-P-C4' energy: -54.289 flat angles P-C4'-P energy: -31.870 tors. eta vs tors. theta energy: -25.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -293.321365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.321365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.321365 (E_RNA) where: Base-Base interactions energy: -106.498 where: short stacking energy: -94.187 Base-Backbone interact. energy: -1.708 local terms energy: -185.115350 where: bonds (distance) C4'-P energy: -52.855 bonds (distance) P-C4' energy: -56.154 flat angles C4'-P-C4' energy: -51.421 flat angles P-C4'-P energy: -23.126 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -294.594597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.594597 (E_RNA) where: Base-Base interactions energy: -113.447 where: short stacking energy: -93.997 Base-Backbone interact. energy: -1.580 local terms energy: -179.567387 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -52.911 flat angles C4'-P-C4' energy: -42.722 flat angles P-C4'-P energy: -28.958 tors. eta vs tors. theta energy: -2.104 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: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1046.922286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.922286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.922286 (E_RNA) where: Base-Base interactions energy: -700.921 where: short stacking energy: -304.494 Base-Backbone interact. energy: -0.245 local terms energy: -345.755872 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -72.008 flat angles C4'-P-C4' energy: -72.382 flat angles P-C4'-P energy: -54.648 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: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1054.356360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.356360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.356360 (E_RNA) where: Base-Base interactions energy: -685.841 where: short stacking energy: -304.306 Base-Backbone interact. energy: -2.100 local terms energy: -366.414877 where: bonds (distance) C4'-P energy: -69.915 bonds (distance) P-C4' energy: -71.460 flat angles C4'-P-C4' energy: -82.328 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -92.780 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: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -972.903657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.903657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.903657 (E_RNA) where: Base-Base interactions energy: -665.942 where: short stacking energy: -290.461 Base-Backbone interact. energy: 0.189 local terms energy: -307.150687 where: bonds (distance) C4'-P energy: -58.530 bonds (distance) P-C4' energy: -59.731 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -76.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -804.669630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.669630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.669630 (E_RNA) where: Base-Base interactions energy: -518.216 where: short stacking energy: -250.024 Base-Backbone interact. energy: -0.708 local terms energy: -285.745781 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -57.359 flat angles C4'-P-C4' energy: -61.125 flat angles P-C4'-P energy: -40.815 tors. eta vs tors. theta energy: -65.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -834.759924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.759924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.759924 (E_RNA) where: Base-Base interactions energy: -550.646 where: short stacking energy: -257.482 Base-Backbone interact. energy: -1.037 local terms energy: -283.076524 where: bonds (distance) C4'-P energy: -45.483 bonds (distance) P-C4' energy: -69.405 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -64.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -608.214538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.214538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.214538 (E_RNA) where: Base-Base interactions energy: -377.306 where: short stacking energy: -187.146 Base-Backbone interact. energy: 1.810 local terms energy: -232.718366 where: bonds (distance) C4'-P energy: -57.859 bonds (distance) P-C4' energy: -54.030 flat angles C4'-P-C4' energy: -52.384 flat angles P-C4'-P energy: -32.306 tors. eta vs tors. theta energy: -36.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -608.973188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.973188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.973188 (E_RNA) where: Base-Base interactions energy: -356.654 where: short stacking energy: -188.870 Base-Backbone interact. energy: 2.213 local terms energy: -254.531849 where: bonds (distance) C4'-P energy: -58.228 bonds (distance) P-C4' energy: -53.589 flat angles C4'-P-C4' energy: -62.962 flat angles P-C4'-P energy: -31.088 tors. eta vs tors. theta energy: -48.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -573.139068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.139068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.139068 (E_RNA) where: Base-Base interactions energy: -350.443 where: short stacking energy: -173.002 Base-Backbone interact. energy: 5.349 local terms energy: -228.045072 where: bonds (distance) C4'-P energy: -51.758 bonds (distance) P-C4' energy: -55.351 flat angles C4'-P-C4' energy: -60.331 flat angles P-C4'-P energy: -34.023 tors. eta vs tors. theta energy: -26.583 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: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -278.354773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.354773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.354773 (E_RNA) where: Base-Base interactions energy: -109.759 where: short stacking energy: -90.173 Base-Backbone interact. energy: -1.911 local terms energy: -166.684836 where: bonds (distance) C4'-P energy: -51.247 bonds (distance) P-C4' energy: -55.313 flat angles C4'-P-C4' energy: -48.928 flat angles P-C4'-P energy: -22.585 tors. eta vs tors. theta energy: 11.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -266.797273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.797273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.797273 (E_RNA) where: Base-Base interactions energy: -92.175 where: short stacking energy: -65.243 Base-Backbone interact. energy: 0.903 local terms energy: -175.525206 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -56.578 flat angles C4'-P-C4' energy: -43.168 flat angles P-C4'-P energy: -28.691 tors. eta vs tors. theta energy: 5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1067.581792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.581792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.581792 (E_RNA) where: Base-Base interactions energy: -726.751 where: short stacking energy: -312.743 Base-Backbone interact. energy: -1.204 local terms energy: -339.626347 where: bonds (distance) C4'-P energy: -64.874 bonds (distance) P-C4' energy: -68.382 flat angles C4'-P-C4' energy: -69.259 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: -97.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1038.090781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.090781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.090781 (E_RNA) where: Base-Base interactions energy: -699.358 where: short stacking energy: -303.194 Base-Backbone interact. energy: -2.203 local terms energy: -336.529206 where: bonds (distance) C4'-P energy: -67.443 bonds (distance) P-C4' energy: -59.881 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -49.339 tors. eta vs tors. theta energy: -90.815 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: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -968.277922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.277922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.277922 (E_RNA) where: Base-Base interactions energy: -666.864 where: short stacking energy: -265.075 Base-Backbone interact. energy: -1.185 local terms energy: -300.229596 where: bonds (distance) C4'-P energy: -52.383 bonds (distance) P-C4' energy: -68.319 flat angles C4'-P-C4' energy: -67.784 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -73.659 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: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -815.677004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.677004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.677004 (E_RNA) where: Base-Base interactions energy: -522.229 where: short stacking energy: -260.215 Base-Backbone interact. energy: -1.132 local terms energy: -292.316226 where: bonds (distance) C4'-P energy: -49.891 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -67.777 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -62.958 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: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -871.033286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.033286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.033286 (E_RNA) where: Base-Base interactions energy: -580.558 where: short stacking energy: -260.817 Base-Backbone interact. energy: 3.221 local terms energy: -293.696264 where: bonds (distance) C4'-P energy: -58.781 bonds (distance) P-C4' energy: -62.687 flat angles C4'-P-C4' energy: -61.706 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -65.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -659.786855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.786855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.786855 (E_RNA) where: Base-Base interactions energy: -420.120 where: short stacking energy: -195.327 Base-Backbone interact. energy: 2.965 local terms energy: -242.632361 where: bonds (distance) C4'-P energy: -49.184 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -63.853 flat angles P-C4'-P energy: -37.374 tors. eta vs tors. theta energy: -28.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -617.342799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.342799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.342799 (E_RNA) where: Base-Base interactions energy: -364.973 where: short stacking energy: -194.994 Base-Backbone interact. energy: -1.545 local terms energy: -250.824584 where: bonds (distance) C4'-P energy: -57.500 bonds (distance) P-C4' energy: -51.064 flat angles C4'-P-C4' energy: -52.749 flat angles P-C4'-P energy: -38.717 tors. eta vs tors. theta energy: -50.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -552.741004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.741004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.741004 (E_RNA) where: Base-Base interactions energy: -326.092 where: short stacking energy: -163.864 Base-Backbone interact. energy: -0.642 local terms energy: -226.006472 where: bonds (distance) C4'-P energy: -41.875 bonds (distance) P-C4' energy: -67.389 flat angles C4'-P-C4' energy: -53.834 flat angles P-C4'-P energy: -29.235 tors. eta vs tors. theta energy: -33.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -293.860966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.860966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.860966 (E_RNA) where: Base-Base interactions energy: -107.797 where: short stacking energy: -94.990 Base-Backbone interact. energy: 1.559 local terms energy: -187.623666 where: bonds (distance) C4'-P energy: -49.447 bonds (distance) P-C4' energy: -57.424 flat angles C4'-P-C4' energy: -51.003 flat angles P-C4'-P energy: -25.663 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -276.617129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.617129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.617129 (E_RNA) where: Base-Base interactions energy: -92.596 where: short stacking energy: -86.419 Base-Backbone interact. energy: 2.987 local terms energy: -187.008374 where: bonds (distance) C4'-P energy: -62.660 bonds (distance) P-C4' energy: -58.875 flat angles C4'-P-C4' energy: -55.647 flat angles P-C4'-P energy: -22.463 tors. eta vs tors. theta energy: 12.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1038.798064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.798064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.798064 (E_RNA) where: Base-Base interactions energy: -699.001 where: short stacking energy: -314.190 Base-Backbone interact. energy: -1.489 local terms energy: -338.308104 where: bonds (distance) C4'-P energy: -63.810 bonds (distance) P-C4' energy: -67.020 flat angles C4'-P-C4' energy: -75.316 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -86.796 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: 51 Temperature: 0.950000 Total energy: -1035.604222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.604222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.604222 (E_RNA) where: Base-Base interactions energy: -694.010 where: short stacking energy: -307.164 Base-Backbone interact. energy: 0.104 local terms energy: -341.698582 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -61.377 flat angles C4'-P-C4' energy: -78.251 flat angles P-C4'-P energy: -44.211 tors. eta vs tors. theta energy: -94.588 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: 51 Temperature: 1.000000 Total energy: -968.198197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.198197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.198197 (E_RNA) where: Base-Base interactions energy: -650.475 where: short stacking energy: -277.704 Base-Backbone interact. energy: -0.178 local terms energy: -317.545637 where: bonds (distance) C4'-P energy: -53.903 bonds (distance) P-C4' energy: -66.372 flat angles C4'-P-C4' energy: -65.841 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -81.435 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: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -899.829832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.829832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.829832 (E_RNA) where: Base-Base interactions energy: -596.235 where: short stacking energy: -267.795 Base-Backbone interact. energy: -2.799 local terms energy: -300.795792 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -40.725 tors. eta vs tors. theta energy: -70.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -817.329430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.329430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.329430 (E_RNA) where: Base-Base interactions energy: -530.271 where: short stacking energy: -237.009 Base-Backbone interact. energy: 0.050 local terms energy: -287.107899 where: bonds (distance) C4'-P energy: -62.058 bonds (distance) P-C4' energy: -53.968 flat angles C4'-P-C4' energy: -59.812 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -70.015 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: 51 Temperature: 1.150000 Total energy: -683.230230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.230230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.230230 (E_RNA) where: Base-Base interactions energy: -417.808 where: short stacking energy: -227.657 Base-Backbone interact. energy: -1.223 local terms energy: -264.199500 where: bonds (distance) C4'-P energy: -45.841 bonds (distance) P-C4' energy: -61.673 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -40.384 tors. eta vs tors. theta energy: -57.063 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: 51 Temperature: 1.200000 Total energy: -571.522992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.522992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.522992 (E_RNA) where: Base-Base interactions energy: -330.282 where: short stacking energy: -165.770 Base-Backbone interact. energy: -1.127 local terms energy: -240.113597 where: bonds (distance) C4'-P energy: -63.541 bonds (distance) P-C4' energy: -68.402 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -32.150 tors. eta vs tors. theta energy: -21.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -595.367113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.367113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.367113 (E_RNA) where: Base-Base interactions energy: -344.575 where: short stacking energy: -166.228 Base-Backbone interact. energy: -1.698 local terms energy: -249.094131 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -49.520 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -32.546 tors. eta vs tors. theta energy: -32.350 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: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -310.911970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.911970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.911970 (E_RNA) where: Base-Base interactions energy: -150.724 where: short stacking energy: -101.868 Base-Backbone interact. energy: 2.373 local terms energy: -162.560523 where: bonds (distance) C4'-P energy: -39.838 bonds (distance) P-C4' energy: -45.906 flat angles C4'-P-C4' energy: -54.448 flat angles P-C4'-P energy: -22.139 tors. eta vs tors. theta energy: -0.229 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: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -278.795910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.795910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.795910 (E_RNA) where: Base-Base interactions energy: -111.565 where: short stacking energy: -85.158 Base-Backbone interact. energy: -0.598 local terms energy: -166.632717 where: bonds (distance) C4'-P energy: -59.643 bonds (distance) P-C4' energy: -46.942 flat angles C4'-P-C4' energy: -52.627 flat angles P-C4'-P energy: -25.055 tors. eta vs tors. theta energy: 17.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1048.388477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.388477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.388477 (E_RNA) where: Base-Base interactions energy: -711.520 where: short stacking energy: -309.737 Base-Backbone interact. energy: 0.830 local terms energy: -337.698568 where: bonds (distance) C4'-P energy: -65.273 bonds (distance) P-C4' energy: -67.030 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -50.194 tors. eta vs tors. theta energy: -86.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1027.350656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.350656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.350656 (E_RNA) where: Base-Base interactions energy: -691.345 where: short stacking energy: -303.582 Base-Backbone interact. energy: -0.623 local terms energy: -335.382491 where: bonds (distance) C4'-P energy: -65.378 bonds (distance) P-C4' energy: -60.888 flat angles C4'-P-C4' energy: -78.440 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -93.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -967.878226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.878226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.878226 (E_RNA) where: Base-Base interactions energy: -660.394 where: short stacking energy: -290.701 Base-Backbone interact. energy: -2.747 local terms energy: -304.737615 where: bonds (distance) C4'-P energy: -55.685 bonds (distance) P-C4' energy: -63.203 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -37.972 tors. eta vs tors. theta energy: -81.369 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: 52 Temperature: 1.050000 Total energy: -902.961551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.961551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.961551 (E_RNA) where: Base-Base interactions energy: -611.379 where: short stacking energy: -268.328 Base-Backbone interact. energy: -1.074 local terms energy: -290.508429 where: bonds (distance) C4'-P energy: -59.387 bonds (distance) P-C4' energy: -51.273 flat angles C4'-P-C4' energy: -71.568 flat angles P-C4'-P energy: -33.015 tors. eta vs tors. theta energy: -75.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -787.294537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.294537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.294537 (E_RNA) where: Base-Base interactions energy: -520.858 where: short stacking energy: -238.222 Base-Backbone interact. energy: 0.105 local terms energy: -266.541639 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -45.913 flat angles C4'-P-C4' energy: -63.356 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: -59.967 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: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -632.567449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.567449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.567449 (E_RNA) where: Base-Base interactions energy: -375.016 where: short stacking energy: -192.818 Base-Backbone interact. energy: -0.597 local terms energy: -256.953937 where: bonds (distance) C4'-P energy: -65.266 bonds (distance) P-C4' energy: -40.398 flat angles C4'-P-C4' energy: -66.698 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -43.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -634.918553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.918553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.918553 (E_RNA) where: Base-Base interactions energy: -392.110 where: short stacking energy: -194.879 Base-Backbone interact. energy: 1.942 local terms energy: -244.750881 where: bonds (distance) C4'-P energy: -45.740 bonds (distance) P-C4' energy: -57.890 flat angles C4'-P-C4' energy: -56.742 flat angles P-C4'-P energy: -39.499 tors. eta vs tors. theta energy: -44.880 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: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -528.002007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.002007 (E_RNA) where: Base-Base interactions energy: -291.553 where: short stacking energy: -151.104 Base-Backbone interact. energy: 4.230 local terms energy: -240.678149 where: bonds (distance) C4'-P energy: -55.929 bonds (distance) P-C4' energy: -74.139 flat angles C4'-P-C4' energy: -46.765 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: -31.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -305.957703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.957703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.957703 (E_RNA) where: Base-Base interactions energy: -99.335 where: short stacking energy: -83.342 Base-Backbone interact. energy: -0.498 local terms energy: -206.124655 where: bonds (distance) C4'-P energy: -57.927 bonds (distance) P-C4' energy: -53.972 flat angles C4'-P-C4' energy: -56.761 flat angles P-C4'-P energy: -38.846 tors. eta vs tors. theta energy: 1.382 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: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -274.249542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.249542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.249542 (E_RNA) where: Base-Base interactions energy: -95.712 where: short stacking energy: -79.841 Base-Backbone interact. energy: 0.505 local terms energy: -179.043200 where: bonds (distance) C4'-P energy: -64.993 bonds (distance) P-C4' energy: -47.071 flat angles C4'-P-C4' energy: -46.262 flat angles P-C4'-P energy: -35.396 tors. eta vs tors. theta energy: 14.679 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: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1058.639017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.639017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.639017 (E_RNA) where: Base-Base interactions energy: -708.854 where: short stacking energy: -325.574 Base-Backbone interact. energy: -0.815 local terms energy: -348.970665 where: bonds (distance) C4'-P energy: -55.916 bonds (distance) P-C4' energy: -66.023 flat angles C4'-P-C4' energy: -73.533 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -98.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -984.092220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.092220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.092220 (E_RNA) where: Base-Base interactions energy: -661.375 where: short stacking energy: -294.485 Base-Backbone interact. energy: -1.689 local terms energy: -321.027896 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: -77.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1025.365247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.365247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.365247 (E_RNA) where: Base-Base interactions energy: -694.564 where: short stacking energy: -306.400 Base-Backbone interact. energy: -1.846 local terms energy: -328.954546 where: bonds (distance) C4'-P energy: -53.838 bonds (distance) P-C4' energy: -66.438 flat angles C4'-P-C4' energy: -70.012 flat angles P-C4'-P energy: -44.529 tors. eta vs tors. theta energy: -94.137 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: 53 Temperature: 1.050000 Total energy: -933.316094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.316094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.316094 (E_RNA) where: Base-Base interactions energy: -621.278 where: short stacking energy: -269.832 Base-Backbone interact. energy: -2.030 local terms energy: -310.008436 where: bonds (distance) C4'-P energy: -62.836 bonds (distance) P-C4' energy: -55.372 flat angles C4'-P-C4' energy: -66.617 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -76.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -803.525756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.525756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.525756 (E_RNA) where: Base-Base interactions energy: -528.268 where: short stacking energy: -245.861 Base-Backbone interact. energy: 0.870 local terms energy: -276.127984 where: bonds (distance) C4'-P energy: -44.919 bonds (distance) P-C4' energy: -54.025 flat angles C4'-P-C4' energy: -75.163 flat angles P-C4'-P energy: -28.844 tors. eta vs tors. theta energy: -73.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -691.975064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.975064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.975064 (E_RNA) where: Base-Base interactions energy: -455.529 where: short stacking energy: -207.221 Base-Backbone interact. energy: -2.024 local terms energy: -234.421735 where: bonds (distance) C4'-P energy: -56.217 bonds (distance) P-C4' energy: -44.372 flat angles C4'-P-C4' energy: -50.452 flat angles P-C4'-P energy: -33.431 tors. eta vs tors. theta energy: -49.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -566.300311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.300311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.300311 (E_RNA) where: Base-Base interactions energy: -321.543 where: short stacking energy: -168.472 Base-Backbone interact. energy: -2.402 local terms energy: -242.355419 where: bonds (distance) C4'-P energy: -53.466 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -56.667 flat angles P-C4'-P energy: -35.547 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -560.815208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.815208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.815208 (E_RNA) where: Base-Base interactions energy: -360.117 where: short stacking energy: -171.724 Base-Backbone interact. energy: -1.022 local terms energy: -199.676092 where: bonds (distance) C4'-P energy: -47.801 bonds (distance) P-C4' energy: -52.935 flat angles C4'-P-C4' energy: -48.049 flat angles P-C4'-P energy: -34.415 tors. eta vs tors. theta energy: -16.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -275.152762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.152762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.152762 (E_RNA) where: Base-Base interactions energy: -89.240 where: short stacking energy: -70.308 Base-Backbone interact. energy: -1.147 local terms energy: -184.765415 where: bonds (distance) C4'-P energy: -55.644 bonds (distance) P-C4' energy: -60.024 flat angles C4'-P-C4' energy: -54.533 flat angles P-C4'-P energy: -19.760 tors. eta vs tors. theta energy: 5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -299.450904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.450904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.450904 (E_RNA) where: Base-Base interactions energy: -119.623 where: short stacking energy: -91.442 Base-Backbone interact. energy: 1.894 local terms energy: -181.722167 where: bonds (distance) C4'-P energy: -47.774 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -47.398 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: 0.190 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: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1055.075335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.075335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.075335 (E_RNA) where: Base-Base interactions energy: -699.108 where: short stacking energy: -300.824 Base-Backbone interact. energy: 1.202 local terms energy: -357.168790 where: bonds (distance) C4'-P energy: -72.394 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -97.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -973.729081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.729081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.729081 (E_RNA) where: Base-Base interactions energy: -639.563 where: short stacking energy: -283.742 Base-Backbone interact. energy: -2.657 local terms energy: -331.508856 where: bonds (distance) C4'-P energy: -61.185 bonds (distance) P-C4' energy: -71.585 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -43.918 tors. eta vs tors. theta energy: -84.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1024.144033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.144033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.144033 (E_RNA) where: Base-Base interactions energy: -703.018 where: short stacking energy: -308.449 Base-Backbone interact. energy: -1.361 local terms energy: -319.765234 where: bonds (distance) C4'-P energy: -52.635 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -90.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -925.997279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.997279 (E_RNA) where: Base-Base interactions energy: -649.953 where: short stacking energy: -275.619 Base-Backbone interact. energy: -2.221 local terms energy: -273.822763 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -60.764 flat angles C4'-P-C4' energy: -57.900 flat angles P-C4'-P energy: -34.306 tors. eta vs tors. theta energy: -65.434 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: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -800.254196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.254196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.254196 (E_RNA) where: Base-Base interactions energy: -515.014 where: short stacking energy: -232.651 Base-Backbone interact. energy: -0.874 local terms energy: -284.366402 where: bonds (distance) C4'-P energy: -51.844 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -66.657 flat angles P-C4'-P energy: -30.999 tors. eta vs tors. theta energy: -73.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -693.098508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.098508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.098508 (E_RNA) where: Base-Base interactions energy: -428.370 where: short stacking energy: -194.746 Base-Backbone interact. energy: 0.820 local terms energy: -265.548875 where: bonds (distance) C4'-P energy: -52.325 bonds (distance) P-C4' energy: -64.022 flat angles C4'-P-C4' energy: -55.603 flat angles P-C4'-P energy: -49.097 tors. eta vs tors. theta energy: -44.501 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: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -661.820677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.820677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.820677 (E_RNA) where: Base-Base interactions energy: -395.143 where: short stacking energy: -197.679 Base-Backbone interact. energy: 1.498 local terms energy: -268.175933 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -56.413 flat angles C4'-P-C4' energy: -66.911 flat angles P-C4'-P energy: -33.413 tors. eta vs tors. theta energy: -51.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -565.497781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.497781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.497781 (E_RNA) where: Base-Base interactions energy: -336.798 where: short stacking energy: -178.528 Base-Backbone interact. energy: 0.432 local terms energy: -229.131971 where: bonds (distance) C4'-P energy: -56.355 bonds (distance) P-C4' energy: -47.052 flat angles C4'-P-C4' energy: -57.956 flat angles P-C4'-P energy: -29.725 tors. eta vs tors. theta energy: -38.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -285.901805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.901805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.901805 (E_RNA) where: Base-Base interactions energy: -104.814 where: short stacking energy: -83.516 Base-Backbone interact. energy: -0.466 local terms energy: -180.621963 where: bonds (distance) C4'-P energy: -53.011 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -44.671 flat angles P-C4'-P energy: -29.429 tors. eta vs tors. theta energy: 6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -262.342574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.342574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.342574 (E_RNA) where: Base-Base interactions energy: -87.404 where: short stacking energy: -74.306 Base-Backbone interact. energy: -0.758 local terms energy: -174.180741 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -32.882 flat angles P-C4'-P energy: -29.952 tors. eta vs tors. theta energy: 11.833 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: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1058.832188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.832188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.832188 (E_RNA) where: Base-Base interactions energy: -709.708 where: short stacking energy: -299.054 Base-Backbone interact. energy: -0.697 local terms energy: -348.427187 where: bonds (distance) C4'-P energy: -65.081 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -96.778 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: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1053.768190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.768190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.768190 (E_RNA) where: Base-Base interactions energy: -711.014 where: short stacking energy: -325.909 Base-Backbone interact. energy: -1.925 local terms energy: -340.829630 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -65.741 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -37.843 tors. eta vs tors. theta energy: -92.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -928.025648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.025648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.025648 (E_RNA) where: Base-Base interactions energy: -626.017 where: short stacking energy: -279.588 Base-Backbone interact. energy: 1.519 local terms energy: -303.527584 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -59.139 flat angles C4'-P-C4' energy: -66.824 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -75.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -956.099146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.099146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.099146 (E_RNA) where: Base-Base interactions energy: -633.124 where: short stacking energy: -280.454 Base-Backbone interact. energy: -1.030 local terms energy: -321.944695 where: bonds (distance) C4'-P energy: -68.041 bonds (distance) P-C4' energy: -56.682 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -42.832 tors. eta vs tors. theta energy: -90.204 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: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -807.586003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.586003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.586003 (E_RNA) where: Base-Base interactions energy: -531.680 where: short stacking energy: -229.569 Base-Backbone interact. energy: -0.971 local terms energy: -274.935559 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -68.641 flat angles P-C4'-P energy: -23.748 tors. eta vs tors. theta energy: -56.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -737.846103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.846103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.846103 (E_RNA) where: Base-Base interactions energy: -450.661 where: short stacking energy: -196.610 Base-Backbone interact. energy: 0.304 local terms energy: -287.489372 where: bonds (distance) C4'-P energy: -52.957 bonds (distance) P-C4' energy: -66.411 flat angles C4'-P-C4' energy: -63.141 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -55.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -693.052472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.052472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.052472 (E_RNA) where: Base-Base interactions energy: -447.172 where: short stacking energy: -213.342 Base-Backbone interact. energy: -0.763 local terms energy: -245.117779 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -48.059 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: -40.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -543.010675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.010675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.010675 (E_RNA) where: Base-Base interactions energy: -310.103 where: short stacking energy: -151.198 Base-Backbone interact. energy: 1.119 local terms energy: -234.026498 where: bonds (distance) C4'-P energy: -57.774 bonds (distance) P-C4' energy: -50.675 flat angles C4'-P-C4' energy: -59.163 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: -19.989 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: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -290.146832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.146832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.146832 (E_RNA) where: Base-Base interactions energy: -119.339 where: short stacking energy: -88.161 Base-Backbone interact. energy: -0.297 local terms energy: -170.510660 where: bonds (distance) C4'-P energy: -46.587 bonds (distance) P-C4' energy: -47.140 flat angles C4'-P-C4' energy: -63.897 flat angles P-C4'-P energy: -23.432 tors. eta vs tors. theta energy: 10.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -266.987454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.987454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.987454 (E_RNA) where: Base-Base interactions energy: -96.354 where: short stacking energy: -78.231 Base-Backbone interact. energy: -1.839 local terms energy: -168.794286 where: bonds (distance) C4'-P energy: -56.006 bonds (distance) P-C4' energy: -49.845 flat angles C4'-P-C4' energy: -44.422 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: 13.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1071.778299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.778299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.778299 (E_RNA) where: Base-Base interactions energy: -717.517 where: short stacking energy: -326.748 Base-Backbone interact. energy: -4.413 local terms energy: -349.848391 where: bonds (distance) C4'-P energy: -69.337 bonds (distance) P-C4' energy: -66.586 flat angles C4'-P-C4' energy: -69.015 flat angles P-C4'-P energy: -48.299 tors. eta vs tors. theta energy: -96.611 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1030.301127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.301127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.301127 (E_RNA) where: Base-Base interactions energy: -688.948 where: short stacking energy: -304.219 Base-Backbone interact. energy: -1.353 local terms energy: -340.000094 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -60.445 flat angles C4'-P-C4' energy: -75.212 flat angles P-C4'-P energy: -52.033 tors. eta vs tors. theta energy: -82.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -990.529010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.529010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.529010 (E_RNA) where: Base-Base interactions energy: -664.038 where: short stacking energy: -285.713 Base-Backbone interact. energy: -0.871 local terms energy: -325.620378 where: bonds (distance) C4'-P energy: -53.311 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -79.423 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -85.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -907.874414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.874414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.874414 (E_RNA) where: Base-Base interactions energy: -620.241 where: short stacking energy: -255.300 Base-Backbone interact. energy: -2.613 local terms energy: -285.020512 where: bonds (distance) C4'-P energy: -45.089 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -60.465 flat angles P-C4'-P energy: -39.552 tors. eta vs tors. theta energy: -77.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -821.793840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.793840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.793840 (E_RNA) where: Base-Base interactions energy: -540.118 where: short stacking energy: -250.741 Base-Backbone interact. energy: 2.326 local terms energy: -284.002564 where: bonds (distance) C4'-P energy: -52.319 bonds (distance) P-C4' energy: -55.879 flat angles C4'-P-C4' energy: -56.946 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: -75.902 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -692.564815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.564815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.564815 (E_RNA) where: Base-Base interactions energy: -447.618 where: short stacking energy: -203.825 Base-Backbone interact. energy: 0.194 local terms energy: -245.140189 where: bonds (distance) C4'-P energy: -41.860 bonds (distance) P-C4' energy: -65.579 flat angles C4'-P-C4' energy: -50.750 flat angles P-C4'-P energy: -43.968 tors. eta vs tors. theta energy: -42.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -675.964007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.964007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.964007 (E_RNA) where: Base-Base interactions energy: -412.100 where: short stacking energy: -189.495 Base-Backbone interact. energy: -0.178 local terms energy: -263.685763 where: bonds (distance) C4'-P energy: -56.454 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -53.449 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -50.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -532.432814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.432814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.432814 (E_RNA) where: Base-Base interactions energy: -312.209 where: short stacking energy: -167.471 Base-Backbone interact. energy: -1.555 local terms energy: -218.668381 where: bonds (distance) C4'-P energy: -59.409 bonds (distance) P-C4' energy: -45.594 flat angles C4'-P-C4' energy: -57.047 flat angles P-C4'-P energy: -34.838 tors. eta vs tors. theta energy: -21.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -303.458833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.458833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.458833 (E_RNA) where: Base-Base interactions energy: -142.919 where: short stacking energy: -98.580 Base-Backbone interact. energy: -0.872 local terms energy: -159.668116 where: bonds (distance) C4'-P energy: -54.048 bonds (distance) P-C4' energy: -44.084 flat angles C4'-P-C4' energy: -47.348 flat angles P-C4'-P energy: -21.103 tors. eta vs tors. theta energy: 6.916 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: 56 Temperature: 1.350000 Total energy: -263.397036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.397036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.397036 (E_RNA) where: Base-Base interactions energy: -80.443 where: short stacking energy: -75.138 Base-Backbone interact. energy: -0.713 local terms energy: -182.240870 where: bonds (distance) C4'-P energy: -63.743 bonds (distance) P-C4' energy: -54.999 flat angles C4'-P-C4' energy: -43.829 flat angles P-C4'-P energy: -27.982 tors. eta vs tors. theta energy: 8.313 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: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1074.279830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.279830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.279830 (E_RNA) where: Base-Base interactions energy: -709.134 where: short stacking energy: -317.257 Base-Backbone interact. energy: -4.971 local terms energy: -360.175456 where: bonds (distance) C4'-P energy: -67.910 bonds (distance) P-C4' energy: -68.353 flat angles C4'-P-C4' energy: -80.873 flat angles P-C4'-P energy: -50.031 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: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1009.562916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.562916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.562916 (E_RNA) where: Base-Base interactions energy: -683.342 where: short stacking energy: -297.616 Base-Backbone interact. energy: -1.357 local terms energy: -324.863760 where: bonds (distance) C4'-P energy: -64.722 bonds (distance) P-C4' energy: -60.903 flat angles C4'-P-C4' energy: -73.325 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -78.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -998.645811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.645811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.645811 (E_RNA) where: Base-Base interactions energy: -679.251 where: short stacking energy: -305.688 Base-Backbone interact. energy: 1.023 local terms energy: -320.418079 where: bonds (distance) C4'-P energy: -57.001 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -66.664 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -91.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -894.758168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.758168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.758168 (E_RNA) where: Base-Base interactions energy: -608.399 where: short stacking energy: -247.164 Base-Backbone interact. energy: -2.141 local terms energy: -284.217972 where: bonds (distance) C4'-P energy: -61.370 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -66.862 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: -58.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -795.090405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.090405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.090405 (E_RNA) where: Base-Base interactions energy: -513.289 where: short stacking energy: -231.723 Base-Backbone interact. energy: -1.546 local terms energy: -280.255075 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -66.295 flat angles C4'-P-C4' energy: -55.282 flat angles P-C4'-P energy: -34.149 tors. eta vs tors. theta energy: -65.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -684.582199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.582199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.582199 (E_RNA) where: Base-Base interactions energy: -428.418 where: short stacking energy: -217.427 Base-Backbone interact. energy: -0.486 local terms energy: -255.678917 where: bonds (distance) C4'-P energy: -42.762 bonds (distance) P-C4' energy: -57.852 flat angles C4'-P-C4' energy: -65.727 flat angles P-C4'-P energy: -32.486 tors. eta vs tors. theta energy: -56.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -630.433929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.433929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.433929 (E_RNA) where: Base-Base interactions energy: -412.706 where: short stacking energy: -192.980 Base-Backbone interact. energy: -0.812 local terms energy: -216.915513 where: bonds (distance) C4'-P energy: -59.418 bonds (distance) P-C4' energy: -36.800 flat angles C4'-P-C4' energy: -43.232 flat angles P-C4'-P energy: -28.744 tors. eta vs tors. theta energy: -48.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -525.304700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.304700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.304700 (E_RNA) where: Base-Base interactions energy: -307.155 where: short stacking energy: -162.310 Base-Backbone interact. energy: 1.550 local terms energy: -219.699983 where: bonds (distance) C4'-P energy: -45.188 bonds (distance) P-C4' energy: -42.345 flat angles C4'-P-C4' energy: -62.588 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -32.397 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -294.833032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.833032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.833032 (E_RNA) where: Base-Base interactions energy: -123.761 where: short stacking energy: -92.074 Base-Backbone interact. energy: -3.352 local terms energy: -167.719118 where: bonds (distance) C4'-P energy: -44.101 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -45.605 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: 6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -261.736057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.736057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.736057 (E_RNA) where: Base-Base interactions energy: -92.778 where: short stacking energy: -76.835 Base-Backbone interact. energy: 0.374 local terms energy: -169.332354 where: bonds (distance) C4'-P energy: -45.669 bonds (distance) P-C4' energy: -48.320 flat angles C4'-P-C4' energy: -46.374 flat angles P-C4'-P energy: -23.025 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1075.814126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.814126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.814126 (E_RNA) where: Base-Base interactions energy: -736.348 where: short stacking energy: -322.838 Base-Backbone interact. energy: 0.194 local terms energy: -339.660591 where: bonds (distance) C4'-P energy: -65.814 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -67.035 flat angles P-C4'-P energy: -47.419 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: 2, replica: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1022.867368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.867368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.867368 (E_RNA) where: Base-Base interactions energy: -688.513 where: short stacking energy: -295.392 Base-Backbone interact. energy: -0.881 local terms energy: -333.474195 where: bonds (distance) C4'-P energy: -63.676 bonds (distance) P-C4' energy: -66.918 flat angles C4'-P-C4' energy: -71.717 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -86.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -979.867021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.867021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.867021 (E_RNA) where: Base-Base interactions energy: -673.670 where: short stacking energy: -288.718 Base-Backbone interact. energy: -1.493 local terms energy: -304.703969 where: bonds (distance) C4'-P energy: -60.647 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -69.655 flat angles P-C4'-P energy: -26.595 tors. eta vs tors. theta energy: -82.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -891.443977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.443977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.443977 (E_RNA) where: Base-Base interactions energy: -579.692 where: short stacking energy: -251.925 Base-Backbone interact. energy: 2.498 local terms energy: -314.249748 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -64.916 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -63.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -811.609093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.609093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.609093 (E_RNA) where: Base-Base interactions energy: -523.837 where: short stacking energy: -230.286 Base-Backbone interact. energy: -0.191 local terms energy: -287.581321 where: bonds (distance) C4'-P energy: -59.050 bonds (distance) P-C4' energy: -54.125 flat angles C4'-P-C4' energy: -62.360 flat angles P-C4'-P energy: -38.584 tors. eta vs tors. theta energy: -73.463 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: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -710.814349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.814349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.814349 (E_RNA) where: Base-Base interactions energy: -450.968 where: short stacking energy: -221.821 Base-Backbone interact. energy: -1.270 local terms energy: -258.576434 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -57.069 flat angles C4'-P-C4' energy: -57.448 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: -53.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -673.339440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.339440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.339440 (E_RNA) where: Base-Base interactions energy: -421.648 where: short stacking energy: -195.260 Base-Backbone interact. energy: -1.516 local terms energy: -250.176196 where: bonds (distance) C4'-P energy: -54.542 bonds (distance) P-C4' energy: -48.484 flat angles C4'-P-C4' energy: -60.828 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -44.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -528.633196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.633196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.633196 (E_RNA) where: Base-Base interactions energy: -324.212 where: short stacking energy: -143.918 Base-Backbone interact. energy: -0.382 local terms energy: -204.039482 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -58.393 flat angles C4'-P-C4' energy: -46.459 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: -16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -313.266290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.266290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.266290 (E_RNA) where: Base-Base interactions energy: -127.403 where: short stacking energy: -99.763 Base-Backbone interact. energy: -0.308 local terms energy: -185.554744 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -40.217 flat angles C4'-P-C4' energy: -57.647 flat angles P-C4'-P energy: -22.243 tors. eta vs tors. theta energy: -8.432 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: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -326.089375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.089375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.089375 (E_RNA) where: Base-Base interactions energy: -147.571 where: short stacking energy: -91.960 Base-Backbone interact. energy: -2.003 local terms energy: -176.515093 where: bonds (distance) C4'-P energy: -51.634 bonds (distance) P-C4' energy: -56.795 flat angles C4'-P-C4' energy: -44.285 flat angles P-C4'-P energy: -19.239 tors. eta vs tors. theta energy: -4.561 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: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1074.884232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.884232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.884232 (E_RNA) where: Base-Base interactions energy: -718.259 where: short stacking energy: -317.238 Base-Backbone interact. energy: -1.910 local terms energy: -354.715216 where: bonds (distance) C4'-P energy: -65.193 bonds (distance) P-C4' energy: -66.684 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -94.394 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: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1030.774448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.774448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.774448 (E_RNA) where: Base-Base interactions energy: -686.298 where: short stacking energy: -300.596 Base-Backbone interact. energy: -1.013 local terms energy: -343.462875 where: bonds (distance) C4'-P energy: -67.671 bonds (distance) P-C4' energy: -66.509 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -51.628 tors. eta vs tors. theta energy: -89.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -956.459645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.459645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.459645 (E_RNA) where: Base-Base interactions energy: -638.432 where: short stacking energy: -285.411 Base-Backbone interact. energy: -0.018 local terms energy: -318.009809 where: bonds (distance) C4'-P energy: -63.307 bonds (distance) P-C4' energy: -47.201 flat angles C4'-P-C4' energy: -71.544 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -86.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -849.602761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.602761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.602761 (E_RNA) where: Base-Base interactions energy: -550.078 where: short stacking energy: -247.337 Base-Backbone interact. energy: -1.676 local terms energy: -297.849353 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -66.143 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -43.407 tors. eta vs tors. theta energy: -59.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -796.546059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.546059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.546059 (E_RNA) where: Base-Base interactions energy: -519.281 where: short stacking energy: -252.762 Base-Backbone interact. energy: -0.785 local terms energy: -276.480281 where: bonds (distance) C4'-P energy: -54.382 bonds (distance) P-C4' energy: -57.505 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -42.199 tors. eta vs tors. theta energy: -58.424 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: 59 Temperature: 1.150000 Total energy: -689.708725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.708725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.708725 (E_RNA) where: Base-Base interactions energy: -430.521 where: short stacking energy: -208.870 Base-Backbone interact. energy: -1.213 local terms energy: -257.975608 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -57.726 flat angles C4'-P-C4' energy: -57.978 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -49.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -678.053247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.053247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.053247 (E_RNA) where: Base-Base interactions energy: -430.985 where: short stacking energy: -207.346 Base-Backbone interact. energy: -1.212 local terms energy: -245.855515 where: bonds (distance) C4'-P energy: -54.983 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -63.007 flat angles P-C4'-P energy: -34.547 tors. eta vs tors. theta energy: -31.572 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: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -540.005945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.005945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.005945 (E_RNA) where: Base-Base interactions energy: -315.326 where: short stacking energy: -151.867 Base-Backbone interact. energy: -1.874 local terms energy: -222.805489 where: bonds (distance) C4'-P energy: -47.638 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -45.933 flat angles P-C4'-P energy: -38.844 tors. eta vs tors. theta energy: -26.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -311.338634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.338634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.338634 (E_RNA) where: Base-Base interactions energy: -118.723 where: short stacking energy: -81.760 Base-Backbone interact. energy: -1.919 local terms energy: -190.696783 where: bonds (distance) C4'-P energy: -47.149 bonds (distance) P-C4' energy: -63.558 flat angles C4'-P-C4' energy: -54.778 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: 10.028 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: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -276.514426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.514426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.514426 (E_RNA) where: Base-Base interactions energy: -92.460 where: short stacking energy: -69.553 Base-Backbone interact. energy: -0.241 local terms energy: -183.813279 where: bonds (distance) C4'-P energy: -53.273 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -49.586 flat angles P-C4'-P energy: -20.280 tors. eta vs tors. theta energy: 0.294 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: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1055.421155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.421155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.421155 (E_RNA) where: Base-Base interactions energy: -704.785 where: short stacking energy: -327.363 Base-Backbone interact. energy: 0.111 local terms energy: -350.746705 where: bonds (distance) C4'-P energy: -67.845 bonds (distance) P-C4' energy: -60.877 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: -97.152 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: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1039.183007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.183007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.183007 (E_RNA) where: Base-Base interactions energy: -695.730 where: short stacking energy: -305.227 Base-Backbone interact. energy: 1.038 local terms energy: -344.491065 where: bonds (distance) C4'-P energy: -69.229 bonds (distance) P-C4' energy: -64.404 flat angles C4'-P-C4' energy: -76.801 flat angles P-C4'-P energy: -45.560 tors. eta vs tors. theta energy: -88.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -982.434610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.434610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.434610 (E_RNA) where: Base-Base interactions energy: -651.354 where: short stacking energy: -301.769 Base-Backbone interact. energy: -0.890 local terms energy: -330.190451 where: bonds (distance) C4'-P energy: -66.589 bonds (distance) P-C4' energy: -62.771 flat angles C4'-P-C4' energy: -65.767 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -81.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -841.565752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.565752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.565752 (E_RNA) where: Base-Base interactions energy: -567.964 where: short stacking energy: -247.552 Base-Backbone interact. energy: -0.491 local terms energy: -273.109844 where: bonds (distance) C4'-P energy: -49.239 bonds (distance) P-C4' energy: -61.484 flat angles C4'-P-C4' energy: -71.444 flat angles P-C4'-P energy: -29.392 tors. eta vs tors. theta energy: -61.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -818.872582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.872582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.872582 (E_RNA) where: Base-Base interactions energy: -508.498 where: short stacking energy: -245.973 Base-Backbone interact. energy: -0.541 local terms energy: -309.832777 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -64.346 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -76.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -694.557657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.557657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.557657 (E_RNA) where: Base-Base interactions energy: -419.551 where: short stacking energy: -206.163 Base-Backbone interact. energy: 0.276 local terms energy: -275.282540 where: bonds (distance) C4'-P energy: -44.853 bonds (distance) P-C4' energy: -65.048 flat angles C4'-P-C4' energy: -59.576 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -64.245 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: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -663.941107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.941107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.941107 (E_RNA) where: Base-Base interactions energy: -403.579 where: short stacking energy: -200.123 Base-Backbone interact. energy: 0.036 local terms energy: -260.397622 where: bonds (distance) C4'-P energy: -58.755 bonds (distance) P-C4' energy: -66.270 flat angles C4'-P-C4' energy: -57.829 flat angles P-C4'-P energy: -25.565 tors. eta vs tors. theta energy: -51.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -514.420781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.420781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.420781 (E_RNA) where: Base-Base interactions energy: -302.364 where: short stacking energy: -157.961 Base-Backbone interact. energy: 3.590 local terms energy: -215.646985 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -45.559 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: -13.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -330.215018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.215018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.215018 (E_RNA) where: Base-Base interactions energy: -142.229 where: short stacking energy: -92.657 Base-Backbone interact. energy: -1.613 local terms energy: -186.373147 where: bonds (distance) C4'-P energy: -55.671 bonds (distance) P-C4' energy: -57.515 flat angles C4'-P-C4' energy: -45.893 flat angles P-C4'-P energy: -27.368 tors. eta vs tors. theta energy: 0.073 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: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -267.231595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.231595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.231595 (E_RNA) where: Base-Base interactions energy: -88.953 where: short stacking energy: -80.433 Base-Backbone interact. energy: -2.146 local terms energy: -176.132427 where: bonds (distance) C4'-P energy: -50.178 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -29.468 flat angles P-C4'-P energy: -36.644 tors. eta vs tors. theta energy: 3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1054.842038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.842038 (E_RNA) where: Base-Base interactions energy: -706.584 where: short stacking energy: -297.330 Base-Backbone interact. energy: -3.835 local terms energy: -344.422641 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -76.065 flat angles P-C4'-P energy: -52.219 tors. eta vs tors. theta energy: -88.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1051.265233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.265233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.265233 (E_RNA) where: Base-Base interactions energy: -721.216 where: short stacking energy: -314.018 Base-Backbone interact. energy: -2.333 local terms energy: -327.716458 where: bonds (distance) C4'-P energy: -65.460 bonds (distance) P-C4' energy: -52.138 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -92.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1010.247539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.247539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.247539 (E_RNA) where: Base-Base interactions energy: -684.353 where: short stacking energy: -305.520 Base-Backbone interact. energy: -1.336 local terms energy: -324.558934 where: bonds (distance) C4'-P energy: -61.929 bonds (distance) P-C4' energy: -62.623 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -42.228 tors. eta vs tors. theta energy: -92.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -861.819378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.819378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.819378 (E_RNA) where: Base-Base interactions energy: -556.647 where: short stacking energy: -262.308 Base-Backbone interact. energy: 0.029 local terms energy: -305.201748 where: bonds (distance) C4'-P energy: -55.566 bonds (distance) P-C4' energy: -58.573 flat angles C4'-P-C4' energy: -66.423 flat angles P-C4'-P energy: -46.957 tors. eta vs tors. theta energy: -77.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -821.623968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.623968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.623968 (E_RNA) where: Base-Base interactions energy: -538.891 where: short stacking energy: -226.502 Base-Backbone interact. energy: -3.177 local terms energy: -279.555703 where: bonds (distance) C4'-P energy: -56.440 bonds (distance) P-C4' energy: -58.342 flat angles C4'-P-C4' energy: -63.144 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: -60.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -778.889844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.889844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.889844 (E_RNA) where: Base-Base interactions energy: -501.808 where: short stacking energy: -220.933 Base-Backbone interact. energy: 4.431 local terms energy: -281.512319 where: bonds (distance) C4'-P energy: -56.298 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -43.609 tors. eta vs tors. theta energy: -52.985 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: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -674.786977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.786977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.786977 (E_RNA) where: Base-Base interactions energy: -404.239 where: short stacking energy: -207.313 Base-Backbone interact. energy: -0.185 local terms energy: -270.362346 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -53.290 flat angles C4'-P-C4' energy: -65.413 flat angles P-C4'-P energy: -32.120 tors. eta vs tors. theta energy: -61.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -502.905266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.905266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.905266 (E_RNA) where: Base-Base interactions energy: -282.903 where: short stacking energy: -157.474 Base-Backbone interact. energy: -0.474 local terms energy: -219.528220 where: bonds (distance) C4'-P energy: -62.130 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -46.983 flat angles P-C4'-P energy: -28.410 tors. eta vs tors. theta energy: -20.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -312.337083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.337083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.337083 (E_RNA) where: Base-Base interactions energy: -154.631 where: short stacking energy: -97.119 Base-Backbone interact. energy: 0.152 local terms energy: -157.858163 where: bonds (distance) C4'-P energy: -43.438 bonds (distance) P-C4' energy: -42.198 flat angles C4'-P-C4' energy: -56.524 flat angles P-C4'-P energy: -28.107 tors. eta vs tors. theta energy: 12.409 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: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -298.448866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.448866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.448866 (E_RNA) where: Base-Base interactions energy: -112.191 where: short stacking energy: -95.778 Base-Backbone interact. energy: 7.283 local terms energy: -193.540969 where: bonds (distance) C4'-P energy: -51.174 bonds (distance) P-C4' energy: -51.302 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -38.803 tors. eta vs tors. theta energy: 2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1064.782340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.782340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.782340 (E_RNA) where: Base-Base interactions energy: -721.757 where: short stacking energy: -320.336 Base-Backbone interact. energy: -2.520 local terms energy: -340.505786 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -62.998 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -100.441 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: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1039.449411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.449411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.449411 (E_RNA) where: Base-Base interactions energy: -695.476 where: short stacking energy: -310.506 Base-Backbone interact. energy: -1.946 local terms energy: -342.026994 where: bonds (distance) C4'-P energy: -64.986 bonds (distance) P-C4' energy: -73.334 flat angles C4'-P-C4' energy: -73.374 flat angles P-C4'-P energy: -43.141 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: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -986.096085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.096085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.096085 (E_RNA) where: Base-Base interactions energy: -649.091 where: short stacking energy: -272.021 Base-Backbone interact. energy: -1.193 local terms energy: -335.812060 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -62.215 flat angles C4'-P-C4' energy: -74.865 flat angles P-C4'-P energy: -46.175 tors. eta vs tors. theta energy: -86.144 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: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -865.447916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.447916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.447916 (E_RNA) where: Base-Base interactions energy: -557.328 where: short stacking energy: -265.213 Base-Backbone interact. energy: -2.251 local terms energy: -305.868975 where: bonds (distance) C4'-P energy: -47.184 bonds (distance) P-C4' energy: -67.889 flat angles C4'-P-C4' energy: -68.147 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: -76.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -807.981106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.981106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.981106 (E_RNA) where: Base-Base interactions energy: -519.759 where: short stacking energy: -230.426 Base-Backbone interact. energy: -2.707 local terms energy: -285.514809 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -66.737 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -31.041 tors. eta vs tors. theta energy: -60.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -864.850538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.850538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.850538 (E_RNA) where: Base-Base interactions energy: -565.020 where: short stacking energy: -262.510 Base-Backbone interact. energy: -0.489 local terms energy: -299.340891 where: bonds (distance) C4'-P energy: -62.820 bonds (distance) P-C4' energy: -54.812 flat angles C4'-P-C4' energy: -57.237 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -80.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -637.330733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.330733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.330733 (E_RNA) where: Base-Base interactions energy: -386.445 where: short stacking energy: -190.424 Base-Backbone interact. energy: -1.711 local terms energy: -249.174957 where: bonds (distance) C4'-P energy: -60.799 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -51.123 flat angles P-C4'-P energy: -32.099 tors. eta vs tors. theta energy: -45.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -521.079917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.079917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.079917 (E_RNA) where: Base-Base interactions energy: -307.948 where: short stacking energy: -164.987 Base-Backbone interact. energy: 2.638 local terms energy: -215.770387 where: bonds (distance) C4'-P energy: -50.896 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -53.193 flat angles P-C4'-P energy: -29.336 tors. eta vs tors. theta energy: -27.997 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: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -337.226943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.226943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.226943 (E_RNA) where: Base-Base interactions energy: -155.815 where: short stacking energy: -97.995 Base-Backbone interact. energy: -1.014 local terms energy: -180.397877 where: bonds (distance) C4'-P energy: -44.181 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -37.923 flat angles P-C4'-P energy: -35.105 tors. eta vs tors. theta energy: -6.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -263.821341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.821341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.821341 (E_RNA) where: Base-Base interactions energy: -85.995 where: short stacking energy: -73.175 Base-Backbone interact. energy: 4.881 local terms energy: -182.707542 where: bonds (distance) C4'-P energy: -52.520 bonds (distance) P-C4' energy: -61.627 flat angles C4'-P-C4' energy: -64.378 flat angles P-C4'-P energy: -17.269 tors. eta vs tors. theta energy: 13.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1072.774952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.774952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.774952 (E_RNA) where: Base-Base interactions energy: -715.031 where: short stacking energy: -313.213 Base-Backbone interact. energy: -4.942 local terms energy: -352.801664 where: bonds (distance) C4'-P energy: -64.793 bonds (distance) P-C4' energy: -62.493 flat angles C4'-P-C4' energy: -73.153 flat angles P-C4'-P energy: -49.380 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: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1036.502363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.502363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.502363 (E_RNA) where: Base-Base interactions energy: -698.911 where: short stacking energy: -315.202 Base-Backbone interact. energy: -0.440 local terms energy: -337.152041 where: bonds (distance) C4'-P energy: -53.122 bonds (distance) P-C4' energy: -69.125 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -95.164 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: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -954.178254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.178254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.178254 (E_RNA) where: Base-Base interactions energy: -633.731 where: short stacking energy: -268.407 Base-Backbone interact. energy: -0.769 local terms energy: -319.677773 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -72.771 flat angles P-C4'-P energy: -50.601 tors. eta vs tors. theta energy: -76.137 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: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -911.708334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.708334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.708334 (E_RNA) where: Base-Base interactions energy: -591.307 where: short stacking energy: -263.388 Base-Backbone interact. energy: -1.458 local terms energy: -318.942667 where: bonds (distance) C4'-P energy: -63.709 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -67.757 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -82.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -809.334065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.334065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.334065 (E_RNA) where: Base-Base interactions energy: -515.397 where: short stacking energy: -235.814 Base-Backbone interact. energy: 0.235 local terms energy: -294.172798 where: bonds (distance) C4'-P energy: -59.439 bonds (distance) P-C4' energy: -57.335 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -69.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -824.145164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.145164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.145164 (E_RNA) where: Base-Base interactions energy: -522.481 where: short stacking energy: -220.256 Base-Backbone interact. energy: -2.067 local terms energy: -299.597489 where: bonds (distance) C4'-P energy: -68.706 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -35.794 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: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -650.804185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.804185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.804185 (E_RNA) where: Base-Base interactions energy: -421.059 where: short stacking energy: -183.533 Base-Backbone interact. energy: 0.854 local terms energy: -230.598977 where: bonds (distance) C4'-P energy: -54.676 bonds (distance) P-C4' energy: -53.361 flat angles C4'-P-C4' energy: -51.949 flat angles P-C4'-P energy: -40.428 tors. eta vs tors. theta energy: -30.185 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: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -538.643312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.643312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.643312 (E_RNA) where: Base-Base interactions energy: -307.633 where: short stacking energy: -157.095 Base-Backbone interact. energy: 2.142 local terms energy: -233.152080 where: bonds (distance) C4'-P energy: -53.270 bonds (distance) P-C4' energy: -63.141 flat angles C4'-P-C4' energy: -55.585 flat angles P-C4'-P energy: -30.720 tors. eta vs tors. theta energy: -30.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -325.684920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.684920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.684920 (E_RNA) where: Base-Base interactions energy: -164.507 where: short stacking energy: -100.582 Base-Backbone interact. energy: 2.963 local terms energy: -164.141386 where: bonds (distance) C4'-P energy: -46.379 bonds (distance) P-C4' energy: -50.457 flat angles C4'-P-C4' energy: -50.789 flat angles P-C4'-P energy: -16.802 tors. eta vs tors. theta energy: 0.286 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: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -286.552494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.552494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.552494 (E_RNA) where: Base-Base interactions energy: -108.990 where: short stacking energy: -88.138 Base-Backbone interact. energy: -0.752 local terms energy: -176.810602 where: bonds (distance) C4'-P energy: -43.991 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -51.941 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1048.710051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.710051 (E_RNA) where: Base-Base interactions energy: -701.834 where: short stacking energy: -303.574 Base-Backbone interact. energy: -0.298 local terms energy: -346.577915 where: bonds (distance) C4'-P energy: -62.110 bonds (distance) P-C4' energy: -71.472 flat angles C4'-P-C4' energy: -76.800 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: -85.532 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: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1046.534803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.534803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.534803 (E_RNA) where: Base-Base interactions energy: -704.011 where: short stacking energy: -310.535 Base-Backbone interact. energy: -0.838 local terms energy: -341.685910 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -66.344 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -40.068 tors. eta vs tors. theta energy: -94.433 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -957.846314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.846314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.846314 (E_RNA) where: Base-Base interactions energy: -641.630 where: short stacking energy: -282.998 Base-Backbone interact. energy: -2.049 local terms energy: -314.167368 where: bonds (distance) C4'-P energy: -54.797 bonds (distance) P-C4' energy: -60.075 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -41.591 tors. eta vs tors. theta energy: -86.834 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: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -962.853867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.853867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.853867 (E_RNA) where: Base-Base interactions energy: -650.271 where: short stacking energy: -301.188 Base-Backbone interact. energy: -1.100 local terms energy: -311.483325 where: bonds (distance) C4'-P energy: -58.303 bonds (distance) P-C4' energy: -64.650 flat angles C4'-P-C4' energy: -60.107 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -85.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -920.230817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.230817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.230817 (E_RNA) where: Base-Base interactions energy: -628.076 where: short stacking energy: -266.857 Base-Backbone interact. energy: -0.185 local terms energy: -291.969822 where: bonds (distance) C4'-P energy: -65.548 bonds (distance) P-C4' energy: -43.321 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -78.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -793.977934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.977934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.977934 (E_RNA) where: Base-Base interactions energy: -523.060 where: short stacking energy: -236.538 Base-Backbone interact. energy: -0.671 local terms energy: -270.247350 where: bonds (distance) C4'-P energy: -53.914 bonds (distance) P-C4' energy: -60.937 flat angles C4'-P-C4' energy: -56.538 flat angles P-C4'-P energy: -36.440 tors. eta vs tors. theta energy: -62.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -619.643391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.643391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.643391 (E_RNA) where: Base-Base interactions energy: -383.830 where: short stacking energy: -173.812 Base-Backbone interact. energy: 0.753 local terms energy: -236.567058 where: bonds (distance) C4'-P energy: -49.834 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -37.951 tors. eta vs tors. theta energy: -36.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -494.010791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.010791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.010791 (E_RNA) where: Base-Base interactions energy: -265.617 where: short stacking energy: -133.178 Base-Backbone interact. energy: -1.795 local terms energy: -226.598613 where: bonds (distance) C4'-P energy: -47.691 bonds (distance) P-C4' energy: -68.377 flat angles C4'-P-C4' energy: -50.068 flat angles P-C4'-P energy: -35.126 tors. eta vs tors. theta energy: -25.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -320.826992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.826992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.826992 (E_RNA) where: Base-Base interactions energy: -143.138 where: short stacking energy: -88.454 Base-Backbone interact. energy: 0.178 local terms energy: -177.867145 where: bonds (distance) C4'-P energy: -47.153 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -17.252 tors. eta vs tors. theta energy: 1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -271.919396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.919396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.919396 (E_RNA) where: Base-Base interactions energy: -101.146 where: short stacking energy: -88.014 Base-Backbone interact. energy: 0.537 local terms energy: -171.310041 where: bonds (distance) C4'-P energy: -50.459 bonds (distance) P-C4' energy: -52.330 flat angles C4'-P-C4' energy: -53.649 flat angles P-C4'-P energy: -19.240 tors. eta vs tors. theta energy: 4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1065.613068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.613068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.613068 (E_RNA) where: Base-Base interactions energy: -713.816 where: short stacking energy: -320.932 Base-Backbone interact. energy: -1.713 local terms energy: -350.083607 where: bonds (distance) C4'-P energy: -62.748 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -75.953 flat angles P-C4'-P energy: -50.833 tors. eta vs tors. theta energy: -91.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1056.419361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.419361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.419361 (E_RNA) where: Base-Base interactions energy: -712.768 where: short stacking energy: -325.043 Base-Backbone interact. energy: -3.381 local terms energy: -340.270792 where: bonds (distance) C4'-P energy: -65.708 bonds (distance) P-C4' energy: -67.272 flat angles C4'-P-C4' energy: -71.024 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: -97.016 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: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -930.116436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.116436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.116436 (E_RNA) where: Base-Base interactions energy: -626.245 where: short stacking energy: -274.265 Base-Backbone interact. energy: -2.105 local terms energy: -301.766354 where: bonds (distance) C4'-P energy: -58.473 bonds (distance) P-C4' energy: -62.550 flat angles C4'-P-C4' energy: -71.874 flat angles P-C4'-P energy: -30.612 tors. eta vs tors. theta energy: -78.258 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: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -935.772767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.772767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.772767 (E_RNA) where: Base-Base interactions energy: -642.208 where: short stacking energy: -274.766 Base-Backbone interact. energy: -0.789 local terms energy: -292.776224 where: bonds (distance) C4'-P energy: -48.153 bonds (distance) P-C4' energy: -58.878 flat angles C4'-P-C4' energy: -69.701 flat angles P-C4'-P energy: -35.249 tors. eta vs tors. theta energy: -80.794 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: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -973.346953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.346953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.346953 (E_RNA) where: Base-Base interactions energy: -671.017 where: short stacking energy: -301.735 Base-Backbone interact. energy: 0.822 local terms energy: -303.152374 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -70.089 flat angles P-C4'-P energy: -39.054 tors. eta vs tors. theta energy: -80.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -769.109637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.109637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.109637 (E_RNA) where: Base-Base interactions energy: -498.520 where: short stacking energy: -234.812 Base-Backbone interact. energy: -0.888 local terms energy: -269.701998 where: bonds (distance) C4'-P energy: -54.255 bonds (distance) P-C4' energy: -59.574 flat angles C4'-P-C4' energy: -50.147 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -62.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -665.195841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.195841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.195841 (E_RNA) where: Base-Base interactions energy: -398.310 where: short stacking energy: -188.181 Base-Backbone interact. energy: -0.590 local terms energy: -266.295090 where: bonds (distance) C4'-P energy: -54.965 bonds (distance) P-C4' energy: -65.897 flat angles C4'-P-C4' energy: -61.022 flat angles P-C4'-P energy: -36.772 tors. eta vs tors. theta energy: -47.639 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: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -510.864640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.864640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.864640 (E_RNA) where: Base-Base interactions energy: -302.901 where: short stacking energy: -171.262 Base-Backbone interact. energy: -0.009 local terms energy: -207.955097 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -57.139 flat angles C4'-P-C4' energy: -40.645 flat angles P-C4'-P energy: -27.348 tors. eta vs tors. theta energy: -31.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -293.756517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.756517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.756517 (E_RNA) where: Base-Base interactions energy: -116.345 where: short stacking energy: -82.257 Base-Backbone interact. energy: -0.988 local terms energy: -176.423426 where: bonds (distance) C4'-P energy: -57.088 bonds (distance) P-C4' energy: -50.908 flat angles C4'-P-C4' energy: -43.945 flat angles P-C4'-P energy: -33.182 tors. eta vs tors. theta energy: 8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -277.331344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.331344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.331344 (E_RNA) where: Base-Base interactions energy: -82.009 where: short stacking energy: -59.097 Base-Backbone interact. energy: -0.750 local terms energy: -194.572789 where: bonds (distance) C4'-P energy: -70.546 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -35.054 flat angles P-C4'-P energy: -24.232 tors. eta vs tors. theta energy: -0.657 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: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1068.850426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.850426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.850426 (E_RNA) where: Base-Base interactions energy: -718.087 where: short stacking energy: -324.492 Base-Backbone interact. energy: -2.747 local terms energy: -348.016644 where: bonds (distance) C4'-P energy: -68.981 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -78.157 flat angles P-C4'-P energy: -40.538 tors. eta vs tors. theta energy: -97.593 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: 66 Temperature: 0.950000 Total energy: -1039.628047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.628047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.628047 (E_RNA) where: Base-Base interactions energy: -707.131 where: short stacking energy: -321.617 Base-Backbone interact. energy: -1.039 local terms energy: -331.457405 where: bonds (distance) C4'-P energy: -63.687 bonds (distance) P-C4' energy: -63.005 flat angles C4'-P-C4' energy: -71.070 flat angles P-C4'-P energy: -40.934 tors. eta vs tors. theta energy: -92.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -961.432673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.432673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.432673 (E_RNA) where: Base-Base interactions energy: -643.864 where: short stacking energy: -264.090 Base-Backbone interact. energy: -0.612 local terms energy: -316.956848 where: bonds (distance) C4'-P energy: -56.414 bonds (distance) P-C4' energy: -64.549 flat angles C4'-P-C4' energy: -64.519 flat angles P-C4'-P energy: -48.905 tors. eta vs tors. theta energy: -82.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -942.043781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.043781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.043781 (E_RNA) where: Base-Base interactions energy: -639.281 where: short stacking energy: -269.910 Base-Backbone interact. energy: 1.267 local terms energy: -304.029288 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -63.795 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -75.795 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: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -915.636424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.636424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.636424 (E_RNA) where: Base-Base interactions energy: -624.699 where: short stacking energy: -268.998 Base-Backbone interact. energy: -0.492 local terms energy: -290.445533 where: bonds (distance) C4'-P energy: -54.899 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -58.681 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -70.086 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: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -738.757335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.757335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.757335 (E_RNA) where: Base-Base interactions energy: -455.453 where: short stacking energy: -203.245 Base-Backbone interact. energy: -0.894 local terms energy: -282.410505 where: bonds (distance) C4'-P energy: -61.200 bonds (distance) P-C4' energy: -62.243 flat angles C4'-P-C4' energy: -65.342 flat angles P-C4'-P energy: -49.282 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: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -658.314355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.314355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.314355 (E_RNA) where: Base-Base interactions energy: -414.838 where: short stacking energy: -185.175 Base-Backbone interact. energy: -1.285 local terms energy: -242.191589 where: bonds (distance) C4'-P energy: -60.110 bonds (distance) P-C4' energy: -52.049 flat angles C4'-P-C4' energy: -54.047 flat angles P-C4'-P energy: -33.855 tors. eta vs tors. theta energy: -42.131 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: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -545.340732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.340732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.340732 (E_RNA) where: Base-Base interactions energy: -319.270 where: short stacking energy: -177.213 Base-Backbone interact. energy: -1.011 local terms energy: -225.060161 where: bonds (distance) C4'-P energy: -71.174 bonds (distance) P-C4' energy: -45.811 flat angles C4'-P-C4' energy: -47.001 flat angles P-C4'-P energy: -39.349 tors. eta vs tors. theta energy: -21.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -275.354845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.354845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.354845 (E_RNA) where: Base-Base interactions energy: -95.860 where: short stacking energy: -83.775 Base-Backbone interact. energy: -0.040 local terms energy: -179.454709 where: bonds (distance) C4'-P energy: -52.582 bonds (distance) P-C4' energy: -64.398 flat angles C4'-P-C4' energy: -35.897 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: 10.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -287.368644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.368644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.368644 (E_RNA) where: Base-Base interactions energy: -143.954 where: short stacking energy: -99.613 Base-Backbone interact. energy: 4.942 local terms energy: -148.355886 where: bonds (distance) C4'-P energy: -40.011 bonds (distance) P-C4' energy: -52.603 flat angles C4'-P-C4' energy: -41.657 flat angles P-C4'-P energy: -23.619 tors. eta vs tors. theta energy: 9.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1049.742411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.742411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.742411 (E_RNA) where: Base-Base interactions energy: -709.338 where: short stacking energy: -300.521 Base-Backbone interact. energy: -1.434 local terms energy: -338.970318 where: bonds (distance) C4'-P energy: -64.903 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -72.272 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -89.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1045.633611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.633611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.633611 (E_RNA) where: Base-Base interactions energy: -717.999 where: short stacking energy: -311.836 Base-Backbone interact. energy: -1.298 local terms energy: -326.335976 where: bonds (distance) C4'-P energy: -59.669 bonds (distance) P-C4' energy: -53.025 flat angles C4'-P-C4' energy: -72.741 flat angles P-C4'-P energy: -51.074 tors. eta vs tors. theta energy: -89.827 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: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -942.060076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.060076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.060076 (E_RNA) where: Base-Base interactions energy: -640.695 where: short stacking energy: -288.234 Base-Backbone interact. energy: -2.582 local terms energy: -298.782243 where: bonds (distance) C4'-P energy: -48.429 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -34.549 tors. eta vs tors. theta energy: -89.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -954.274287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.274287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.274287 (E_RNA) where: Base-Base interactions energy: -655.434 where: short stacking energy: -289.052 Base-Backbone interact. energy: -2.405 local terms energy: -296.436017 where: bonds (distance) C4'-P energy: -47.187 bonds (distance) P-C4' energy: -46.144 flat angles C4'-P-C4' energy: -69.651 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -87.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -889.306886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.306886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.306886 (E_RNA) where: Base-Base interactions energy: -604.372 where: short stacking energy: -252.453 Base-Backbone interact. energy: -0.873 local terms energy: -284.061711 where: bonds (distance) C4'-P energy: -49.255 bonds (distance) P-C4' energy: -67.688 flat angles C4'-P-C4' energy: -66.283 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -58.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -702.693490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.693490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.693490 (E_RNA) where: Base-Base interactions energy: -436.466 where: short stacking energy: -210.500 Base-Backbone interact. energy: -1.345 local terms energy: -264.882777 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -57.375 flat angles C4'-P-C4' energy: -53.426 flat angles P-C4'-P energy: -35.310 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: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -681.589275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.589275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.589275 (E_RNA) where: Base-Base interactions energy: -418.865 where: short stacking energy: -199.823 Base-Backbone interact. energy: -0.908 local terms energy: -261.816040 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -63.783 flat angles C4'-P-C4' energy: -54.580 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: -47.425 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: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -530.458970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.458970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.458970 (E_RNA) where: Base-Base interactions energy: -312.356 where: short stacking energy: -168.517 Base-Backbone interact. energy: -0.259 local terms energy: -217.844480 where: bonds (distance) C4'-P energy: -47.345 bonds (distance) P-C4' energy: -51.716 flat angles C4'-P-C4' energy: -55.122 flat angles P-C4'-P energy: -37.570 tors. eta vs tors. theta energy: -26.091 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: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -290.986905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.986905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.986905 (E_RNA) where: Base-Base interactions energy: -109.154 where: short stacking energy: -94.754 Base-Backbone interact. energy: 2.444 local terms energy: -184.277513 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -58.199 flat angles C4'-P-C4' energy: -48.183 flat angles P-C4'-P energy: -32.660 tors. eta vs tors. theta energy: 6.221 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: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -268.377400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.377400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.377400 (E_RNA) where: Base-Base interactions energy: -97.243 where: short stacking energy: -84.849 Base-Backbone interact. energy: 1.324 local terms energy: -172.458315 where: bonds (distance) C4'-P energy: -40.140 bonds (distance) P-C4' energy: -61.311 flat angles C4'-P-C4' energy: -46.632 flat angles P-C4'-P energy: -28.359 tors. eta vs tors. theta energy: 3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1040.862559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.862559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.862559 (E_RNA) where: Base-Base interactions energy: -696.478 where: short stacking energy: -302.501 Base-Backbone interact. energy: -0.988 local terms energy: -343.397331 where: bonds (distance) C4'-P energy: -59.515 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: -87.029 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: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1037.371195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.371195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.371195 (E_RNA) where: Base-Base interactions energy: -693.712 where: short stacking energy: -296.095 Base-Backbone interact. energy: -2.144 local terms energy: -341.514801 where: bonds (distance) C4'-P energy: -62.220 bonds (distance) P-C4' energy: -73.619 flat angles C4'-P-C4' energy: -74.122 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -88.739 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: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -982.395616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.395616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.395616 (E_RNA) where: Base-Base interactions energy: -638.340 where: short stacking energy: -292.145 Base-Backbone interact. energy: -1.903 local terms energy: -342.152608 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -58.170 flat angles C4'-P-C4' energy: -75.149 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -86.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -909.146825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.146825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.146825 (E_RNA) where: Base-Base interactions energy: -604.965 where: short stacking energy: -261.199 Base-Backbone interact. energy: 0.683 local terms energy: -304.864718 where: bonds (distance) C4'-P energy: -50.320 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -70.657 flat angles P-C4'-P energy: -44.194 tors. eta vs tors. theta energy: -76.385 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: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -853.893156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.893156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.893156 (E_RNA) where: Base-Base interactions energy: -557.183 where: short stacking energy: -247.748 Base-Backbone interact. energy: -0.862 local terms energy: -295.848223 where: bonds (distance) C4'-P energy: -58.051 bonds (distance) P-C4' energy: -59.847 flat angles C4'-P-C4' energy: -56.312 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -84.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -742.202693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.202693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.202693 (E_RNA) where: Base-Base interactions energy: -479.613 where: short stacking energy: -218.244 Base-Backbone interact. energy: -1.294 local terms energy: -261.295335 where: bonds (distance) C4'-P energy: -46.209 bonds (distance) P-C4' energy: -66.215 flat angles C4'-P-C4' energy: -53.047 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -57.529 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: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -688.648132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.648132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.648132 (E_RNA) where: Base-Base interactions energy: -421.321 where: short stacking energy: -209.439 Base-Backbone interact. energy: -0.246 local terms energy: -267.081181 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -60.406 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -47.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -523.092401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.092401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.092401 (E_RNA) where: Base-Base interactions energy: -292.027 where: short stacking energy: -147.337 Base-Backbone interact. energy: 1.145 local terms energy: -232.209780 where: bonds (distance) C4'-P energy: -56.488 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -52.229 flat angles P-C4'-P energy: -37.551 tors. eta vs tors. theta energy: -26.296 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: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -284.271684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.271684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.271684 (E_RNA) where: Base-Base interactions energy: -92.846 where: short stacking energy: -84.184 Base-Backbone interact. energy: -0.161 local terms energy: -191.265295 where: bonds (distance) C4'-P energy: -56.684 bonds (distance) P-C4' energy: -55.350 flat angles C4'-P-C4' energy: -52.354 flat angles P-C4'-P energy: -27.841 tors. eta vs tors. theta energy: 0.963 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -268.958503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.958503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.958503 (E_RNA) where: Base-Base interactions energy: -73.872 where: short stacking energy: -66.346 Base-Backbone interact. energy: -1.189 local terms energy: -193.897691 where: bonds (distance) C4'-P energy: -53.167 bonds (distance) P-C4' energy: -66.258 flat angles C4'-P-C4' energy: -51.526 flat angles P-C4'-P energy: -36.886 tors. eta vs tors. theta energy: 13.939 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: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1055.589657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.589657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.589657 (E_RNA) where: Base-Base interactions energy: -711.534 where: short stacking energy: -316.858 Base-Backbone interact. energy: -1.602 local terms energy: -342.453860 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -64.215 flat angles C4'-P-C4' energy: -69.941 flat angles P-C4'-P energy: -45.142 tors. eta vs tors. theta energy: -91.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1050.609876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.609876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.609876 (E_RNA) where: Base-Base interactions energy: -706.249 where: short stacking energy: -319.707 Base-Backbone interact. energy: 0.648 local terms energy: -345.008920 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -77.496 flat angles P-C4'-P energy: -46.057 tors. eta vs tors. theta energy: -99.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -977.165995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.165995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.165995 (E_RNA) where: Base-Base interactions energy: -643.399 where: short stacking energy: -300.776 Base-Backbone interact. energy: -0.447 local terms energy: -333.320148 where: bonds (distance) C4'-P energy: -67.852 bonds (distance) P-C4' energy: -64.659 flat angles C4'-P-C4' energy: -65.456 flat angles P-C4'-P energy: -46.740 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: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -844.984364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.984364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.984364 (E_RNA) where: Base-Base interactions energy: -564.512 where: short stacking energy: -244.028 Base-Backbone interact. energy: -1.652 local terms energy: -278.820350 where: bonds (distance) C4'-P energy: -63.116 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -61.692 flat angles P-C4'-P energy: -30.558 tors. eta vs tors. theta energy: -64.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -891.697825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.697825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.697825 (E_RNA) where: Base-Base interactions energy: -576.775 where: short stacking energy: -258.792 Base-Backbone interact. energy: 3.759 local terms energy: -318.682103 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -67.953 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -76.772 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: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -745.168638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.168638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.168638 (E_RNA) where: Base-Base interactions energy: -463.595 where: short stacking energy: -214.691 Base-Backbone interact. energy: -0.991 local terms energy: -280.581932 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -61.419 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -59.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -653.710326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.710326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.710326 (E_RNA) where: Base-Base interactions energy: -415.163 where: short stacking energy: -192.375 Base-Backbone interact. energy: -1.341 local terms energy: -237.206713 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -58.027 flat angles C4'-P-C4' energy: -45.783 flat angles P-C4'-P energy: -34.638 tors. eta vs tors. theta energy: -35.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -509.938306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.938306 (E_RNA) where: Base-Base interactions energy: -287.346 where: short stacking energy: -154.939 Base-Backbone interact. energy: 1.433 local terms energy: -224.025529 where: bonds (distance) C4'-P energy: -50.006 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -57.498 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -16.704 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: 69 Temperature: 1.300000 Total energy: -338.015702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.015702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.015702 (E_RNA) where: Base-Base interactions energy: -152.672 where: short stacking energy: -107.120 Base-Backbone interact. energy: 1.842 local terms energy: -187.185821 where: bonds (distance) C4'-P energy: -55.881 bonds (distance) P-C4' energy: -59.193 flat angles C4'-P-C4' energy: -41.031 flat angles P-C4'-P energy: -33.873 tors. eta vs tors. theta energy: 2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -275.648832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.648832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.648832 (E_RNA) where: Base-Base interactions energy: -103.872 where: short stacking energy: -88.013 Base-Backbone interact. energy: -0.462 local terms energy: -171.315466 where: bonds (distance) C4'-P energy: -41.373 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -53.379 flat angles P-C4'-P energy: -33.805 tors. eta vs tors. theta energy: 9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1065.286202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.286202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.286202 (E_RNA) where: Base-Base interactions energy: -718.020 where: short stacking energy: -313.008 Base-Backbone interact. energy: -2.048 local terms energy: -345.218073 where: bonds (distance) C4'-P energy: -64.801 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -53.010 tors. eta vs tors. theta energy: -90.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1023.253316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.253316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.253316 (E_RNA) where: Base-Base interactions energy: -688.036 where: short stacking energy: -315.515 Base-Backbone interact. energy: -0.641 local terms energy: -334.575536 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -59.685 flat angles C4'-P-C4' energy: -74.478 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -91.292 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: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -989.182316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.182316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.182316 (E_RNA) where: Base-Base interactions energy: -667.319 where: short stacking energy: -285.546 Base-Backbone interact. energy: -0.253 local terms energy: -321.610415 where: bonds (distance) C4'-P energy: -60.229 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -91.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -871.817641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.817641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.817641 (E_RNA) where: Base-Base interactions energy: -565.660 where: short stacking energy: -243.051 Base-Backbone interact. energy: -0.569 local terms energy: -305.588234 where: bonds (distance) C4'-P energy: -63.535 bonds (distance) P-C4' energy: -70.266 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -66.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -866.816985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.816985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.816985 (E_RNA) where: Base-Base interactions energy: -576.481 where: short stacking energy: -261.846 Base-Backbone interact. energy: 1.875 local terms energy: -292.211367 where: bonds (distance) C4'-P energy: -61.092 bonds (distance) P-C4' energy: -53.927 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -34.045 tors. eta vs tors. theta energy: -73.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -740.574211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.574211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.574211 (E_RNA) where: Base-Base interactions energy: -469.587 where: short stacking energy: -207.042 Base-Backbone interact. energy: -0.495 local terms energy: -270.491704 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -63.279 flat angles C4'-P-C4' energy: -58.951 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -49.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -540.195707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.195707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.195707 (E_RNA) where: Base-Base interactions energy: -305.010 where: short stacking energy: -158.416 Base-Backbone interact. energy: -1.939 local terms energy: -233.247048 where: bonds (distance) C4'-P energy: -56.342 bonds (distance) P-C4' energy: -50.799 flat angles C4'-P-C4' energy: -62.417 flat angles P-C4'-P energy: -36.102 tors. eta vs tors. theta energy: -27.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -578.862356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.862356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.862356 (E_RNA) where: Base-Base interactions energy: -364.016 where: short stacking energy: -181.136 Base-Backbone interact. energy: 0.698 local terms energy: -215.544841 where: bonds (distance) C4'-P energy: -51.848 bonds (distance) P-C4' energy: -44.224 flat angles C4'-P-C4' energy: -54.993 flat angles P-C4'-P energy: -30.625 tors. eta vs tors. theta energy: -33.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -290.729857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.729857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.729857 (E_RNA) where: Base-Base interactions energy: -108.094 where: short stacking energy: -92.825 Base-Backbone interact. energy: -0.606 local terms energy: -182.029864 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -46.363 flat angles C4'-P-C4' energy: -46.285 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: 3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -286.669025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.669025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.669025 (E_RNA) where: Base-Base interactions energy: -95.955 where: short stacking energy: -84.074 Base-Backbone interact. energy: -1.066 local terms energy: -189.647866 where: bonds (distance) C4'-P energy: -64.741 bonds (distance) P-C4' energy: -58.647 flat angles C4'-P-C4' energy: -51.780 flat angles P-C4'-P energy: -23.763 tors. eta vs tors. theta energy: 9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1050.571787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.571787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.571787 (E_RNA) where: Base-Base interactions energy: -705.236 where: short stacking energy: -305.001 Base-Backbone interact. energy: -1.550 local terms energy: -343.785365 where: bonds (distance) C4'-P energy: -62.468 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -94.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1010.283977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.283977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.283977 (E_RNA) where: Base-Base interactions energy: -681.415 where: short stacking energy: -298.593 Base-Backbone interact. energy: -0.722 local terms energy: -328.147702 where: bonds (distance) C4'-P energy: -69.346 bonds (distance) P-C4' energy: -58.071 flat angles C4'-P-C4' energy: -69.934 flat angles P-C4'-P energy: -49.082 tors. eta vs tors. theta energy: -81.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1000.516963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.516963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.516963 (E_RNA) where: Base-Base interactions energy: -672.200 where: short stacking energy: -306.252 Base-Backbone interact. energy: -2.063 local terms energy: -326.253893 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -69.539 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -39.350 tors. eta vs tors. theta energy: -80.753 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: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -928.197055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.197055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.197055 (E_RNA) where: Base-Base interactions energy: -612.777 where: short stacking energy: -278.365 Base-Backbone interact. energy: -1.380 local terms energy: -314.039944 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -52.352 flat angles C4'-P-C4' energy: -69.485 flat angles P-C4'-P energy: -45.244 tors. eta vs tors. theta energy: -87.262 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: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -897.841234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.841234 (E_RNA) where: Base-Base interactions energy: -599.000 where: short stacking energy: -252.591 Base-Backbone interact. energy: -1.135 local terms energy: -297.705949 where: bonds (distance) C4'-P energy: -61.607 bonds (distance) P-C4' energy: -62.439 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -41.972 tors. eta vs tors. theta energy: -72.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -738.692908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.692908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.692908 (E_RNA) where: Base-Base interactions energy: -466.615 where: short stacking energy: -223.115 Base-Backbone interact. energy: -3.389 local terms energy: -268.689093 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -72.611 flat angles P-C4'-P energy: -33.335 tors. eta vs tors. theta energy: -59.242 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: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -610.083177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.083177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.083177 (E_RNA) where: Base-Base interactions energy: -383.632 where: short stacking energy: -176.867 Base-Backbone interact. energy: -1.598 local terms energy: -224.853872 where: bonds (distance) C4'-P energy: -51.837 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -34.791 tors. eta vs tors. theta energy: -28.561 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: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -503.812874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.812874 (E_RNA) where: Base-Base interactions energy: -296.756 where: short stacking energy: -146.866 Base-Backbone interact. energy: -1.617 local terms energy: -205.440054 where: bonds (distance) C4'-P energy: -34.379 bonds (distance) P-C4' energy: -56.692 flat angles C4'-P-C4' energy: -50.863 flat angles P-C4'-P energy: -28.441 tors. eta vs tors. theta energy: -35.065 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -340.279296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.279296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.279296 (E_RNA) where: Base-Base interactions energy: -139.043 where: short stacking energy: -95.403 Base-Backbone interact. energy: -1.369 local terms energy: -199.867633 where: bonds (distance) C4'-P energy: -47.784 bonds (distance) P-C4' energy: -53.219 flat angles C4'-P-C4' energy: -53.002 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -3.833 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: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -262.119045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.119045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.119045 (E_RNA) where: Base-Base interactions energy: -84.131 where: short stacking energy: -67.913 Base-Backbone interact. energy: -1.413 local terms energy: -176.575413 where: bonds (distance) C4'-P energy: -36.641 bonds (distance) P-C4' energy: -64.096 flat angles C4'-P-C4' energy: -58.589 flat angles P-C4'-P energy: -27.100 tors. eta vs tors. theta energy: 9.851 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: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1054.276112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.276112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.276112 (E_RNA) where: Base-Base interactions energy: -719.353 where: short stacking energy: -307.267 Base-Backbone interact. energy: 0.231 local terms energy: -335.153889 where: bonds (distance) C4'-P energy: -59.942 bonds (distance) P-C4' energy: -63.706 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -87.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1045.335518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.335518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.335518 (E_RNA) where: Base-Base interactions energy: -702.044 where: short stacking energy: -314.421 Base-Backbone interact. energy: -1.642 local terms energy: -341.649531 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -61.677 flat angles C4'-P-C4' energy: -76.764 flat angles P-C4'-P energy: -45.030 tors. eta vs tors. theta energy: -94.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -970.259173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.259173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.259173 (E_RNA) where: Base-Base interactions energy: -659.531 where: short stacking energy: -287.361 Base-Backbone interact. energy: -2.148 local terms energy: -308.580571 where: bonds (distance) C4'-P energy: -52.058 bonds (distance) P-C4' energy: -63.292 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -81.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -912.496022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.496022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.496022 (E_RNA) where: Base-Base interactions energy: -618.745 where: short stacking energy: -257.230 Base-Backbone interact. energy: 0.441 local terms energy: -294.192483 where: bonds (distance) C4'-P energy: -57.305 bonds (distance) P-C4' energy: -62.851 flat angles C4'-P-C4' energy: -65.895 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -69.855 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: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -847.919249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.919249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.919249 (E_RNA) where: Base-Base interactions energy: -554.191 where: short stacking energy: -221.305 Base-Backbone interact. energy: -1.959 local terms energy: -291.769578 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -65.749 flat angles C4'-P-C4' energy: -60.177 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -66.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -651.757028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.757028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.757028 (E_RNA) where: Base-Base interactions energy: -387.453 where: short stacking energy: -186.047 Base-Backbone interact. energy: -1.170 local terms energy: -263.133660 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -70.262 flat angles C4'-P-C4' energy: -53.492 flat angles P-C4'-P energy: -34.723 tors. eta vs tors. theta energy: -44.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -641.628994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.628994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.628994 (E_RNA) where: Base-Base interactions energy: -400.866 where: short stacking energy: -182.086 Base-Backbone interact. energy: 3.129 local terms energy: -243.892898 where: bonds (distance) C4'-P energy: -51.153 bonds (distance) P-C4' energy: -51.146 flat angles C4'-P-C4' energy: -61.698 flat angles P-C4'-P energy: -29.952 tors. eta vs tors. theta energy: -49.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -504.491342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.491342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.491342 (E_RNA) where: Base-Base interactions energy: -266.689 where: short stacking energy: -152.285 Base-Backbone interact. energy: -0.486 local terms energy: -237.315910 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -53.254 flat angles C4'-P-C4' energy: -49.542 flat angles P-C4'-P energy: -39.256 tors. eta vs tors. theta energy: -31.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -369.441544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.441544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.441544 (E_RNA) where: Base-Base interactions energy: -167.142 where: short stacking energy: -107.409 Base-Backbone interact. energy: -0.082 local terms energy: -202.217405 where: bonds (distance) C4'-P energy: -51.874 bonds (distance) P-C4' energy: -60.100 flat angles C4'-P-C4' energy: -50.792 flat angles P-C4'-P energy: -35.650 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -262.737815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.737815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.737815 (E_RNA) where: Base-Base interactions energy: -80.535 where: short stacking energy: -62.914 Base-Backbone interact. energy: -2.106 local terms energy: -180.097228 where: bonds (distance) C4'-P energy: -50.900 bonds (distance) P-C4' energy: -59.575 flat angles C4'-P-C4' energy: -49.927 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: 16.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1057.039964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.039964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.039964 (E_RNA) where: Base-Base interactions energy: -717.298 where: short stacking energy: -302.775 Base-Backbone interact. energy: -1.178 local terms energy: -338.563492 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -67.988 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -40.392 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: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1051.956124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.956124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.956124 (E_RNA) where: Base-Base interactions energy: -700.488 where: short stacking energy: -306.478 Base-Backbone interact. energy: -0.068 local terms energy: -351.400269 where: bonds (distance) C4'-P energy: -65.731 bonds (distance) P-C4' energy: -66.415 flat angles C4'-P-C4' energy: -74.300 flat angles P-C4'-P energy: -48.742 tors. eta vs tors. theta energy: -96.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -965.882112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.882112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.882112 (E_RNA) where: Base-Base interactions energy: -655.524 where: short stacking energy: -280.897 Base-Backbone interact. energy: -2.354 local terms energy: -308.003921 where: bonds (distance) C4'-P energy: -57.148 bonds (distance) P-C4' energy: -63.122 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -72.473 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: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -897.508098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.508098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.508098 (E_RNA) where: Base-Base interactions energy: -601.426 where: short stacking energy: -246.118 Base-Backbone interact. energy: 4.451 local terms energy: -300.533147 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: -69.005 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: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -900.170750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.170750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.170750 (E_RNA) where: Base-Base interactions energy: -599.302 where: short stacking energy: -246.530 Base-Backbone interact. energy: 3.607 local terms energy: -304.475257 where: bonds (distance) C4'-P energy: -67.381 bonds (distance) P-C4' energy: -58.768 flat angles C4'-P-C4' energy: -64.300 flat angles P-C4'-P energy: -47.417 tors. eta vs tors. theta energy: -66.609 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: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -685.214403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.214403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.214403 (E_RNA) where: Base-Base interactions energy: -441.395 where: short stacking energy: -217.443 Base-Backbone interact. energy: -1.061 local terms energy: -242.758717 where: bonds (distance) C4'-P energy: -55.950 bonds (distance) P-C4' energy: -53.447 flat angles C4'-P-C4' energy: -50.751 flat angles P-C4'-P energy: -38.563 tors. eta vs tors. theta energy: -44.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -641.727975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.727975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.727975 (E_RNA) where: Base-Base interactions energy: -406.706 where: short stacking energy: -205.782 Base-Backbone interact. energy: 2.075 local terms energy: -237.096349 where: bonds (distance) C4'-P energy: -43.410 bonds (distance) P-C4' energy: -48.842 flat angles C4'-P-C4' energy: -60.796 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -46.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -542.225621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.225621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.225621 (E_RNA) where: Base-Base interactions energy: -329.449 where: short stacking energy: -149.891 Base-Backbone interact. energy: -0.882 local terms energy: -211.894409 where: bonds (distance) C4'-P energy: -50.750 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -49.096 flat angles P-C4'-P energy: -21.212 tors. eta vs tors. theta energy: -36.894 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: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -403.556751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.556751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.556751 (E_RNA) where: Base-Base interactions energy: -193.442 where: short stacking energy: -129.369 Base-Backbone interact. energy: 4.345 local terms energy: -214.459353 where: bonds (distance) C4'-P energy: -54.966 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -52.556 flat angles P-C4'-P energy: -32.636 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -281.025188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.025188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.025188 (E_RNA) where: Base-Base interactions energy: -121.048 where: short stacking energy: -84.778 Base-Backbone interact. energy: -0.636 local terms energy: -159.340956 where: bonds (distance) C4'-P energy: -49.645 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -50.794 flat angles P-C4'-P energy: -19.821 tors. eta vs tors. theta energy: 19.947 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: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1045.995493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.995493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.995493 (E_RNA) where: Base-Base interactions energy: -708.274 where: short stacking energy: -309.620 Base-Backbone interact. energy: -1.973 local terms energy: -335.748723 where: bonds (distance) C4'-P energy: -62.232 bonds (distance) P-C4' energy: -73.116 flat angles C4'-P-C4' energy: -70.088 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -89.140 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: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1049.030164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.030164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.030164 (E_RNA) where: Base-Base interactions energy: -697.686 where: short stacking energy: -309.763 Base-Backbone interact. energy: -2.608 local terms energy: -348.735546 where: bonds (distance) C4'-P energy: -62.317 bonds (distance) P-C4' energy: -71.898 flat angles C4'-P-C4' energy: -72.232 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -95.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -978.153062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.153062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.153062 (E_RNA) where: Base-Base interactions energy: -677.693 where: short stacking energy: -302.909 Base-Backbone interact. energy: 2.285 local terms energy: -302.745855 where: bonds (distance) C4'-P energy: -55.877 bonds (distance) P-C4' energy: -63.930 flat angles C4'-P-C4' energy: -67.341 flat angles P-C4'-P energy: -35.407 tors. eta vs tors. theta energy: -80.191 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: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -934.294701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.294701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.294701 (E_RNA) where: Base-Base interactions energy: -623.001 where: short stacking energy: -256.912 Base-Backbone interact. energy: -0.741 local terms energy: -310.552690 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: -73.695 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -820.070946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.070946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.070946 (E_RNA) where: Base-Base interactions energy: -540.958 where: short stacking energy: -243.339 Base-Backbone interact. energy: -1.524 local terms energy: -277.588754 where: bonds (distance) C4'-P energy: -43.669 bonds (distance) P-C4' energy: -62.232 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -38.010 tors. eta vs tors. theta energy: -67.405 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: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -729.083280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.083280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.083280 (E_RNA) where: Base-Base interactions energy: -470.056 where: short stacking energy: -214.748 Base-Backbone interact. energy: 1.778 local terms energy: -260.805517 where: bonds (distance) C4'-P energy: -53.217 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -57.643 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: -50.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -618.538819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.538819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.538819 (E_RNA) where: Base-Base interactions energy: -349.362 where: short stacking energy: -187.410 Base-Backbone interact. energy: 3.526 local terms energy: -272.702242 where: bonds (distance) C4'-P energy: -59.102 bonds (distance) P-C4' energy: -58.581 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -44.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -547.107820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.107820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.107820 (E_RNA) where: Base-Base interactions energy: -328.464 where: short stacking energy: -160.210 Base-Backbone interact. energy: -1.679 local terms energy: -216.964305 where: bonds (distance) C4'-P energy: -40.116 bonds (distance) P-C4' energy: -50.636 flat angles C4'-P-C4' energy: -58.390 flat angles P-C4'-P energy: -28.004 tors. eta vs tors. theta energy: -39.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -374.291021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.291021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.291021 (E_RNA) where: Base-Base interactions energy: -175.826 where: short stacking energy: -122.787 Base-Backbone interact. energy: -2.184 local terms energy: -196.281170 where: bonds (distance) C4'-P energy: -50.411 bonds (distance) P-C4' energy: -53.929 flat angles C4'-P-C4' energy: -58.014 flat angles P-C4'-P energy: -23.728 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: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -272.462332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.462332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.462332 (E_RNA) where: Base-Base interactions energy: -100.645 where: short stacking energy: -67.262 Base-Backbone interact. energy: -0.306 local terms energy: -171.510473 where: bonds (distance) C4'-P energy: -46.311 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -45.360 flat angles P-C4'-P energy: -22.685 tors. eta vs tors. theta energy: -0.481 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: 1, replica: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1060.574753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.574753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.574753 (E_RNA) where: Base-Base interactions energy: -706.875 where: short stacking energy: -332.112 Base-Backbone interact. energy: -0.142 local terms energy: -353.557277 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -73.695 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -95.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1032.142009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.142009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.142009 (E_RNA) where: Base-Base interactions energy: -699.946 where: short stacking energy: -307.004 Base-Backbone interact. energy: -0.599 local terms energy: -331.597845 where: bonds (distance) C4'-P energy: -66.542 bonds (distance) P-C4' energy: -58.318 flat angles C4'-P-C4' energy: -68.757 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -91.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -996.340690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.340690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.340690 (E_RNA) where: Base-Base interactions energy: -681.197 where: short stacking energy: -302.682 Base-Backbone interact. energy: 0.213 local terms energy: -315.357016 where: bonds (distance) C4'-P energy: -49.975 bonds (distance) P-C4' energy: -69.329 flat angles C4'-P-C4' energy: -61.826 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -86.824 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: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -933.657485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.657485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.657485 (E_RNA) where: Base-Base interactions energy: -623.578 where: short stacking energy: -286.615 Base-Backbone interact. energy: -1.850 local terms energy: -308.229310 where: bonds (distance) C4'-P energy: -55.717 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -66.320 flat angles P-C4'-P energy: -42.325 tors. eta vs tors. theta energy: -84.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -854.207925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.207925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.207925 (E_RNA) where: Base-Base interactions energy: -563.568 where: short stacking energy: -258.148 Base-Backbone interact. energy: -2.322 local terms energy: -288.318184 where: bonds (distance) C4'-P energy: -55.512 bonds (distance) P-C4' energy: -53.877 flat angles C4'-P-C4' energy: -59.726 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -79.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -728.768412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.768412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.768412 (E_RNA) where: Base-Base interactions energy: -469.837 where: short stacking energy: -214.507 Base-Backbone interact. energy: -0.119 local terms energy: -258.811820 where: bonds (distance) C4'-P energy: -58.079 bonds (distance) P-C4' energy: -52.464 flat angles C4'-P-C4' energy: -55.486 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -49.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -590.179814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.179814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.179814 (E_RNA) where: Base-Base interactions energy: -345.836 where: short stacking energy: -174.132 Base-Backbone interact. energy: -1.978 local terms energy: -242.366068 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -54.015 flat angles P-C4'-P energy: -25.731 tors. eta vs tors. theta energy: -30.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -514.441562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.441562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.441562 (E_RNA) where: Base-Base interactions energy: -289.833 where: short stacking energy: -135.107 Base-Backbone interact. energy: -0.762 local terms energy: -223.846011 where: bonds (distance) C4'-P energy: -56.164 bonds (distance) P-C4' energy: -64.014 flat angles C4'-P-C4' energy: -53.898 flat angles P-C4'-P energy: -30.548 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -355.723779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.723779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.723779 (E_RNA) where: Base-Base interactions energy: -151.140 where: short stacking energy: -101.868 Base-Backbone interact. energy: -0.797 local terms energy: -203.785992 where: bonds (distance) C4'-P energy: -45.184 bonds (distance) P-C4' energy: -51.838 flat angles C4'-P-C4' energy: -53.589 flat angles P-C4'-P energy: -39.289 tors. eta vs tors. theta energy: -13.887 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: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -264.891611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.891611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.891611 (E_RNA) where: Base-Base interactions energy: -99.647 where: short stacking energy: -94.061 Base-Backbone interact. energy: 0.085 local terms energy: -165.329536 where: bonds (distance) C4'-P energy: -48.307 bonds (distance) P-C4' energy: -36.190 flat angles C4'-P-C4' energy: -44.368 flat angles P-C4'-P energy: -26.366 tors. eta vs tors. theta energy: -10.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1052.146993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.146993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.146993 (E_RNA) where: Base-Base interactions energy: -720.426 where: short stacking energy: -306.304 Base-Backbone interact. energy: -1.372 local terms energy: -330.349361 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -66.423 flat angles C4'-P-C4' energy: -67.997 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -91.656 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: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1049.557873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.557873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.557873 (E_RNA) where: Base-Base interactions energy: -702.789 where: short stacking energy: -295.458 Base-Backbone interact. energy: 0.811 local terms energy: -347.580191 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -74.063 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: -89.085 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: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -982.641251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.641251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.641251 (E_RNA) where: Base-Base interactions energy: -658.771 where: short stacking energy: -299.839 Base-Backbone interact. energy: -0.685 local terms energy: -323.184769 where: bonds (distance) C4'-P energy: -71.530 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -65.381 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -81.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -896.360731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.360731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.360731 (E_RNA) where: Base-Base interactions energy: -601.732 where: short stacking energy: -249.475 Base-Backbone interact. energy: -2.173 local terms energy: -292.455976 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -63.286 flat angles C4'-P-C4' energy: -63.991 flat angles P-C4'-P energy: -37.248 tors. eta vs tors. theta energy: -68.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -858.215438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.215438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.215438 (E_RNA) where: Base-Base interactions energy: -585.181 where: short stacking energy: -262.156 Base-Backbone interact. energy: 0.805 local terms energy: -273.839515 where: bonds (distance) C4'-P energy: -58.954 bonds (distance) P-C4' energy: -57.690 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -27.058 tors. eta vs tors. theta energy: -67.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -741.851593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.851593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.851593 (E_RNA) where: Base-Base interactions energy: -482.010 where: short stacking energy: -223.647 Base-Backbone interact. energy: 1.027 local terms energy: -260.868275 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -48.467 flat angles C4'-P-C4' energy: -60.984 flat angles P-C4'-P energy: -43.513 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: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -580.992401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.992401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.992401 (E_RNA) where: Base-Base interactions energy: -363.757 where: short stacking energy: -164.769 Base-Backbone interact. energy: -1.400 local terms energy: -215.834973 where: bonds (distance) C4'-P energy: -53.922 bonds (distance) P-C4' energy: -52.327 flat angles C4'-P-C4' energy: -49.795 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -25.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -506.793602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.793602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.793602 (E_RNA) where: Base-Base interactions energy: -284.197 where: short stacking energy: -150.269 Base-Backbone interact. energy: 0.385 local terms energy: -222.981002 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -57.598 flat angles C4'-P-C4' energy: -38.707 flat angles P-C4'-P energy: -34.090 tors. eta vs tors. theta energy: -33.617 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: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -278.102043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.102043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.102043 (E_RNA) where: Base-Base interactions energy: -93.186 where: short stacking energy: -87.349 Base-Backbone interact. energy: 0.870 local terms energy: -185.786142 where: bonds (distance) C4'-P energy: -53.109 bonds (distance) P-C4' energy: -63.043 flat angles C4'-P-C4' energy: -39.877 flat angles P-C4'-P energy: -38.506 tors. eta vs tors. theta energy: 8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -289.207460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.207460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.207460 (E_RNA) where: Base-Base interactions energy: -118.937 where: short stacking energy: -83.082 Base-Backbone interact. energy: -1.045 local terms energy: -169.225238 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -61.296 flat angles C4'-P-C4' energy: -50.853 flat angles P-C4'-P energy: -19.399 tors. eta vs tors. theta energy: 18.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1067.984536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.984536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.984536 (E_RNA) where: Base-Base interactions energy: -713.705 where: short stacking energy: -328.794 Base-Backbone interact. energy: 0.060 local terms energy: -354.339754 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -96.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1040.423609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.423609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.423609 (E_RNA) where: Base-Base interactions energy: -708.249 where: short stacking energy: -299.724 Base-Backbone interact. energy: -0.149 local terms energy: -332.026264 where: bonds (distance) C4'-P energy: -64.376 bonds (distance) P-C4' energy: -65.826 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -48.903 tors. eta vs tors. theta energy: -84.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -969.945807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.945807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.945807 (E_RNA) where: Base-Base interactions energy: -631.955 where: short stacking energy: -288.540 Base-Backbone interact. energy: -0.697 local terms energy: -337.294567 where: bonds (distance) C4'-P energy: -66.982 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -72.908 flat angles P-C4'-P energy: -56.505 tors. eta vs tors. theta energy: -76.920 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: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -881.363861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.363861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.363861 (E_RNA) where: Base-Base interactions energy: -582.896 where: short stacking energy: -237.746 Base-Backbone interact. energy: -1.969 local terms energy: -296.498883 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -58.911 flat angles C4'-P-C4' energy: -55.569 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: -63.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -817.435694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.435694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.435694 (E_RNA) where: Base-Base interactions energy: -539.064 where: short stacking energy: -241.031 Base-Backbone interact. energy: -0.790 local terms energy: -277.581705 where: bonds (distance) C4'-P energy: -54.740 bonds (distance) P-C4' energy: -60.316 flat angles C4'-P-C4' energy: -57.283 flat angles P-C4'-P energy: -34.962 tors. eta vs tors. theta energy: -70.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -717.462369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.462369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.462369 (E_RNA) where: Base-Base interactions energy: -454.617 where: short stacking energy: -222.355 Base-Backbone interact. energy: 0.097 local terms energy: -262.942334 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -57.530 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -48.597 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: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -615.935623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.935623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.935623 (E_RNA) where: Base-Base interactions energy: -373.103 where: short stacking energy: -182.924 Base-Backbone interact. energy: -0.944 local terms energy: -241.887789 where: bonds (distance) C4'-P energy: -53.956 bonds (distance) P-C4' energy: -68.520 flat angles C4'-P-C4' energy: -48.495 flat angles P-C4'-P energy: -34.362 tors. eta vs tors. theta energy: -36.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -507.133840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.133840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.133840 (E_RNA) where: Base-Base interactions energy: -277.232 where: short stacking energy: -139.045 Base-Backbone interact. energy: 0.711 local terms energy: -230.613493 where: bonds (distance) C4'-P energy: -52.052 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -48.560 flat angles P-C4'-P energy: -40.315 tors. eta vs tors. theta energy: -27.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -318.875040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.875040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.875040 (E_RNA) where: Base-Base interactions energy: -125.977 where: short stacking energy: -81.442 Base-Backbone interact. energy: 2.449 local terms energy: -195.346927 where: bonds (distance) C4'-P energy: -47.538 bonds (distance) P-C4' energy: -53.419 flat angles C4'-P-C4' energy: -57.102 flat angles P-C4'-P energy: -37.078 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -275.199466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.199466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.199466 (E_RNA) where: Base-Base interactions energy: -96.246 where: short stacking energy: -77.250 Base-Backbone interact. energy: 0.975 local terms energy: -179.927873 where: bonds (distance) C4'-P energy: -54.090 bonds (distance) P-C4' energy: -65.388 flat angles C4'-P-C4' energy: -42.268 flat angles P-C4'-P energy: -26.158 tors. eta vs tors. theta energy: 7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1042.612933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.612933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.612933 (E_RNA) where: Base-Base interactions energy: -706.676 where: short stacking energy: -301.892 Base-Backbone interact. energy: -0.644 local terms energy: -335.292578 where: bonds (distance) C4'-P energy: -59.242 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -68.815 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -89.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1038.839246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.839246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.839246 (E_RNA) where: Base-Base interactions energy: -692.676 where: short stacking energy: -301.027 Base-Backbone interact. energy: -1.733 local terms energy: -344.430193 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -73.961 flat angles C4'-P-C4' energy: -73.624 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -86.104 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: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -970.649352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.649352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.649352 (E_RNA) where: Base-Base interactions energy: -629.116 where: short stacking energy: -286.879 Base-Backbone interact. energy: -1.457 local terms energy: -340.077024 where: bonds (distance) C4'-P energy: -65.570 bonds (distance) P-C4' energy: -63.293 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -49.864 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: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -871.790152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.790152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.790152 (E_RNA) where: Base-Base interactions energy: -559.494 where: short stacking energy: -266.753 Base-Backbone interact. energy: 0.138 local terms energy: -312.434177 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -60.299 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -64.196 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: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -852.088159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.088159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.088159 (E_RNA) where: Base-Base interactions energy: -573.681 where: short stacking energy: -239.735 Base-Backbone interact. energy: -1.141 local terms energy: -277.266111 where: bonds (distance) C4'-P energy: -58.693 bonds (distance) P-C4' energy: -55.707 flat angles C4'-P-C4' energy: -60.874 flat angles P-C4'-P energy: -35.764 tors. eta vs tors. theta energy: -66.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -708.700510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.700510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.700510 (E_RNA) where: Base-Base interactions energy: -453.483 where: short stacking energy: -200.008 Base-Backbone interact. energy: -1.977 local terms energy: -253.240201 where: bonds (distance) C4'-P energy: -56.902 bonds (distance) P-C4' energy: -57.268 flat angles C4'-P-C4' energy: -56.512 flat angles P-C4'-P energy: -36.783 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: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -629.436124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.436124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.436124 (E_RNA) where: Base-Base interactions energy: -391.725 where: short stacking energy: -185.350 Base-Backbone interact. energy: -0.896 local terms energy: -236.815005 where: bonds (distance) C4'-P energy: -54.156 bonds (distance) P-C4' energy: -53.248 flat angles C4'-P-C4' energy: -61.157 flat angles P-C4'-P energy: -34.487 tors. eta vs tors. theta energy: -33.767 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: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -527.493808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.493808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.493808 (E_RNA) where: Base-Base interactions energy: -320.571 where: short stacking energy: -138.103 Base-Backbone interact. energy: -1.224 local terms energy: -205.698805 where: bonds (distance) C4'-P energy: -55.483 bonds (distance) P-C4' energy: -57.362 flat angles C4'-P-C4' energy: -48.734 flat angles P-C4'-P energy: -22.439 tors. eta vs tors. theta energy: -21.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -302.207727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.207727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.207727 (E_RNA) where: Base-Base interactions energy: -116.676 where: short stacking energy: -108.891 Base-Backbone interact. energy: -0.691 local terms energy: -184.841612 where: bonds (distance) C4'-P energy: -47.376 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -41.371 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: 0.685 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: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -276.055814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.055814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.055814 (E_RNA) where: Base-Base interactions energy: -86.929 where: short stacking energy: -75.008 Base-Backbone interact. energy: 0.450 local terms energy: -189.577076 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -53.813 flat angles P-C4'-P energy: -23.303 tors. eta vs tors. theta energy: 2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1050.497257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.497257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.497257 (E_RNA) where: Base-Base interactions energy: -687.202 where: short stacking energy: -320.266 Base-Backbone interact. energy: -1.603 local terms energy: -361.692082 where: bonds (distance) C4'-P energy: -72.235 bonds (distance) P-C4' energy: -67.041 flat angles C4'-P-C4' energy: -79.370 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -89.528 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: 2, replica: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1018.592608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.592608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.592608 (E_RNA) where: Base-Base interactions energy: -691.556 where: short stacking energy: -287.790 Base-Backbone interact. energy: -1.887 local terms energy: -325.149798 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -70.304 flat angles C4'-P-C4' energy: -61.680 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -88.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -957.433086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.433086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.433086 (E_RNA) where: Base-Base interactions energy: -637.237 where: short stacking energy: -277.779 Base-Backbone interact. energy: 2.971 local terms energy: -323.166476 where: bonds (distance) C4'-P energy: -67.786 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -76.338 flat angles P-C4'-P energy: -44.384 tors. eta vs tors. theta energy: -74.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -884.186140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.186140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.186140 (E_RNA) where: Base-Base interactions energy: -594.351 where: short stacking energy: -265.694 Base-Backbone interact. energy: -1.867 local terms energy: -287.968669 where: bonds (distance) C4'-P energy: -55.841 bonds (distance) P-C4' energy: -50.073 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -40.758 tors. eta vs tors. theta energy: -75.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -843.054164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.054164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.054164 (E_RNA) where: Base-Base interactions energy: -564.360 where: short stacking energy: -250.805 Base-Backbone interact. energy: -0.937 local terms energy: -277.756771 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -60.180 flat angles C4'-P-C4' energy: -61.062 flat angles P-C4'-P energy: -32.874 tors. eta vs tors. theta energy: -62.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -718.316480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.316480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.316480 (E_RNA) where: Base-Base interactions energy: -477.760 where: short stacking energy: -208.216 Base-Backbone interact. energy: -1.376 local terms energy: -239.180591 where: bonds (distance) C4'-P energy: -53.006 bonds (distance) P-C4' energy: -55.523 flat angles C4'-P-C4' energy: -48.328 flat angles P-C4'-P energy: -37.207 tors. eta vs tors. theta energy: -45.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -605.287063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.287063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.287063 (E_RNA) where: Base-Base interactions energy: -355.192 where: short stacking energy: -178.538 Base-Backbone interact. energy: -0.787 local terms energy: -249.307473 where: bonds (distance) C4'-P energy: -48.328 bonds (distance) P-C4' energy: -60.938 flat angles C4'-P-C4' energy: -56.518 flat angles P-C4'-P energy: -37.481 tors. eta vs tors. theta energy: -46.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -541.630736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.630736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.630736 (E_RNA) where: Base-Base interactions energy: -298.962 where: short stacking energy: -161.071 Base-Backbone interact. energy: -1.563 local terms energy: -241.106091 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -60.007 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -32.520 tors. eta vs tors. theta energy: -31.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -289.959815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.959815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.959815 (E_RNA) where: Base-Base interactions energy: -96.829 where: short stacking energy: -68.692 Base-Backbone interact. energy: -1.590 local terms energy: -191.540904 where: bonds (distance) C4'-P energy: -51.429 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -43.035 flat angles P-C4'-P energy: -33.899 tors. eta vs tors. theta energy: 1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -273.172173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.172173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.172173 (E_RNA) where: Base-Base interactions energy: -95.841 where: short stacking energy: -96.099 Base-Backbone interact. energy: 0.545 local terms energy: -177.876519 where: bonds (distance) C4'-P energy: -43.352 bonds (distance) P-C4' energy: -53.155 flat angles C4'-P-C4' energy: -51.851 flat angles P-C4'-P energy: -34.055 tors. eta vs tors. theta energy: 4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1046.932843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.932843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.932843 (E_RNA) where: Base-Base interactions energy: -707.982 where: short stacking energy: -300.112 Base-Backbone interact. energy: -0.824 local terms energy: -338.126516 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -64.477 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -86.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1019.503922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.503922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.503922 (E_RNA) where: Base-Base interactions energy: -694.514 where: short stacking energy: -300.771 Base-Backbone interact. energy: 0.202 local terms energy: -325.191702 where: bonds (distance) C4'-P energy: -69.085 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -70.407 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -81.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -976.858187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.858187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.858187 (E_RNA) where: Base-Base interactions energy: -656.611 where: short stacking energy: -290.880 Base-Backbone interact. energy: -0.345 local terms energy: -319.902122 where: bonds (distance) C4'-P energy: -52.819 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -68.185 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -89.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -888.650544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.650544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.650544 (E_RNA) where: Base-Base interactions energy: -591.361 where: short stacking energy: -261.432 Base-Backbone interact. energy: -1.075 local terms energy: -296.214169 where: bonds (distance) C4'-P energy: -57.949 bonds (distance) P-C4' energy: -67.628 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -66.794 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -858.741014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.741014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.741014 (E_RNA) where: Base-Base interactions energy: -575.202 where: short stacking energy: -245.623 Base-Backbone interact. energy: 0.757 local terms energy: -284.295557 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -56.584 flat angles C4'-P-C4' energy: -68.527 flat angles P-C4'-P energy: -37.095 tors. eta vs tors. theta energy: -68.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -685.901133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.901133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.901133 (E_RNA) where: Base-Base interactions energy: -429.621 where: short stacking energy: -181.462 Base-Backbone interact. energy: -0.318 local terms energy: -255.961303 where: bonds (distance) C4'-P energy: -65.329 bonds (distance) P-C4' energy: -55.977 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -30.976 tors. eta vs tors. theta energy: -25.668 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -529.593870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.593870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.593870 (E_RNA) where: Base-Base interactions energy: -295.421 where: short stacking energy: -177.888 Base-Backbone interact. energy: -0.551 local terms energy: -233.621522 where: bonds (distance) C4'-P energy: -52.518 bonds (distance) P-C4' energy: -53.624 flat angles C4'-P-C4' energy: -59.607 flat angles P-C4'-P energy: -30.529 tors. eta vs tors. theta energy: -37.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -565.579055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.579055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.579055 (E_RNA) where: Base-Base interactions energy: -340.289 where: short stacking energy: -157.068 Base-Backbone interact. energy: -1.656 local terms energy: -223.633803 where: bonds (distance) C4'-P energy: -50.685 bonds (distance) P-C4' energy: -55.087 flat angles C4'-P-C4' energy: -53.760 flat angles P-C4'-P energy: -30.991 tors. eta vs tors. theta energy: -33.111 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: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -315.106873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.106873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.106873 (E_RNA) where: Base-Base interactions energy: -124.097 where: short stacking energy: -91.112 Base-Backbone interact. energy: -1.125 local terms energy: -189.884368 where: bonds (distance) C4'-P energy: -51.668 bonds (distance) P-C4' energy: -61.641 flat angles C4'-P-C4' energy: -55.760 flat angles P-C4'-P energy: -14.270 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -302.338527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.338527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.338527 (E_RNA) where: Base-Base interactions energy: -128.213 where: short stacking energy: -74.034 Base-Backbone interact. energy: 1.498 local terms energy: -175.623484 where: bonds (distance) C4'-P energy: -53.898 bonds (distance) P-C4' energy: -60.537 flat angles C4'-P-C4' energy: -43.110 flat angles P-C4'-P energy: -29.708 tors. eta vs tors. theta energy: 11.629 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: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1060.035308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.035308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.035308 (E_RNA) where: Base-Base interactions energy: -706.569 where: short stacking energy: -318.646 Base-Backbone interact. energy: -0.796 local terms energy: -352.670591 where: bonds (distance) C4'-P energy: -64.626 bonds (distance) P-C4' energy: -66.568 flat angles C4'-P-C4' energy: -75.848 flat angles P-C4'-P energy: -55.183 tors. eta vs tors. theta energy: -90.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1028.753351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.753351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.753351 (E_RNA) where: Base-Base interactions energy: -680.703 where: short stacking energy: -294.794 Base-Backbone interact. energy: -1.545 local terms energy: -346.505356 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -81.073 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -84.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -981.182711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.182711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.182711 (E_RNA) where: Base-Base interactions energy: -671.009 where: short stacking energy: -308.294 Base-Backbone interact. energy: 0.526 local terms energy: -310.699415 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -58.859 flat angles P-C4'-P energy: -42.469 tors. eta vs tors. theta energy: -88.233 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: 81 Temperature: 1.050000 Total energy: -936.618733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.618733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.618733 (E_RNA) where: Base-Base interactions energy: -614.027 where: short stacking energy: -266.183 Base-Backbone interact. energy: -2.398 local terms energy: -320.193874 where: bonds (distance) C4'-P energy: -60.672 bonds (distance) P-C4' energy: -65.703 flat angles C4'-P-C4' energy: -73.897 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -75.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -848.377609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.377609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.377609 (E_RNA) where: Base-Base interactions energy: -556.493 where: short stacking energy: -257.663 Base-Backbone interact. energy: -3.409 local terms energy: -288.475546 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -53.531 flat angles C4'-P-C4' energy: -67.638 flat angles P-C4'-P energy: -39.997 tors. eta vs tors. theta energy: -69.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -695.496241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.496241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.496241 (E_RNA) where: Base-Base interactions energy: -455.365 where: short stacking energy: -202.026 Base-Backbone interact. energy: -2.091 local terms energy: -238.040226 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -51.449 flat angles C4'-P-C4' energy: -52.733 flat angles P-C4'-P energy: -35.085 tors. eta vs tors. theta energy: -44.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -527.500932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.500932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.500932 (E_RNA) where: Base-Base interactions energy: -318.017 where: short stacking energy: -143.166 Base-Backbone interact. energy: -2.147 local terms energy: -207.336604 where: bonds (distance) C4'-P energy: -43.645 bonds (distance) P-C4' energy: -60.213 flat angles C4'-P-C4' energy: -45.349 flat angles P-C4'-P energy: -32.920 tors. eta vs tors. theta energy: -25.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -562.088492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.088492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.088492 (E_RNA) where: Base-Base interactions energy: -326.860 where: short stacking energy: -166.187 Base-Backbone interact. energy: -0.915 local terms energy: -234.312850 where: bonds (distance) C4'-P energy: -50.668 bonds (distance) P-C4' energy: -56.150 flat angles C4'-P-C4' energy: -48.030 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: -34.014 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: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -302.211781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.211781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.211781 (E_RNA) where: Base-Base interactions energy: -111.242 where: short stacking energy: -90.446 Base-Backbone interact. energy: -0.856 local terms energy: -190.112899 where: bonds (distance) C4'-P energy: -51.374 bonds (distance) P-C4' energy: -56.549 flat angles C4'-P-C4' energy: -59.481 flat angles P-C4'-P energy: -21.395 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -280.751869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.751869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.751869 (E_RNA) where: Base-Base interactions energy: -128.585 where: short stacking energy: -85.235 Base-Backbone interact. energy: -2.446 local terms energy: -149.720981 where: bonds (distance) C4'-P energy: -44.405 bonds (distance) P-C4' energy: -35.991 flat angles C4'-P-C4' energy: -47.072 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: 13.158 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1050.045540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.045540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.045540 (E_RNA) where: Base-Base interactions energy: -706.386 where: short stacking energy: -311.200 Base-Backbone interact. energy: 0.247 local terms energy: -343.905728 where: bonds (distance) C4'-P energy: -67.480 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -71.854 flat angles P-C4'-P energy: -46.990 tors. eta vs tors. theta energy: -87.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -999.239979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.239979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.239979 (E_RNA) where: Base-Base interactions energy: -672.047 where: short stacking energy: -299.867 Base-Backbone interact. energy: -0.945 local terms energy: -326.248339 where: bonds (distance) C4'-P energy: -52.865 bonds (distance) P-C4' energy: -61.072 flat angles C4'-P-C4' energy: -76.788 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -91.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -970.211936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.211936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.211936 (E_RNA) where: Base-Base interactions energy: -652.613 where: short stacking energy: -284.509 Base-Backbone interact. energy: 2.345 local terms energy: -319.943485 where: bonds (distance) C4'-P energy: -67.157 bonds (distance) P-C4' energy: -56.075 flat angles C4'-P-C4' energy: -70.892 flat angles P-C4'-P energy: -44.225 tors. eta vs tors. theta energy: -81.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -930.121517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.121517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.121517 (E_RNA) where: Base-Base interactions energy: -611.844 where: short stacking energy: -275.414 Base-Backbone interact. energy: -0.695 local terms energy: -317.581953 where: bonds (distance) C4'-P energy: -63.945 bonds (distance) P-C4' energy: -53.837 flat angles C4'-P-C4' energy: -69.952 flat angles P-C4'-P energy: -44.109 tors. eta vs tors. theta energy: -85.740 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -835.467177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.467177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.467177 (E_RNA) where: Base-Base interactions energy: -563.471 where: short stacking energy: -250.092 Base-Backbone interact. energy: -1.682 local terms energy: -270.314517 where: bonds (distance) C4'-P energy: -48.397 bonds (distance) P-C4' energy: -49.164 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: -61.942 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: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -742.913834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.913834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.913834 (E_RNA) where: Base-Base interactions energy: -476.147 where: short stacking energy: -204.866 Base-Backbone interact. energy: -0.319 local terms energy: -266.447265 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -38.155 tors. eta vs tors. theta energy: -41.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -597.401592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.401592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.401592 (E_RNA) where: Base-Base interactions energy: -352.437 where: short stacking energy: -172.363 Base-Backbone interact. energy: -1.363 local terms energy: -243.601477 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -46.848 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -34.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -505.098174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.098174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.098174 (E_RNA) where: Base-Base interactions energy: -293.138 where: short stacking energy: -144.657 Base-Backbone interact. energy: 5.256 local terms energy: -217.216501 where: bonds (distance) C4'-P energy: -54.442 bonds (distance) P-C4' energy: -54.441 flat angles C4'-P-C4' energy: -46.967 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -286.796948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.796948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.796948 (E_RNA) where: Base-Base interactions energy: -115.206 where: short stacking energy: -93.023 Base-Backbone interact. energy: 0.357 local terms energy: -171.948114 where: bonds (distance) C4'-P energy: -42.348 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -50.504 flat angles P-C4'-P energy: -26.114 tors. eta vs tors. theta energy: 1.470 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: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -287.883318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.883318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.883318 (E_RNA) where: Base-Base interactions energy: -129.961 where: short stacking energy: -100.676 Base-Backbone interact. energy: 2.760 local terms energy: -160.682631 where: bonds (distance) C4'-P energy: -56.037 bonds (distance) P-C4' energy: -62.330 flat angles C4'-P-C4' energy: -29.186 flat angles P-C4'-P energy: -26.811 tors. eta vs tors. theta energy: 13.682 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: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1027.771147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.771147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.771147 (E_RNA) where: Base-Base interactions energy: -687.382 where: short stacking energy: -305.317 Base-Backbone interact. energy: -1.568 local terms energy: -338.820871 where: bonds (distance) C4'-P energy: -60.784 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -89.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1014.865951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.865951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.865951 (E_RNA) where: Base-Base interactions energy: -678.077 where: short stacking energy: -306.460 Base-Backbone interact. energy: 0.035 local terms energy: -336.824107 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -66.856 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -37.755 tors. eta vs tors. theta energy: -87.122 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: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1012.902973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.902973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.902973 (E_RNA) where: Base-Base interactions energy: -670.517 where: short stacking energy: -284.752 Base-Backbone interact. energy: -1.890 local terms energy: -340.496414 where: bonds (distance) C4'-P energy: -63.492 bonds (distance) P-C4' energy: -72.540 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -91.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -896.689989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.689989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.689989 (E_RNA) where: Base-Base interactions energy: -601.509 where: short stacking energy: -274.366 Base-Backbone interact. energy: -0.726 local terms energy: -294.455515 where: bonds (distance) C4'-P energy: -58.792 bonds (distance) P-C4' energy: -55.136 flat angles C4'-P-C4' energy: -57.712 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -74.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -870.234784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.234784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.234784 (E_RNA) where: Base-Base interactions energy: -590.680 where: short stacking energy: -274.379 Base-Backbone interact. energy: 0.893 local terms energy: -280.448058 where: bonds (distance) C4'-P energy: -42.120 bonds (distance) P-C4' energy: -53.887 flat angles C4'-P-C4' energy: -65.054 flat angles P-C4'-P energy: -39.113 tors. eta vs tors. theta energy: -80.274 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: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -722.762690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.762690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.762690 (E_RNA) where: Base-Base interactions energy: -465.168 where: short stacking energy: -204.399 Base-Backbone interact. energy: 0.567 local terms energy: -258.161137 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -59.970 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -38.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -594.517628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.517628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.517628 (E_RNA) where: Base-Base interactions energy: -357.281 where: short stacking energy: -174.846 Base-Backbone interact. energy: -1.357 local terms energy: -235.880003 where: bonds (distance) C4'-P energy: -44.595 bonds (distance) P-C4' energy: -60.028 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -34.861 tors. eta vs tors. theta energy: -43.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -517.177428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.177428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.177428 (E_RNA) where: Base-Base interactions energy: -299.330 where: short stacking energy: -159.245 Base-Backbone interact. energy: -0.921 local terms energy: -216.926338 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -46.222 flat angles C4'-P-C4' energy: -46.775 flat angles P-C4'-P energy: -41.124 tors. eta vs tors. theta energy: -22.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -281.850080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.850080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.850080 (E_RNA) where: Base-Base interactions energy: -108.747 where: short stacking energy: -106.825 Base-Backbone interact. energy: 1.185 local terms energy: -174.288415 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -39.823 flat angles P-C4'-P energy: -27.895 tors. eta vs tors. theta energy: 2.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -291.725987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.725987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.725987 (E_RNA) where: Base-Base interactions energy: -126.018 where: short stacking energy: -75.730 Base-Backbone interact. energy: 1.178 local terms energy: -166.886567 where: bonds (distance) C4'-P energy: -52.312 bonds (distance) P-C4' energy: -50.051 flat angles C4'-P-C4' energy: -43.067 flat angles P-C4'-P energy: -31.019 tors. eta vs tors. theta energy: 9.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1032.040018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.040018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.040018 (E_RNA) where: Base-Base interactions energy: -685.635 where: short stacking energy: -307.762 Base-Backbone interact. energy: -2.793 local terms energy: -343.611920 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -74.766 flat angles C4'-P-C4' energy: -68.940 flat angles P-C4'-P energy: -44.957 tors. eta vs tors. theta energy: -89.618 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: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1028.686729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.686729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.686729 (E_RNA) where: Base-Base interactions energy: -689.330 where: short stacking energy: -309.537 Base-Backbone interact. energy: -2.131 local terms energy: -337.226440 where: bonds (distance) C4'-P energy: -70.237 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -40.794 tors. eta vs tors. theta energy: -87.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -993.591608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.591608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.591608 (E_RNA) where: Base-Base interactions energy: -661.109 where: short stacking energy: -291.959 Base-Backbone interact. energy: -1.825 local terms energy: -330.657291 where: bonds (distance) C4'-P energy: -61.761 bonds (distance) P-C4' energy: -61.578 flat angles C4'-P-C4' energy: -74.690 flat angles P-C4'-P energy: -48.671 tors. eta vs tors. theta energy: -83.957 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -889.028468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.028468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.028468 (E_RNA) where: Base-Base interactions energy: -584.951 where: short stacking energy: -264.701 Base-Backbone interact. energy: -0.814 local terms energy: -303.264233 where: bonds (distance) C4'-P energy: -56.986 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -61.791 flat angles P-C4'-P energy: -43.949 tors. eta vs tors. theta energy: -78.312 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: 84 Temperature: 1.100000 Total energy: -891.799943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.799943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.799943 (E_RNA) where: Base-Base interactions energy: -573.933 where: short stacking energy: -262.379 Base-Backbone interact. energy: -0.404 local terms energy: -317.462056 where: bonds (distance) C4'-P energy: -59.739 bonds (distance) P-C4' energy: -58.175 flat angles C4'-P-C4' energy: -70.827 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -77.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -739.111753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.111753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.111753 (E_RNA) where: Base-Base interactions energy: -467.513 where: short stacking energy: -222.120 Base-Backbone interact. energy: 0.068 local terms energy: -271.667515 where: bonds (distance) C4'-P energy: -48.545 bonds (distance) P-C4' energy: -51.923 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -57.529 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: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -596.851818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.851818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.851818 (E_RNA) where: Base-Base interactions energy: -338.978 where: short stacking energy: -188.974 Base-Backbone interact. energy: -0.446 local terms energy: -257.428039 where: bonds (distance) C4'-P energy: -51.667 bonds (distance) P-C4' energy: -64.296 flat angles C4'-P-C4' energy: -52.314 flat angles P-C4'-P energy: -38.761 tors. eta vs tors. theta energy: -50.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -529.569337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.569337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.569337 (E_RNA) where: Base-Base interactions energy: -296.991 where: short stacking energy: -144.554 Base-Backbone interact. energy: -1.546 local terms energy: -231.032367 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -62.457 flat angles P-C4'-P energy: -36.979 tors. eta vs tors. theta energy: -16.972 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -308.757388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.757388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.757388 (E_RNA) where: Base-Base interactions energy: -137.355 where: short stacking energy: -84.747 Base-Backbone interact. energy: 0.271 local terms energy: -171.673305 where: bonds (distance) C4'-P energy: -55.332 bonds (distance) P-C4' energy: -52.131 flat angles C4'-P-C4' energy: -51.037 flat angles P-C4'-P energy: -23.048 tors. eta vs tors. theta energy: 9.874 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: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -262.118849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.118849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.118849 (E_RNA) where: Base-Base interactions energy: -107.277 where: short stacking energy: -71.461 Base-Backbone interact. energy: -0.731 local terms energy: -154.111236 where: bonds (distance) C4'-P energy: -39.421 bonds (distance) P-C4' energy: -43.086 flat angles C4'-P-C4' energy: -57.518 flat angles P-C4'-P energy: -17.249 tors. eta vs tors. theta energy: 3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1013.877737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.877737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.877737 (E_RNA) where: Base-Base interactions energy: -679.586 where: short stacking energy: -299.986 Base-Backbone interact. energy: -0.687 local terms energy: -333.605089 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -63.112 flat angles C4'-P-C4' energy: -69.152 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -84.368 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: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1019.852124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.852124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.852124 (E_RNA) where: Base-Base interactions energy: -690.669 where: short stacking energy: -293.383 Base-Backbone interact. energy: 0.126 local terms energy: -329.309707 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -64.640 flat angles C4'-P-C4' energy: -70.586 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -78.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -985.821332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.821332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.821332 (E_RNA) where: Base-Base interactions energy: -670.163 where: short stacking energy: -283.852 Base-Backbone interact. energy: -1.425 local terms energy: -314.233636 where: bonds (distance) C4'-P energy: -62.284 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -82.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -932.488620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.488620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.488620 (E_RNA) where: Base-Base interactions energy: -623.056 where: short stacking energy: -267.078 Base-Backbone interact. energy: 6.367 local terms energy: -315.800029 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -60.866 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -77.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -849.112556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.112556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.112556 (E_RNA) where: Base-Base interactions energy: -565.826 where: short stacking energy: -231.790 Base-Backbone interact. energy: -0.764 local terms energy: -282.523254 where: bonds (distance) C4'-P energy: -45.742 bonds (distance) P-C4' energy: -57.304 flat angles C4'-P-C4' energy: -69.024 flat angles P-C4'-P energy: -44.554 tors. eta vs tors. theta energy: -65.900 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: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -727.876771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.876771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.876771 (E_RNA) where: Base-Base interactions energy: -451.762 where: short stacking energy: -219.383 Base-Backbone interact. energy: -1.316 local terms energy: -274.798916 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -59.731 flat angles C4'-P-C4' energy: -57.528 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: -51.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -590.947564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.947564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.947564 (E_RNA) where: Base-Base interactions energy: -369.732 where: short stacking energy: -197.076 Base-Backbone interact. energy: -1.149 local terms energy: -220.065910 where: bonds (distance) C4'-P energy: -48.971 bonds (distance) P-C4' energy: -48.471 flat angles C4'-P-C4' energy: -48.653 flat angles P-C4'-P energy: -35.947 tors. eta vs tors. theta energy: -38.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -509.626797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.626797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.626797 (E_RNA) where: Base-Base interactions energy: -302.265 where: short stacking energy: -164.989 Base-Backbone interact. energy: -0.997 local terms energy: -206.364638 where: bonds (distance) C4'-P energy: -51.769 bonds (distance) P-C4' energy: -63.077 flat angles C4'-P-C4' energy: -49.110 flat angles P-C4'-P energy: -17.227 tors. eta vs tors. theta energy: -25.181 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: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -328.353492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.353492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.353492 (E_RNA) where: Base-Base interactions energy: -132.416 where: short stacking energy: -81.344 Base-Backbone interact. energy: 5.618 local terms energy: -201.554768 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -47.955 flat angles P-C4'-P energy: -36.016 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -284.387953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.387953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.387953 (E_RNA) where: Base-Base interactions energy: -102.413 where: short stacking energy: -82.731 Base-Backbone interact. energy: -0.516 local terms energy: -181.459114 where: bonds (distance) C4'-P energy: -60.085 bonds (distance) P-C4' energy: -56.962 flat angles C4'-P-C4' energy: -41.423 flat angles P-C4'-P energy: -29.591 tors. eta vs tors. theta energy: 6.603 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: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1019.410232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.410232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.410232 (E_RNA) where: Base-Base interactions energy: -689.846 where: short stacking energy: -297.866 Base-Backbone interact. energy: -1.437 local terms energy: -328.127252 where: bonds (distance) C4'-P energy: -62.265 bonds (distance) P-C4' energy: -64.168 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -81.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1027.971181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.971181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.971181 (E_RNA) where: Base-Base interactions energy: -689.953 where: short stacking energy: -314.603 Base-Backbone interact. energy: -0.808 local terms energy: -337.209921 where: bonds (distance) C4'-P energy: -66.601 bonds (distance) P-C4' energy: -65.870 flat angles C4'-P-C4' energy: -70.412 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -81.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -973.311653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.311653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.311653 (E_RNA) where: Base-Base interactions energy: -660.384 where: short stacking energy: -289.552 Base-Backbone interact. energy: 3.865 local terms energy: -316.792506 where: bonds (distance) C4'-P energy: -55.130 bonds (distance) P-C4' energy: -67.826 flat angles C4'-P-C4' energy: -69.346 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: -83.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -947.126997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.126997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.126997 (E_RNA) where: Base-Base interactions energy: -626.668 where: short stacking energy: -297.779 Base-Backbone interact. energy: 1.034 local terms energy: -321.493481 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -67.280 flat angles P-C4'-P energy: -39.603 tors. eta vs tors. theta energy: -80.766 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: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -886.308062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.308062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.308062 (E_RNA) where: Base-Base interactions energy: -570.774 where: short stacking energy: -248.861 Base-Backbone interact. energy: -1.527 local terms energy: -314.006349 where: bonds (distance) C4'-P energy: -63.502 bonds (distance) P-C4' energy: -61.679 flat angles C4'-P-C4' energy: -64.478 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: -80.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -721.676958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.676958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.676958 (E_RNA) where: Base-Base interactions energy: -450.407 where: short stacking energy: -231.593 Base-Backbone interact. energy: -1.544 local terms energy: -269.726295 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -58.501 flat angles C4'-P-C4' energy: -61.146 flat angles P-C4'-P energy: -41.138 tors. eta vs tors. theta energy: -57.440 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: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -599.905682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.905682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.905682 (E_RNA) where: Base-Base interactions energy: -374.869 where: short stacking energy: -149.488 Base-Backbone interact. energy: -1.839 local terms energy: -223.197418 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -54.249 flat angles C4'-P-C4' energy: -48.227 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -20.094 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: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -520.411355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.411355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.411355 (E_RNA) where: Base-Base interactions energy: -313.491 where: short stacking energy: -172.364 Base-Backbone interact. energy: -1.090 local terms energy: -205.830262 where: bonds (distance) C4'-P energy: -44.799 bonds (distance) P-C4' energy: -42.891 flat angles C4'-P-C4' energy: -56.648 flat angles P-C4'-P energy: -30.140 tors. eta vs tors. theta energy: -31.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -334.202269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.202269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.202269 (E_RNA) where: Base-Base interactions energy: -152.888 where: short stacking energy: -108.834 Base-Backbone interact. energy: -1.192 local terms energy: -180.122315 where: bonds (distance) C4'-P energy: -44.874 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -37.690 flat angles P-C4'-P energy: -24.508 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -264.906917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.906917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.906917 (E_RNA) where: Base-Base interactions energy: -105.842 where: short stacking energy: -79.622 Base-Backbone interact. energy: 0.140 local terms energy: -159.205335 where: bonds (distance) C4'-P energy: -48.014 bonds (distance) P-C4' energy: -45.063 flat angles C4'-P-C4' energy: -47.507 flat angles P-C4'-P energy: -17.973 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1026.424994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.424994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.424994 (E_RNA) where: Base-Base interactions energy: -694.868 where: short stacking energy: -305.018 Base-Backbone interact. energy: -1.341 local terms energy: -330.215246 where: bonds (distance) C4'-P energy: -71.255 bonds (distance) P-C4' energy: -65.944 flat angles C4'-P-C4' energy: -68.926 flat angles P-C4'-P energy: -44.093 tors. eta vs tors. theta energy: -79.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1021.701040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.701040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.701040 (E_RNA) where: Base-Base interactions energy: -693.997 where: short stacking energy: -317.292 Base-Backbone interact. energy: -1.439 local terms energy: -326.265880 where: bonds (distance) C4'-P energy: -59.035 bonds (distance) P-C4' energy: -68.169 flat angles C4'-P-C4' energy: -77.062 flat angles P-C4'-P energy: -41.667 tors. eta vs tors. theta energy: -80.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -956.215192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.215192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.215192 (E_RNA) where: Base-Base interactions energy: -618.115 where: short stacking energy: -277.110 Base-Backbone interact. energy: -3.404 local terms energy: -334.696667 where: bonds (distance) C4'-P energy: -72.166 bonds (distance) P-C4' energy: -56.707 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -87.904 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: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -897.278526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.278526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.278526 (E_RNA) where: Base-Base interactions energy: -604.622 where: short stacking energy: -252.524 Base-Backbone interact. energy: -2.792 local terms energy: -289.863928 where: bonds (distance) C4'-P energy: -54.214 bonds (distance) P-C4' energy: -54.879 flat angles C4'-P-C4' energy: -67.152 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -70.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -918.507882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.507882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.507882 (E_RNA) where: Base-Base interactions energy: -618.387 where: short stacking energy: -271.309 Base-Backbone interact. energy: -1.117 local terms energy: -299.004441 where: bonds (distance) C4'-P energy: -52.155 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -62.502 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -80.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -690.213773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.213773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.213773 (E_RNA) where: Base-Base interactions energy: -427.882 where: short stacking energy: -211.041 Base-Backbone interact. energy: -1.317 local terms energy: -261.014248 where: bonds (distance) C4'-P energy: -60.951 bonds (distance) P-C4' energy: -62.502 flat angles C4'-P-C4' energy: -54.726 flat angles P-C4'-P energy: -37.117 tors. eta vs tors. theta energy: -45.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -566.700767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.700767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.700767 (E_RNA) where: Base-Base interactions energy: -334.828 where: short stacking energy: -159.762 Base-Backbone interact. energy: -2.413 local terms energy: -229.460374 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -58.968 flat angles C4'-P-C4' energy: -50.602 flat angles P-C4'-P energy: -27.704 tors. eta vs tors. theta energy: -32.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -508.333815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.333815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.333815 (E_RNA) where: Base-Base interactions energy: -286.863 where: short stacking energy: -147.093 Base-Backbone interact. energy: 3.178 local terms energy: -224.649518 where: bonds (distance) C4'-P energy: -51.732 bonds (distance) P-C4' energy: -59.971 flat angles C4'-P-C4' energy: -53.532 flat angles P-C4'-P energy: -34.610 tors. eta vs tors. theta energy: -24.804 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: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -287.586401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.586401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.586401 (E_RNA) where: Base-Base interactions energy: -115.979 where: short stacking energy: -67.168 Base-Backbone interact. energy: 2.515 local terms energy: -174.122887 where: bonds (distance) C4'-P energy: -51.501 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -52.816 flat angles P-C4'-P energy: -29.548 tors. eta vs tors. theta energy: 19.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -275.621329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.621329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.621329 (E_RNA) where: Base-Base interactions energy: -104.295 where: short stacking energy: -59.628 Base-Backbone interact. energy: 0.614 local terms energy: -171.940799 where: bonds (distance) C4'-P energy: -46.355 bonds (distance) P-C4' energy: -56.303 flat angles C4'-P-C4' energy: -40.446 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: 8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1059.310605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.310605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.310605 (E_RNA) where: Base-Base interactions energy: -702.211 where: short stacking energy: -310.656 Base-Backbone interact. energy: -0.029 local terms energy: -357.071096 where: bonds (distance) C4'-P energy: -63.853 bonds (distance) P-C4' energy: -75.344 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -55.837 tors. eta vs tors. theta energy: -88.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1001.915680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.915680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.915680 (E_RNA) where: Base-Base interactions energy: -684.332 where: short stacking energy: -297.481 Base-Backbone interact. energy: 0.955 local terms energy: -318.538533 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -66.978 flat angles C4'-P-C4' energy: -60.969 flat angles P-C4'-P energy: -48.049 tors. eta vs tors. theta energy: -88.757 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: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -964.011137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.011137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.011137 (E_RNA) where: Base-Base interactions energy: -642.873 where: short stacking energy: -272.325 Base-Backbone interact. energy: -1.747 local terms energy: -319.391037 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -63.852 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -75.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -905.111412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.111412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.111412 (E_RNA) where: Base-Base interactions energy: -602.441 where: short stacking energy: -277.448 Base-Backbone interact. energy: 0.406 local terms energy: -303.076687 where: bonds (distance) C4'-P energy: -52.165 bonds (distance) P-C4' energy: -62.393 flat angles C4'-P-C4' energy: -66.998 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -75.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -917.326249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.326249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.326249 (E_RNA) where: Base-Base interactions energy: -603.962 where: short stacking energy: -253.647 Base-Backbone interact. energy: -1.475 local terms energy: -311.889159 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -64.098 flat angles C4'-P-C4' energy: -65.643 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -81.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -684.997198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.997198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.997198 (E_RNA) where: Base-Base interactions energy: -411.124 where: short stacking energy: -215.194 Base-Backbone interact. energy: -3.416 local terms energy: -270.457515 where: bonds (distance) C4'-P energy: -55.604 bonds (distance) P-C4' energy: -64.129 flat angles C4'-P-C4' energy: -61.223 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: -50.662 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: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -540.784474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.784474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.784474 (E_RNA) where: Base-Base interactions energy: -309.362 where: short stacking energy: -171.165 Base-Backbone interact. energy: -0.271 local terms energy: -231.151939 where: bonds (distance) C4'-P energy: -57.197 bonds (distance) P-C4' energy: -57.775 flat angles C4'-P-C4' energy: -50.940 flat angles P-C4'-P energy: -33.267 tors. eta vs tors. theta energy: -31.973 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: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -537.215593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.215593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.215593 (E_RNA) where: Base-Base interactions energy: -320.033 where: short stacking energy: -160.412 Base-Backbone interact. energy: -0.528 local terms energy: -216.653959 where: bonds (distance) C4'-P energy: -43.127 bonds (distance) P-C4' energy: -61.669 flat angles C4'-P-C4' energy: -50.632 flat angles P-C4'-P energy: -26.544 tors. eta vs tors. theta energy: -34.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -292.828269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.828269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.828269 (E_RNA) where: Base-Base interactions energy: -112.749 where: short stacking energy: -95.091 Base-Backbone interact. energy: 0.237 local terms energy: -180.317068 where: bonds (distance) C4'-P energy: -43.232 bonds (distance) P-C4' energy: -59.229 flat angles C4'-P-C4' energy: -48.170 flat angles P-C4'-P energy: -30.962 tors. eta vs tors. theta energy: 1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -269.818339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.818339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.818339 (E_RNA) where: Base-Base interactions energy: -100.127 where: short stacking energy: -65.068 Base-Backbone interact. energy: -2.664 local terms energy: -167.026622 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -47.650 flat angles C4'-P-C4' energy: -51.565 flat angles P-C4'-P energy: -27.260 tors. eta vs tors. theta energy: 18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1030.431318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.431318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.431318 (E_RNA) where: Base-Base interactions energy: -695.487 where: short stacking energy: -314.929 Base-Backbone interact. energy: 0.965 local terms energy: -335.909498 where: bonds (distance) C4'-P energy: -56.735 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -76.739 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -84.836 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: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1001.656683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.656683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.656683 (E_RNA) where: Base-Base interactions energy: -668.142 where: short stacking energy: -296.201 Base-Backbone interact. energy: -0.434 local terms energy: -333.081163 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -74.037 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -82.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -993.417448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.417448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.417448 (E_RNA) where: Base-Base interactions energy: -672.003 where: short stacking energy: -281.156 Base-Backbone interact. energy: -1.320 local terms energy: -320.093716 where: bonds (distance) C4'-P energy: -50.840 bonds (distance) P-C4' energy: -69.694 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -40.518 tors. eta vs tors. theta energy: -85.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -935.004455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.004455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.004455 (E_RNA) where: Base-Base interactions energy: -638.170 where: short stacking energy: -275.502 Base-Backbone interact. energy: -2.164 local terms energy: -294.671039 where: bonds (distance) C4'-P energy: -49.348 bonds (distance) P-C4' energy: -62.218 flat angles C4'-P-C4' energy: -67.433 flat angles P-C4'-P energy: -36.827 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: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -866.135419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.135419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.135419 (E_RNA) where: Base-Base interactions energy: -575.065 where: short stacking energy: -250.898 Base-Backbone interact. energy: -0.285 local terms energy: -290.785956 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -62.767 flat angles C4'-P-C4' energy: -53.256 flat angles P-C4'-P energy: -40.354 tors. eta vs tors. theta energy: -78.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -657.945931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.945931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.945931 (E_RNA) where: Base-Base interactions energy: -405.749 where: short stacking energy: -210.110 Base-Backbone interact. energy: 0.172 local terms energy: -252.368874 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -55.578 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -46.200 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: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -542.803577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.803577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.803577 (E_RNA) where: Base-Base interactions energy: -305.618 where: short stacking energy: -160.556 Base-Backbone interact. energy: -2.460 local terms energy: -234.725780 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -59.885 flat angles C4'-P-C4' energy: -59.720 flat angles P-C4'-P energy: -37.765 tors. eta vs tors. theta energy: -24.032 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: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -534.653437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.653437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.653437 (E_RNA) where: Base-Base interactions energy: -294.082 where: short stacking energy: -149.711 Base-Backbone interact. energy: -1.854 local terms energy: -238.717026 where: bonds (distance) C4'-P energy: -58.540 bonds (distance) P-C4' energy: -68.061 flat angles C4'-P-C4' energy: -52.927 flat angles P-C4'-P energy: -30.590 tors. eta vs tors. theta energy: -28.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -291.538602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.538602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.538602 (E_RNA) where: Base-Base interactions energy: -105.477 where: short stacking energy: -74.288 Base-Backbone interact. energy: 1.398 local terms energy: -187.459911 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -47.831 flat angles C4'-P-C4' energy: -40.014 flat angles P-C4'-P energy: -30.547 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -267.250855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.250855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.250855 (E_RNA) where: Base-Base interactions energy: -103.122 where: short stacking energy: -101.043 Base-Backbone interact. energy: -1.375 local terms energy: -162.753938 where: bonds (distance) C4'-P energy: -40.445 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -48.070 flat angles P-C4'-P energy: -24.165 tors. eta vs tors. theta energy: 6.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1034.232897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.232897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.232897 (E_RNA) where: Base-Base interactions energy: -692.600 where: short stacking energy: -300.333 Base-Backbone interact. energy: -0.522 local terms energy: -341.111573 where: bonds (distance) C4'-P energy: -67.916 bonds (distance) P-C4' energy: -66.789 flat angles C4'-P-C4' energy: -69.137 flat angles P-C4'-P energy: -51.151 tors. eta vs tors. theta energy: -86.118 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: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1021.731861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.731861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.731861 (E_RNA) where: Base-Base interactions energy: -708.970 where: short stacking energy: -303.494 Base-Backbone interact. energy: 1.437 local terms energy: -314.198994 where: bonds (distance) C4'-P energy: -57.638 bonds (distance) P-C4' energy: -53.982 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -85.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -975.395006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.395006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.395006 (E_RNA) where: Base-Base interactions energy: -645.138 where: short stacking energy: -270.698 Base-Backbone interact. energy: -0.785 local terms energy: -329.471635 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -67.735 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: -84.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -925.086136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.086136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.086136 (E_RNA) where: Base-Base interactions energy: -606.324 where: short stacking energy: -276.935 Base-Backbone interact. energy: 0.062 local terms energy: -318.824723 where: bonds (distance) C4'-P energy: -61.653 bonds (distance) P-C4' energy: -51.187 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -45.416 tors. eta vs tors. theta energy: -90.797 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: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -857.741038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.741038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.741038 (E_RNA) where: Base-Base interactions energy: -577.635 where: short stacking energy: -251.063 Base-Backbone interact. energy: -1.005 local terms energy: -279.100660 where: bonds (distance) C4'-P energy: -56.881 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -63.617 flat angles P-C4'-P energy: -32.395 tors. eta vs tors. theta energy: -64.281 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: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -644.124222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.124222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.124222 (E_RNA) where: Base-Base interactions energy: -384.147 where: short stacking energy: -194.557 Base-Backbone interact. energy: -0.355 local terms energy: -259.623144 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -59.216 flat angles P-C4'-P energy: -39.602 tors. eta vs tors. theta energy: -47.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -576.625212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.625212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.625212 (E_RNA) where: Base-Base interactions energy: -338.497 where: short stacking energy: -177.778 Base-Backbone interact. energy: 0.946 local terms energy: -239.073669 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -64.313 flat angles C4'-P-C4' energy: -52.703 flat angles P-C4'-P energy: -19.962 tors. eta vs tors. theta energy: -39.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -554.089917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.089917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.089917 (E_RNA) where: Base-Base interactions energy: -322.594 where: short stacking energy: -167.024 Base-Backbone interact. energy: -1.250 local terms energy: -230.245846 where: bonds (distance) C4'-P energy: -47.561 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -54.689 flat angles P-C4'-P energy: -38.463 tors. eta vs tors. theta energy: -24.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -325.663955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.663955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.663955 (E_RNA) where: Base-Base interactions energy: -119.529 where: short stacking energy: -99.067 Base-Backbone interact. energy: -1.583 local terms energy: -204.551583 where: bonds (distance) C4'-P energy: -58.605 bonds (distance) P-C4' energy: -47.398 flat angles C4'-P-C4' energy: -56.426 flat angles P-C4'-P energy: -34.717 tors. eta vs tors. theta energy: -7.406 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -267.421098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.421098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.421098 (E_RNA) where: Base-Base interactions energy: -92.942 where: short stacking energy: -74.811 Base-Backbone interact. energy: -0.864 local terms energy: -173.615289 where: bonds (distance) C4'-P energy: -53.824 bonds (distance) P-C4' energy: -54.905 flat angles C4'-P-C4' energy: -47.711 flat angles P-C4'-P energy: -30.368 tors. eta vs tors. theta energy: 13.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1033.584462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.584462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.584462 (E_RNA) where: Base-Base interactions energy: -689.404 where: short stacking energy: -308.823 Base-Backbone interact. energy: -1.131 local terms energy: -343.049570 where: bonds (distance) C4'-P energy: -67.310 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -72.988 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -88.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1043.537751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.537751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.537751 (E_RNA) where: Base-Base interactions energy: -698.793 where: short stacking energy: -307.123 Base-Backbone interact. energy: -0.811 local terms energy: -343.934145 where: bonds (distance) C4'-P energy: -62.410 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -78.644 flat angles P-C4'-P energy: -53.046 tors. eta vs tors. theta energy: -83.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -969.273276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.273276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.273276 (E_RNA) where: Base-Base interactions energy: -665.594 where: short stacking energy: -291.686 Base-Backbone interact. energy: -2.047 local terms energy: -301.632076 where: bonds (distance) C4'-P energy: -61.485 bonds (distance) P-C4' energy: -56.475 flat angles C4'-P-C4' energy: -64.149 flat angles P-C4'-P energy: -43.235 tors. eta vs tors. theta energy: -76.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -925.642791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.642791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.642791 (E_RNA) where: Base-Base interactions energy: -619.672 where: short stacking energy: -276.738 Base-Backbone interact. energy: 0.301 local terms energy: -306.271743 where: bonds (distance) C4'-P energy: -74.882 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -28.245 tors. eta vs tors. theta energy: -77.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -851.446985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.446985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.446985 (E_RNA) where: Base-Base interactions energy: -585.067 where: short stacking energy: -260.167 Base-Backbone interact. energy: -0.616 local terms energy: -265.763926 where: bonds (distance) C4'-P energy: -43.019 bonds (distance) P-C4' energy: -61.877 flat angles C4'-P-C4' energy: -61.601 flat angles P-C4'-P energy: -35.255 tors. eta vs tors. theta energy: -64.011 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: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -661.489709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.489709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.489709 (E_RNA) where: Base-Base interactions energy: -397.307 where: short stacking energy: -180.027 Base-Backbone interact. energy: -0.655 local terms energy: -263.527283 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -62.302 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -40.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -575.920145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.920145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.920145 (E_RNA) where: Base-Base interactions energy: -341.718 where: short stacking energy: -156.148 Base-Backbone interact. energy: 1.088 local terms energy: -235.290563 where: bonds (distance) C4'-P energy: -56.039 bonds (distance) P-C4' energy: -53.045 flat angles C4'-P-C4' energy: -60.716 flat angles P-C4'-P energy: -30.462 tors. eta vs tors. theta energy: -35.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -564.006170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.006170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.006170 (E_RNA) where: Base-Base interactions energy: -340.174 where: short stacking energy: -161.337 Base-Backbone interact. energy: 0.104 local terms energy: -223.936383 where: bonds (distance) C4'-P energy: -50.223 bonds (distance) P-C4' energy: -53.486 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -32.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -306.841843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.841843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.841843 (E_RNA) where: Base-Base interactions energy: -128.434 where: short stacking energy: -78.793 Base-Backbone interact. energy: -0.720 local terms energy: -177.687750 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -54.090 flat angles C4'-P-C4' energy: -42.561 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: 5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -271.350824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.350824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.350824 (E_RNA) where: Base-Base interactions energy: -93.916 where: short stacking energy: -79.906 Base-Backbone interact. energy: 0.074 local terms energy: -177.509013 where: bonds (distance) C4'-P energy: -57.626 bonds (distance) P-C4' energy: -48.016 flat angles C4'-P-C4' energy: -45.827 flat angles P-C4'-P energy: -29.366 tors. eta vs tors. theta energy: 3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1074.816784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.816784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.816784 (E_RNA) where: Base-Base interactions energy: -726.433 where: short stacking energy: -311.448 Base-Backbone interact. energy: -0.558 local terms energy: -347.825582 where: bonds (distance) C4'-P energy: -60.965 bonds (distance) P-C4' energy: -65.321 flat angles C4'-P-C4' energy: -75.103 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -91.248 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: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1000.227733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.227733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.227733 (E_RNA) where: Base-Base interactions energy: -687.688 where: short stacking energy: -296.437 Base-Backbone interact. energy: -1.078 local terms energy: -311.461060 where: bonds (distance) C4'-P energy: -62.121 bonds (distance) P-C4' energy: -55.843 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: -76.473 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: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -973.698082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.698082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.698082 (E_RNA) where: Base-Base interactions energy: -649.376 where: short stacking energy: -284.747 Base-Backbone interact. energy: 1.070 local terms energy: -325.391565 where: bonds (distance) C4'-P energy: -57.171 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -70.244 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -80.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -939.805068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.805068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.805068 (E_RNA) where: Base-Base interactions energy: -637.754 where: short stacking energy: -270.752 Base-Backbone interact. energy: -0.099 local terms energy: -301.952150 where: bonds (distance) C4'-P energy: -59.366 bonds (distance) P-C4' energy: -67.860 flat angles C4'-P-C4' energy: -52.414 flat angles P-C4'-P energy: -37.316 tors. eta vs tors. theta energy: -84.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -878.558010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.558010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.558010 (E_RNA) where: Base-Base interactions energy: -588.919 where: short stacking energy: -259.733 Base-Backbone interact. energy: -1.895 local terms energy: -287.743934 where: bonds (distance) C4'-P energy: -64.655 bonds (distance) P-C4' energy: -55.138 flat angles C4'-P-C4' energy: -55.702 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -73.759 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: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -651.605272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.605272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.605272 (E_RNA) where: Base-Base interactions energy: -388.316 where: short stacking energy: -180.391 Base-Backbone interact. energy: -1.627 local terms energy: -261.661802 where: bonds (distance) C4'-P energy: -56.880 bonds (distance) P-C4' energy: -66.602 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -43.681 tors. eta vs tors. theta energy: -32.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -623.333455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.333455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.333455 (E_RNA) where: Base-Base interactions energy: -405.140 where: short stacking energy: -189.002 Base-Backbone interact. energy: -1.569 local terms energy: -216.624982 where: bonds (distance) C4'-P energy: -52.423 bonds (distance) P-C4' energy: -54.430 flat angles C4'-P-C4' energy: -44.927 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -30.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -595.607742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.607742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.607742 (E_RNA) where: Base-Base interactions energy: -372.043 where: short stacking energy: -179.104 Base-Backbone interact. energy: 0.157 local terms energy: -223.721264 where: bonds (distance) C4'-P energy: -56.195 bonds (distance) P-C4' energy: -55.672 flat angles C4'-P-C4' energy: -48.012 flat angles P-C4'-P energy: -26.899 tors. eta vs tors. theta energy: -36.943 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: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -301.119431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.119431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.119431 (E_RNA) where: Base-Base interactions energy: -130.815 where: short stacking energy: -82.903 Base-Backbone interact. energy: 2.457 local terms energy: -172.761063 where: bonds (distance) C4'-P energy: -53.751 bonds (distance) P-C4' energy: -51.923 flat angles C4'-P-C4' energy: -51.330 flat angles P-C4'-P energy: -21.854 tors. eta vs tors. theta energy: 6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -325.379806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.379806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.379806 (E_RNA) where: Base-Base interactions energy: -145.560 where: short stacking energy: -73.378 Base-Backbone interact. energy: 6.285 local terms energy: -186.104890 where: bonds (distance) C4'-P energy: -42.125 bonds (distance) P-C4' energy: -52.864 flat angles C4'-P-C4' energy: -59.507 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: 9.810 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: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1061.386684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.386684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.386684 (E_RNA) where: Base-Base interactions energy: -709.067 where: short stacking energy: -298.613 Base-Backbone interact. energy: -0.832 local terms energy: -351.487523 where: bonds (distance) C4'-P energy: -69.180 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -42.787 tors. eta vs tors. theta energy: -90.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1023.154769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.154769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.154769 (E_RNA) where: Base-Base interactions energy: -693.429 where: short stacking energy: -305.353 Base-Backbone interact. energy: 0.781 local terms energy: -330.507340 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -64.583 flat angles C4'-P-C4' energy: -71.700 flat angles P-C4'-P energy: -52.534 tors. eta vs tors. theta energy: -82.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -961.835799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.835799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.835799 (E_RNA) where: Base-Base interactions energy: -637.046 where: short stacking energy: -285.085 Base-Backbone interact. energy: -0.244 local terms energy: -324.546028 where: bonds (distance) C4'-P energy: -65.969 bonds (distance) P-C4' energy: -64.229 flat angles C4'-P-C4' energy: -74.058 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -80.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -940.235023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.235023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.235023 (E_RNA) where: Base-Base interactions energy: -634.343 where: short stacking energy: -273.161 Base-Backbone interact. energy: -1.713 local terms energy: -304.179233 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -69.808 flat angles C4'-P-C4' energy: -62.045 flat angles P-C4'-P energy: -29.220 tors. eta vs tors. theta energy: -78.399 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: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -869.766474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.766474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.766474 (E_RNA) where: Base-Base interactions energy: -575.665 where: short stacking energy: -258.682 Base-Backbone interact. energy: -0.511 local terms energy: -293.590843 where: bonds (distance) C4'-P energy: -55.861 bonds (distance) P-C4' energy: -56.521 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -75.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -688.452851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.452851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.452851 (E_RNA) where: Base-Base interactions energy: -433.407 where: short stacking energy: -211.127 Base-Backbone interact. energy: -0.411 local terms energy: -254.635095 where: bonds (distance) C4'-P energy: -39.854 bonds (distance) P-C4' energy: -67.192 flat angles C4'-P-C4' energy: -55.399 flat angles P-C4'-P energy: -35.354 tors. eta vs tors. theta energy: -56.836 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: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -729.891722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.891722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.891722 (E_RNA) where: Base-Base interactions energy: -459.760 where: short stacking energy: -210.299 Base-Backbone interact. energy: 0.121 local terms energy: -270.252749 where: bonds (distance) C4'-P energy: -52.067 bonds (distance) P-C4' energy: -57.169 flat angles C4'-P-C4' energy: -63.605 flat angles P-C4'-P energy: -37.468 tors. eta vs tors. theta energy: -59.942 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: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -585.202511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.202511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.202511 (E_RNA) where: Base-Base interactions energy: -343.486 where: short stacking energy: -186.318 Base-Backbone interact. energy: -1.199 local terms energy: -240.517469 where: bonds (distance) C4'-P energy: -38.291 bonds (distance) P-C4' energy: -70.430 flat angles C4'-P-C4' energy: -65.666 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -36.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -316.868197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.868197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.868197 (E_RNA) where: Base-Base interactions energy: -116.237 where: short stacking energy: -100.218 Base-Backbone interact. energy: -0.973 local terms energy: -199.658853 where: bonds (distance) C4'-P energy: -52.676 bonds (distance) P-C4' energy: -61.997 flat angles C4'-P-C4' energy: -49.937 flat angles P-C4'-P energy: -27.261 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -314.319044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.319044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.319044 (E_RNA) where: Base-Base interactions energy: -153.878 where: short stacking energy: -79.248 Base-Backbone interact. energy: 1.498 local terms energy: -161.938545 where: bonds (distance) C4'-P energy: -52.268 bonds (distance) P-C4' energy: -50.305 flat angles C4'-P-C4' energy: -44.646 flat angles P-C4'-P energy: -26.444 tors. eta vs tors. theta energy: 11.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1081.891017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.891017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.891017 (E_RNA) where: Base-Base interactions energy: -740.936 where: short stacking energy: -339.284 Base-Backbone interact. energy: -0.587 local terms energy: -340.367353 where: bonds (distance) C4'-P energy: -56.313 bonds (distance) P-C4' energy: -68.084 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -94.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -995.333594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.333594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.333594 (E_RNA) where: Base-Base interactions energy: -672.889 where: short stacking energy: -294.914 Base-Backbone interact. energy: -2.471 local terms energy: -319.972932 where: bonds (distance) C4'-P energy: -62.226 bonds (distance) P-C4' energy: -64.028 flat angles C4'-P-C4' energy: -71.325 flat angles P-C4'-P energy: -49.018 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -980.810300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.810300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.810300 (E_RNA) where: Base-Base interactions energy: -659.977 where: short stacking energy: -286.914 Base-Backbone interact. energy: 2.721 local terms energy: -323.554525 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -69.203 flat angles P-C4'-P energy: -39.091 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: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -949.092478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.092478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.092478 (E_RNA) where: Base-Base interactions energy: -662.508 where: short stacking energy: -287.176 Base-Backbone interact. energy: 0.414 local terms energy: -286.998375 where: bonds (distance) C4'-P energy: -54.092 bonds (distance) P-C4' energy: -49.611 flat angles C4'-P-C4' energy: -61.206 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -72.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -871.534222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.534222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.534222 (E_RNA) where: Base-Base interactions energy: -585.036 where: short stacking energy: -258.923 Base-Backbone interact. energy: -2.363 local terms energy: -284.135242 where: bonds (distance) C4'-P energy: -55.325 bonds (distance) P-C4' energy: -54.672 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -64.893 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: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -710.953881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.953881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.953881 (E_RNA) where: Base-Base interactions energy: -447.451 where: short stacking energy: -204.060 Base-Backbone interact. energy: -0.360 local terms energy: -263.142445 where: bonds (distance) C4'-P energy: -53.638 bonds (distance) P-C4' energy: -54.523 flat angles C4'-P-C4' energy: -65.035 flat angles P-C4'-P energy: -43.836 tors. eta vs tors. theta energy: -46.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -733.539584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.539584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.539584 (E_RNA) where: Base-Base interactions energy: -469.313 where: short stacking energy: -207.866 Base-Backbone interact. energy: 0.956 local terms energy: -265.182055 where: bonds (distance) C4'-P energy: -44.773 bonds (distance) P-C4' energy: -69.103 flat angles C4'-P-C4' energy: -59.266 flat angles P-C4'-P energy: -43.543 tors. eta vs tors. theta energy: -48.498 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: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -549.017627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.017627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.017627 (E_RNA) where: Base-Base interactions energy: -306.937 where: short stacking energy: -151.767 Base-Backbone interact. energy: -2.031 local terms energy: -240.049003 where: bonds (distance) C4'-P energy: -65.977 bonds (distance) P-C4' energy: -55.783 flat angles C4'-P-C4' energy: -55.463 flat angles P-C4'-P energy: -35.074 tors. eta vs tors. theta energy: -27.752 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: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -295.936349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.936349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.936349 (E_RNA) where: Base-Base interactions energy: -110.015 where: short stacking energy: -88.792 Base-Backbone interact. energy: -0.120 local terms energy: -185.801151 where: bonds (distance) C4'-P energy: -39.293 bonds (distance) P-C4' energy: -60.849 flat angles C4'-P-C4' energy: -46.059 flat angles P-C4'-P energy: -30.617 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: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -265.002808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.002808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.002808 (E_RNA) where: Base-Base interactions energy: -89.812 where: short stacking energy: -70.618 Base-Backbone interact. energy: -0.856 local terms energy: -174.334420 where: bonds (distance) C4'-P energy: -39.963 bonds (distance) P-C4' energy: -53.276 flat angles C4'-P-C4' energy: -56.354 flat angles P-C4'-P energy: -29.618 tors. eta vs tors. theta energy: 4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1065.627557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.627557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.627557 (E_RNA) where: Base-Base interactions energy: -710.432 where: short stacking energy: -307.924 Base-Backbone interact. energy: -2.408 local terms energy: -352.788074 where: bonds (distance) C4'-P energy: -61.378 bonds (distance) P-C4' energy: -73.399 flat angles C4'-P-C4' energy: -75.350 flat angles P-C4'-P energy: -56.694 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: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1018.850256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.850256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.850256 (E_RNA) where: Base-Base interactions energy: -678.912 where: short stacking energy: -283.694 Base-Backbone interact. energy: -1.668 local terms energy: -338.270147 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -68.491 flat angles C4'-P-C4' energy: -79.289 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -79.795 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: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -953.841202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.841202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.841202 (E_RNA) where: Base-Base interactions energy: -624.903 where: short stacking energy: -267.149 Base-Backbone interact. energy: -0.836 local terms energy: -328.102635 where: bonds (distance) C4'-P energy: -62.286 bonds (distance) P-C4' energy: -56.251 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -82.365 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: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -938.754141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.754141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.754141 (E_RNA) where: Base-Base interactions energy: -634.439 where: short stacking energy: -267.379 Base-Backbone interact. energy: -1.651 local terms energy: -302.663708 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -59.246 flat angles C4'-P-C4' energy: -68.168 flat angles P-C4'-P energy: -36.693 tors. eta vs tors. theta energy: -74.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -850.131766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.131766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.131766 (E_RNA) where: Base-Base interactions energy: -573.485 where: short stacking energy: -247.294 Base-Backbone interact. energy: 1.850 local terms energy: -278.496728 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -58.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -713.327433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.327433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.327433 (E_RNA) where: Base-Base interactions energy: -448.734 where: short stacking energy: -199.157 Base-Backbone interact. energy: -0.266 local terms energy: -264.327014 where: bonds (distance) C4'-P energy: -52.934 bonds (distance) P-C4' energy: -62.976 flat angles C4'-P-C4' energy: -58.561 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -41.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -763.846664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.846664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.846664 (E_RNA) where: Base-Base interactions energy: -512.912 where: short stacking energy: -217.286 Base-Backbone interact. energy: -2.989 local terms energy: -247.945830 where: bonds (distance) C4'-P energy: -48.698 bonds (distance) P-C4' energy: -55.202 flat angles C4'-P-C4' energy: -58.802 flat angles P-C4'-P energy: -34.989 tors. eta vs tors. theta energy: -50.254 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: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -529.599262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.599262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.599262 (E_RNA) where: Base-Base interactions energy: -316.514 where: short stacking energy: -172.103 Base-Backbone interact. energy: 1.816 local terms energy: -214.901757 where: bonds (distance) C4'-P energy: -48.476 bonds (distance) P-C4' energy: -49.138 flat angles C4'-P-C4' energy: -56.877 flat angles P-C4'-P energy: -25.944 tors. eta vs tors. theta energy: -34.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -302.482566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.482566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.482566 (E_RNA) where: Base-Base interactions energy: -128.161 where: short stacking energy: -123.825 Base-Backbone interact. energy: -1.730 local terms energy: -172.591523 where: bonds (distance) C4'-P energy: -46.503 bonds (distance) P-C4' energy: -59.918 flat angles C4'-P-C4' energy: -39.129 flat angles P-C4'-P energy: -20.184 tors. eta vs tors. theta energy: -6.857 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: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -296.384796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.384796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.384796 (E_RNA) where: Base-Base interactions energy: -103.582 where: short stacking energy: -82.956 Base-Backbone interact. energy: -2.526 local terms energy: -190.276635 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -55.401 flat angles C4'-P-C4' energy: -52.500 flat angles P-C4'-P energy: -31.260 tors. eta vs tors. theta energy: 3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1042.353565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.353565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.353565 (E_RNA) where: Base-Base interactions energy: -700.141 where: short stacking energy: -309.749 Base-Backbone interact. energy: -0.065 local terms energy: -342.147953 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -72.857 flat angles C4'-P-C4' energy: -74.824 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -85.491 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: 96 Temperature: 0.950000 Total energy: -1017.400851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.400851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.400851 (E_RNA) where: Base-Base interactions energy: -679.879 where: short stacking energy: -296.652 Base-Backbone interact. energy: -2.269 local terms energy: -335.252601 where: bonds (distance) C4'-P energy: -65.413 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -70.591 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -83.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -980.688202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.688202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.688202 (E_RNA) where: Base-Base interactions energy: -665.185 where: short stacking energy: -284.554 Base-Backbone interact. energy: 0.160 local terms energy: -315.662611 where: bonds (distance) C4'-P energy: -53.473 bonds (distance) P-C4' energy: -68.136 flat angles C4'-P-C4' energy: -64.795 flat angles P-C4'-P energy: -39.784 tors. eta vs tors. theta energy: -89.475 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -953.529470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.529470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.529470 (E_RNA) where: Base-Base interactions energy: -653.986 where: short stacking energy: -289.611 Base-Backbone interact. energy: -1.582 local terms energy: -297.961504 where: bonds (distance) C4'-P energy: -55.901 bonds (distance) P-C4' energy: -53.073 flat angles C4'-P-C4' energy: -69.994 flat angles P-C4'-P energy: -34.433 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: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -904.189139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.189139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.189139 (E_RNA) where: Base-Base interactions energy: -597.080 where: short stacking energy: -278.475 Base-Backbone interact. energy: -0.451 local terms energy: -306.658655 where: bonds (distance) C4'-P energy: -59.063 bonds (distance) P-C4' energy: -66.411 flat angles C4'-P-C4' energy: -65.230 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: -81.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -723.911797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.911797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.911797 (E_RNA) where: Base-Base interactions energy: -465.343 where: short stacking energy: -204.692 Base-Backbone interact. energy: -0.749 local terms energy: -257.820170 where: bonds (distance) C4'-P energy: -44.983 bonds (distance) P-C4' energy: -59.042 flat angles C4'-P-C4' energy: -64.002 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -44.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -755.142360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.142360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.142360 (E_RNA) where: Base-Base interactions energy: -519.525 where: short stacking energy: -196.192 Base-Backbone interact. energy: -1.676 local terms energy: -233.940909 where: bonds (distance) C4'-P energy: -42.719 bonds (distance) P-C4' energy: -54.295 flat angles C4'-P-C4' energy: -57.097 flat angles P-C4'-P energy: -36.764 tors. eta vs tors. theta energy: -43.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -537.978006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.978006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.978006 (E_RNA) where: Base-Base interactions energy: -295.856 where: short stacking energy: -157.510 Base-Backbone interact. energy: -0.430 local terms energy: -241.691877 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -55.004 flat angles C4'-P-C4' energy: -56.322 flat angles P-C4'-P energy: -35.397 tors. eta vs tors. theta energy: -36.190 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: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -294.448952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.448952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.448952 (E_RNA) where: Base-Base interactions energy: -107.345 where: short stacking energy: -99.942 Base-Backbone interact. energy: -1.371 local terms energy: -185.732986 where: bonds (distance) C4'-P energy: -59.716 bonds (distance) P-C4' energy: -51.822 flat angles C4'-P-C4' energy: -50.335 flat angles P-C4'-P energy: -24.967 tors. eta vs tors. theta energy: 1.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -308.781716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.781716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.781716 (E_RNA) where: Base-Base interactions energy: -140.729 where: short stacking energy: -86.589 Base-Backbone interact. energy: -1.482 local terms energy: -166.570681 where: bonds (distance) C4'-P energy: -47.809 bonds (distance) P-C4' energy: -45.197 flat angles C4'-P-C4' energy: -47.186 flat angles P-C4'-P energy: -15.288 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: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1036.297669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.297669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.297669 (E_RNA) where: Base-Base interactions energy: -704.300 where: short stacking energy: -313.754 Base-Backbone interact. energy: -0.379 local terms energy: -331.618862 where: bonds (distance) C4'-P energy: -67.325 bonds (distance) P-C4' energy: -61.405 flat angles C4'-P-C4' energy: -67.752 flat angles P-C4'-P energy: -47.706 tors. eta vs tors. theta energy: -87.432 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: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1017.886302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.886302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.886302 (E_RNA) where: Base-Base interactions energy: -692.573 where: short stacking energy: -302.991 Base-Backbone interact. energy: 0.958 local terms energy: -326.271500 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -61.998 flat angles C4'-P-C4' energy: -66.874 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -85.717 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: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -981.661562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.661562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.661562 (E_RNA) where: Base-Base interactions energy: -660.209 where: short stacking energy: -299.372 Base-Backbone interact. energy: -1.904 local terms energy: -319.548177 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -66.420 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -44.054 tors. eta vs tors. theta energy: -87.120 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: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -929.562031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.562031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.562031 (E_RNA) where: Base-Base interactions energy: -617.810 where: short stacking energy: -284.413 Base-Backbone interact. energy: -0.434 local terms energy: -311.317496 where: bonds (distance) C4'-P energy: -62.018 bonds (distance) P-C4' energy: -62.263 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -78.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -882.751576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.751576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.751576 (E_RNA) where: Base-Base interactions energy: -597.536 where: short stacking energy: -286.009 Base-Backbone interact. energy: -1.343 local terms energy: -283.872864 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -46.239 flat angles C4'-P-C4' energy: -66.366 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -71.270 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: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -760.639653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.639653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.639653 (E_RNA) where: Base-Base interactions energy: -505.856 where: short stacking energy: -225.243 Base-Backbone interact. energy: -0.874 local terms energy: -253.909118 where: bonds (distance) C4'-P energy: -57.177 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -50.849 flat angles P-C4'-P energy: -39.298 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: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -636.907856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.907856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.907856 (E_RNA) where: Base-Base interactions energy: -393.330 where: short stacking energy: -197.932 Base-Backbone interact. energy: -1.596 local terms energy: -241.981950 where: bonds (distance) C4'-P energy: -48.852 bonds (distance) P-C4' energy: -43.851 flat angles C4'-P-C4' energy: -49.825 flat angles P-C4'-P energy: -40.920 tors. eta vs tors. theta energy: -58.534 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: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -539.637951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.637951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.637951 (E_RNA) where: Base-Base interactions energy: -286.063 where: short stacking energy: -169.125 Base-Backbone interact. energy: -0.540 local terms energy: -253.034934 where: bonds (distance) C4'-P energy: -59.369 bonds (distance) P-C4' energy: -61.632 flat angles C4'-P-C4' energy: -50.007 flat angles P-C4'-P energy: -47.048 tors. eta vs tors. theta energy: -34.979 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: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -320.313926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.313926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.313926 (E_RNA) where: Base-Base interactions energy: -134.535 where: short stacking energy: -111.484 Base-Backbone interact. energy: -0.714 local terms energy: -185.065024 where: bonds (distance) C4'-P energy: -47.511 bonds (distance) P-C4' energy: -49.045 flat angles C4'-P-C4' energy: -47.674 flat angles P-C4'-P energy: -32.874 tors. eta vs tors. theta energy: -7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -278.637273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.637273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.637273 (E_RNA) where: Base-Base interactions energy: -114.241 where: short stacking energy: -89.792 Base-Backbone interact. energy: -0.364 local terms energy: -164.032057 where: bonds (distance) C4'-P energy: -50.492 bonds (distance) P-C4' energy: -44.717 flat angles C4'-P-C4' energy: -50.521 flat angles P-C4'-P energy: -27.471 tors. eta vs tors. theta energy: 9.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1065.609909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.609909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.609909 (E_RNA) where: Base-Base interactions energy: -718.071 where: short stacking energy: -308.585 Base-Backbone interact. energy: -2.547 local terms energy: -344.991893 where: bonds (distance) C4'-P energy: -67.203 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -80.709 flat angles P-C4'-P energy: -40.387 tors. eta vs tors. theta energy: -93.015 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: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1042.337259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.337259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.337259 (E_RNA) where: Base-Base interactions energy: -700.604 where: short stacking energy: -302.601 Base-Backbone interact. energy: -0.879 local terms energy: -340.854514 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -41.849 tors. eta vs tors. theta energy: -92.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -952.845366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.845366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.845366 (E_RNA) where: Base-Base interactions energy: -628.651 where: short stacking energy: -277.882 Base-Backbone interact. energy: -1.389 local terms energy: -322.805494 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -67.135 flat angles C4'-P-C4' energy: -61.643 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -911.074140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.074140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.074140 (E_RNA) where: Base-Base interactions energy: -594.058 where: short stacking energy: -256.595 Base-Backbone interact. energy: -3.360 local terms energy: -313.655562 where: bonds (distance) C4'-P energy: -65.404 bonds (distance) P-C4' energy: -58.848 flat angles C4'-P-C4' energy: -62.886 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -76.726 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: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -849.366656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.366656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.366656 (E_RNA) where: Base-Base interactions energy: -558.415 where: short stacking energy: -248.957 Base-Backbone interact. energy: 2.158 local terms energy: -293.109697 where: bonds (distance) C4'-P energy: -55.531 bonds (distance) P-C4' energy: -57.965 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -59.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -767.937085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.937085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.937085 (E_RNA) where: Base-Base interactions energy: -500.956 where: short stacking energy: -212.320 Base-Backbone interact. energy: -1.137 local terms energy: -265.844047 where: bonds (distance) C4'-P energy: -55.075 bonds (distance) P-C4' energy: -69.775 flat angles C4'-P-C4' energy: -58.194 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -50.147 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -597.722758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.722758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.722758 (E_RNA) where: Base-Base interactions energy: -376.475 where: short stacking energy: -164.633 Base-Backbone interact. energy: -1.204 local terms energy: -220.043280 where: bonds (distance) C4'-P energy: -52.110 bonds (distance) P-C4' energy: -64.761 flat angles C4'-P-C4' energy: -47.229 flat angles P-C4'-P energy: -24.530 tors. eta vs tors. theta energy: -31.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -513.109845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.109845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.109845 (E_RNA) where: Base-Base interactions energy: -301.508 where: short stacking energy: -150.900 Base-Backbone interact. energy: 8.904 local terms energy: -220.505788 where: bonds (distance) C4'-P energy: -53.257 bonds (distance) P-C4' energy: -63.717 flat angles C4'-P-C4' energy: -52.216 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: -19.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -316.535420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.535420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.535420 (E_RNA) where: Base-Base interactions energy: -141.418 where: short stacking energy: -109.922 Base-Backbone interact. energy: -0.642 local terms energy: -174.475649 where: bonds (distance) C4'-P energy: -43.697 bonds (distance) P-C4' energy: -53.973 flat angles C4'-P-C4' energy: -46.557 flat angles P-C4'-P energy: -26.494 tors. eta vs tors. theta energy: -3.755 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: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -290.082330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.082330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.082330 (E_RNA) where: Base-Base interactions energy: -115.415 where: short stacking energy: -82.369 Base-Backbone interact. energy: 0.400 local terms energy: -175.067190 where: bonds (distance) C4'-P energy: -39.863 bonds (distance) P-C4' energy: -50.253 flat angles C4'-P-C4' energy: -52.369 flat angles P-C4'-P energy: -33.718 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1061.375062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.375062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.375062 (E_RNA) where: Base-Base interactions energy: -707.466 where: short stacking energy: -324.998 Base-Backbone interact. energy: -2.840 local terms energy: -351.069298 where: bonds (distance) C4'-P energy: -67.810 bonds (distance) P-C4' energy: -60.910 flat angles C4'-P-C4' energy: -71.262 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: -99.194 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: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -990.912191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.912191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.912191 (E_RNA) where: Base-Base interactions energy: -662.914 where: short stacking energy: -289.473 Base-Backbone interact. energy: -1.031 local terms energy: -326.966528 where: bonds (distance) C4'-P energy: -69.723 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -76.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -976.333973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.333973 (E_RNA) where: Base-Base interactions energy: -652.688 where: short stacking energy: -287.327 Base-Backbone interact. energy: -1.179 local terms energy: -322.466972 where: bonds (distance) C4'-P energy: -60.127 bonds (distance) P-C4' energy: -64.829 flat angles C4'-P-C4' energy: -61.331 flat angles P-C4'-P energy: -45.644 tors. eta vs tors. theta energy: -90.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -923.752717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.752717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.752717 (E_RNA) where: Base-Base interactions energy: -598.368 where: short stacking energy: -283.330 Base-Backbone interact. energy: -0.628 local terms energy: -324.757027 where: bonds (distance) C4'-P energy: -67.692 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -68.736 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -84.242 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: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -870.461940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.461940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.461940 (E_RNA) where: Base-Base interactions energy: -574.490 where: short stacking energy: -247.072 Base-Backbone interact. energy: -2.848 local terms energy: -293.123881 where: bonds (distance) C4'-P energy: -58.153 bonds (distance) P-C4' energy: -71.174 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -33.919 tors. eta vs tors. theta energy: -61.049 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: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -760.871274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.871274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.871274 (E_RNA) where: Base-Base interactions energy: -516.343 where: short stacking energy: -228.963 Base-Backbone interact. energy: 2.816 local terms energy: -247.345078 where: bonds (distance) C4'-P energy: -49.826 bonds (distance) P-C4' energy: -53.655 flat angles C4'-P-C4' energy: -58.791 flat angles P-C4'-P energy: -38.852 tors. eta vs tors. theta energy: -46.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -576.992542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.992542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.992542 (E_RNA) where: Base-Base interactions energy: -355.606 where: short stacking energy: -166.935 Base-Backbone interact. energy: -2.001 local terms energy: -219.386359 where: bonds (distance) C4'-P energy: -46.558 bonds (distance) P-C4' energy: -59.867 flat angles C4'-P-C4' energy: -42.087 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -31.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -483.726459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.726459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.726459 (E_RNA) where: Base-Base interactions energy: -269.685 where: short stacking energy: -152.703 Base-Backbone interact. energy: 0.889 local terms energy: -214.931102 where: bonds (distance) C4'-P energy: -45.402 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -53.197 flat angles P-C4'-P energy: -29.033 tors. eta vs tors. theta energy: -24.901 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: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -297.849505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.849505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.849505 (E_RNA) where: Base-Base interactions energy: -116.393 where: short stacking energy: -97.423 Base-Backbone interact. energy: 0.170 local terms energy: -181.626489 where: bonds (distance) C4'-P energy: -49.768 bonds (distance) P-C4' energy: -43.766 flat angles C4'-P-C4' energy: -49.857 flat angles P-C4'-P energy: -35.560 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -293.081961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.081961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.081961 (E_RNA) where: Base-Base interactions energy: -114.714 where: short stacking energy: -88.248 Base-Backbone interact. energy: -1.198 local terms energy: -177.169035 where: bonds (distance) C4'-P energy: -56.117 bonds (distance) P-C4' energy: -56.229 flat angles C4'-P-C4' energy: -42.293 flat angles P-C4'-P energy: -27.636 tors. eta vs tors. theta energy: 5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1052.790868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.790868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.790868 (E_RNA) where: Base-Base interactions energy: -703.384 where: short stacking energy: -317.068 Base-Backbone interact. energy: -1.334 local terms energy: -348.072716 where: bonds (distance) C4'-P energy: -61.347 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -53.763 tors. eta vs tors. theta energy: -100.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -986.923816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.923816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.923816 (E_RNA) where: Base-Base interactions energy: -659.581 where: short stacking energy: -285.957 Base-Backbone interact. energy: 0.254 local terms energy: -327.596472 where: bonds (distance) C4'-P energy: -67.676 bonds (distance) P-C4' energy: -67.008 flat angles C4'-P-C4' energy: -63.856 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -73.647 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: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -960.882924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.882924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.882924 (E_RNA) where: Base-Base interactions energy: -644.193 where: short stacking energy: -275.803 Base-Backbone interact. energy: -3.366 local terms energy: -313.323918 where: bonds (distance) C4'-P energy: -61.514 bonds (distance) P-C4' energy: -65.078 flat angles C4'-P-C4' energy: -62.555 flat angles P-C4'-P energy: -45.190 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: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -957.156872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.156872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.156872 (E_RNA) where: Base-Base interactions energy: -647.945 where: short stacking energy: -285.952 Base-Backbone interact. energy: -2.811 local terms energy: -306.401269 where: bonds (distance) C4'-P energy: -58.379 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -68.572 flat angles P-C4'-P energy: -42.409 tors. eta vs tors. theta energy: -76.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -788.221134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.221134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.221134 (E_RNA) where: Base-Base interactions energy: -510.517 where: short stacking energy: -216.904 Base-Backbone interact. energy: -2.290 local terms energy: -275.413574 where: bonds (distance) C4'-P energy: -55.987 bonds (distance) P-C4' energy: -64.783 flat angles C4'-P-C4' energy: -60.675 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -50.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -853.291334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.291334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.291334 (E_RNA) where: Base-Base interactions energy: -571.558 where: short stacking energy: -241.834 Base-Backbone interact. energy: -0.388 local terms energy: -281.344833 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -51.070 flat angles C4'-P-C4' energy: -59.805 flat angles P-C4'-P energy: -42.257 tors. eta vs tors. theta energy: -69.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -608.682365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.682365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.682365 (E_RNA) where: Base-Base interactions energy: -355.392 where: short stacking energy: -188.757 Base-Backbone interact. energy: -0.444 local terms energy: -252.846650 where: bonds (distance) C4'-P energy: -51.038 bonds (distance) P-C4' energy: -53.819 flat angles C4'-P-C4' energy: -55.810 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -44.882 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: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -474.543579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.543579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.543579 (E_RNA) where: Base-Base interactions energy: -260.936 where: short stacking energy: -150.739 Base-Backbone interact. energy: -0.557 local terms energy: -213.050623 where: bonds (distance) C4'-P energy: -61.019 bonds (distance) P-C4' energy: -49.229 flat angles C4'-P-C4' energy: -42.945 flat angles P-C4'-P energy: -38.401 tors. eta vs tors. theta energy: -21.456 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -297.744466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.744466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.744466 (E_RNA) where: Base-Base interactions energy: -128.029 where: short stacking energy: -94.175 Base-Backbone interact. energy: -1.253 local terms energy: -168.462863 where: bonds (distance) C4'-P energy: -53.882 bonds (distance) P-C4' energy: -37.376 flat angles C4'-P-C4' energy: -54.586 flat angles P-C4'-P energy: -26.632 tors. eta vs tors. theta energy: 4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -268.537742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.537742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.537742 (E_RNA) where: Base-Base interactions energy: -79.655 where: short stacking energy: -64.200 Base-Backbone interact. energy: -0.218 local terms energy: -188.664418 where: bonds (distance) C4'-P energy: -55.913 bonds (distance) P-C4' energy: -64.157 flat angles C4'-P-C4' energy: -40.765 flat angles P-C4'-P energy: -30.571 tors. eta vs tors. theta energy: 2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1067.971389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.971389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.971389 (E_RNA) where: Base-Base interactions energy: -732.896 where: short stacking energy: -328.622 Base-Backbone interact. energy: -1.185 local terms energy: -333.890052 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -57.675 flat angles C4'-P-C4' energy: -74.709 flat angles P-C4'-P energy: -50.230 tors. eta vs tors. theta energy: -85.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -990.166762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.166762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.166762 (E_RNA) where: Base-Base interactions energy: -667.720 where: short stacking energy: -306.605 Base-Backbone interact. energy: -0.967 local terms energy: -321.479049 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -62.711 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -87.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -961.416449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.416449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.416449 (E_RNA) where: Base-Base interactions energy: -645.588 where: short stacking energy: -279.540 Base-Backbone interact. energy: -1.011 local terms energy: -314.817473 where: bonds (distance) C4'-P energy: -61.054 bonds (distance) P-C4' energy: -61.582 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -44.496 tors. eta vs tors. theta energy: -82.700 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: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -906.142780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.142780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.142780 (E_RNA) where: Base-Base interactions energy: -620.462 where: short stacking energy: -280.612 Base-Backbone interact. energy: -0.519 local terms energy: -285.161945 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -67.185 flat angles C4'-P-C4' energy: -48.850 flat angles P-C4'-P energy: -38.156 tors. eta vs tors. theta energy: -75.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -808.005508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.005508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.005508 (E_RNA) where: Base-Base interactions energy: -535.914 where: short stacking energy: -214.572 Base-Backbone interact. energy: -0.026 local terms energy: -272.065433 where: bonds (distance) C4'-P energy: -51.024 bonds (distance) P-C4' energy: -63.813 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: -46.783 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: 101 Temperature: 1.150000 Total energy: -794.136029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.136029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.136029 (E_RNA) where: Base-Base interactions energy: -515.589 where: short stacking energy: -231.419 Base-Backbone interact. energy: -2.639 local terms energy: -275.907562 where: bonds (distance) C4'-P energy: -51.584 bonds (distance) P-C4' energy: -55.803 flat angles C4'-P-C4' energy: -66.393 flat angles P-C4'-P energy: -44.746 tors. eta vs tors. theta energy: -57.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -564.984817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.984817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.984817 (E_RNA) where: Base-Base interactions energy: -334.193 where: short stacking energy: -174.342 Base-Backbone interact. energy: -0.354 local terms energy: -230.437981 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -42.163 flat angles C4'-P-C4' energy: -53.328 flat angles P-C4'-P energy: -36.861 tors. eta vs tors. theta energy: -36.043 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -446.905693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.905693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.905693 (E_RNA) where: Base-Base interactions energy: -226.528 where: short stacking energy: -151.193 Base-Backbone interact. energy: -0.277 local terms energy: -220.100433 where: bonds (distance) C4'-P energy: -53.035 bonds (distance) P-C4' energy: -57.129 flat angles C4'-P-C4' energy: -54.718 flat angles P-C4'-P energy: -35.690 tors. eta vs tors. theta energy: -19.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -292.694983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.694983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.694983 (E_RNA) where: Base-Base interactions energy: -115.671 where: short stacking energy: -90.436 Base-Backbone interact. energy: 0.006 local terms energy: -177.030143 where: bonds (distance) C4'-P energy: -52.901 bonds (distance) P-C4' energy: -52.679 flat angles C4'-P-C4' energy: -44.940 flat angles P-C4'-P energy: -28.367 tors. eta vs tors. theta energy: 1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -293.672226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.672226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.672226 (E_RNA) where: Base-Base interactions energy: -107.989 where: short stacking energy: -79.259 Base-Backbone interact. energy: -1.321 local terms energy: -184.362228 where: bonds (distance) C4'-P energy: -46.726 bonds (distance) P-C4' energy: -61.224 flat angles C4'-P-C4' energy: -48.401 flat angles P-C4'-P energy: -35.038 tors. eta vs tors. theta energy: 7.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1069.514157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.514157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.514157 (E_RNA) where: Base-Base interactions energy: -733.798 where: short stacking energy: -325.922 Base-Backbone interact. energy: -1.204 local terms energy: -334.511267 where: bonds (distance) C4'-P energy: -64.208 bonds (distance) P-C4' energy: -64.741 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -39.656 tors. eta vs tors. theta energy: -90.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -991.512485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.512485 (E_RNA) where: Base-Base interactions energy: -657.734 where: short stacking energy: -315.539 Base-Backbone interact. energy: 0.176 local terms energy: -333.954603 where: bonds (distance) C4'-P energy: -64.398 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -68.485 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -81.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -968.526506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.526506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.526506 (E_RNA) where: Base-Base interactions energy: -652.674 where: short stacking energy: -296.235 Base-Backbone interact. energy: -1.122 local terms energy: -314.730893 where: bonds (distance) C4'-P energy: -58.946 bonds (distance) P-C4' energy: -67.271 flat angles C4'-P-C4' energy: -60.613 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -83.875 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: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -956.571497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.571497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.571497 (E_RNA) where: Base-Base interactions energy: -670.752 where: short stacking energy: -284.316 Base-Backbone interact. energy: -1.551 local terms energy: -284.269138 where: bonds (distance) C4'-P energy: -61.640 bonds (distance) P-C4' energy: -48.788 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -31.988 tors. eta vs tors. theta energy: -77.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -868.429323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.429323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.429323 (E_RNA) where: Base-Base interactions energy: -583.675 where: short stacking energy: -261.265 Base-Backbone interact. energy: -1.480 local terms energy: -283.273788 where: bonds (distance) C4'-P energy: -53.694 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -70.333 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -67.079 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -783.563160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.563160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.563160 (E_RNA) where: Base-Base interactions energy: -533.239 where: short stacking energy: -221.200 Base-Backbone interact. energy: -0.310 local terms energy: -250.014529 where: bonds (distance) C4'-P energy: -51.613 bonds (distance) P-C4' energy: -57.839 flat angles C4'-P-C4' energy: -65.201 flat angles P-C4'-P energy: -29.849 tors. eta vs tors. theta energy: -45.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -514.480169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.480169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.480169 (E_RNA) where: Base-Base interactions energy: -300.256 where: short stacking energy: -166.119 Base-Backbone interact. energy: -1.267 local terms energy: -212.957256 where: bonds (distance) C4'-P energy: -49.147 bonds (distance) P-C4' energy: -50.988 flat angles C4'-P-C4' energy: -48.602 flat angles P-C4'-P energy: -32.689 tors. eta vs tors. theta energy: -31.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -423.484455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.484455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.484455 (E_RNA) where: Base-Base interactions energy: -221.023 where: short stacking energy: -127.307 Base-Backbone interact. energy: 0.943 local terms energy: -203.403914 where: bonds (distance) C4'-P energy: -53.186 bonds (distance) P-C4' energy: -63.010 flat angles C4'-P-C4' energy: -41.944 flat angles P-C4'-P energy: -22.648 tors. eta vs tors. theta energy: -22.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -350.927365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.927365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.927365 (E_RNA) where: Base-Base interactions energy: -155.279 where: short stacking energy: -112.300 Base-Backbone interact. energy: -2.114 local terms energy: -193.533570 where: bonds (distance) C4'-P energy: -53.008 bonds (distance) P-C4' energy: -59.565 flat angles C4'-P-C4' energy: -54.244 flat angles P-C4'-P energy: -25.184 tors. eta vs tors. theta energy: -1.533 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: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -278.059591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.059591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.059591 (E_RNA) where: Base-Base interactions energy: -94.873 where: short stacking energy: -68.417 Base-Backbone interact. energy: 0.751 local terms energy: -183.937270 where: bonds (distance) C4'-P energy: -50.068 bonds (distance) P-C4' energy: -56.285 flat angles C4'-P-C4' energy: -43.377 flat angles P-C4'-P energy: -33.413 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1074.420007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.420007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.420007 (E_RNA) where: Base-Base interactions energy: -720.842 where: short stacking energy: -304.279 Base-Backbone interact. energy: -2.115 local terms energy: -351.463797 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -69.138 flat angles C4'-P-C4' energy: -70.633 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: -97.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -991.291713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.291713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.291713 (E_RNA) where: Base-Base interactions energy: -667.241 where: short stacking energy: -290.830 Base-Backbone interact. energy: 0.027 local terms energy: -324.077889 where: bonds (distance) C4'-P energy: -69.191 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -67.760 flat angles P-C4'-P energy: -42.129 tors. eta vs tors. theta energy: -77.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -983.377383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.377383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.377383 (E_RNA) where: Base-Base interactions energy: -668.157 where: short stacking energy: -287.539 Base-Backbone interact. energy: -1.494 local terms energy: -313.726771 where: bonds (distance) C4'-P energy: -66.338 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -65.293 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -85.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -955.546185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.546185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.546185 (E_RNA) where: Base-Base interactions energy: -632.809 where: short stacking energy: -276.840 Base-Backbone interact. energy: -1.184 local terms energy: -321.553282 where: bonds (distance) C4'-P energy: -62.114 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -67.176 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: -84.118 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: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -876.071791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.071791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.071791 (E_RNA) where: Base-Base interactions energy: -578.616 where: short stacking energy: -256.425 Base-Backbone interact. energy: -1.086 local terms energy: -296.369486 where: bonds (distance) C4'-P energy: -60.507 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -58.517 flat angles P-C4'-P energy: -35.211 tors. eta vs tors. theta energy: -82.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -737.791028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.791028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.791028 (E_RNA) where: Base-Base interactions energy: -493.172 where: short stacking energy: -219.609 Base-Backbone interact. energy: -1.940 local terms energy: -242.679235 where: bonds (distance) C4'-P energy: -47.829 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -48.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -506.909745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.909745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.909745 (E_RNA) where: Base-Base interactions energy: -290.387 where: short stacking energy: -165.871 Base-Backbone interact. energy: 0.302 local terms energy: -216.824608 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -55.979 flat angles C4'-P-C4' energy: -47.550 flat angles P-C4'-P energy: -32.365 tors. eta vs tors. theta energy: -24.047 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -428.231977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.231977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.231977 (E_RNA) where: Base-Base interactions energy: -201.527 where: short stacking energy: -129.240 Base-Backbone interact. energy: -1.108 local terms energy: -225.597618 where: bonds (distance) C4'-P energy: -38.210 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -52.965 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: -22.324 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: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -329.415265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.415265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.415265 (E_RNA) where: Base-Base interactions energy: -144.619 where: short stacking energy: -94.846 Base-Backbone interact. energy: 0.314 local terms energy: -185.110083 where: bonds (distance) C4'-P energy: -41.822 bonds (distance) P-C4' energy: -52.984 flat angles C4'-P-C4' energy: -47.723 flat angles P-C4'-P energy: -36.884 tors. eta vs tors. theta energy: -5.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -308.304475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.304475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.304475 (E_RNA) where: Base-Base interactions energy: -115.321 where: short stacking energy: -72.064 Base-Backbone interact. energy: -0.049 local terms energy: -192.934787 where: bonds (distance) C4'-P energy: -59.305 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -38.750 flat angles P-C4'-P energy: -30.089 tors. eta vs tors. theta energy: 2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1056.975962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.975962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.975962 (E_RNA) where: Base-Base interactions energy: -713.521 where: short stacking energy: -320.116 Base-Backbone interact. energy: 2.257 local terms energy: -345.711507 where: bonds (distance) C4'-P energy: -60.748 bonds (distance) P-C4' energy: -73.689 flat angles C4'-P-C4' energy: -68.155 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -90.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1005.441867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.441867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.441867 (E_RNA) where: Base-Base interactions energy: -684.604 where: short stacking energy: -297.909 Base-Backbone interact. energy: -2.105 local terms energy: -318.733122 where: bonds (distance) C4'-P energy: -64.625 bonds (distance) P-C4' energy: -58.712 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -36.681 tors. eta vs tors. theta energy: -79.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -988.161129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.161129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.161129 (E_RNA) where: Base-Base interactions energy: -661.898 where: short stacking energy: -301.199 Base-Backbone interact. energy: -0.841 local terms energy: -325.422100 where: bonds (distance) C4'-P energy: -63.606 bonds (distance) P-C4' energy: -54.282 flat angles C4'-P-C4' energy: -66.046 flat angles P-C4'-P energy: -53.902 tors. eta vs tors. theta energy: -87.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -949.419744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.419744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.419744 (E_RNA) where: Base-Base interactions energy: -637.783 where: short stacking energy: -289.047 Base-Backbone interact. energy: 3.802 local terms energy: -315.438712 where: bonds (distance) C4'-P energy: -64.739 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -39.135 tors. eta vs tors. theta energy: -87.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -906.416906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.416906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.416906 (E_RNA) where: Base-Base interactions energy: -606.814 where: short stacking energy: -265.761 Base-Backbone interact. energy: -0.590 local terms energy: -299.013117 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -60.618 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -38.222 tors. eta vs tors. theta energy: -71.045 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: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -807.040689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.040689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.040689 (E_RNA) where: Base-Base interactions energy: -548.665 where: short stacking energy: -231.036 Base-Backbone interact. energy: -1.055 local terms energy: -257.320072 where: bonds (distance) C4'-P energy: -42.337 bonds (distance) P-C4' energy: -57.751 flat angles C4'-P-C4' energy: -60.266 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -52.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -570.439447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.439447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.439447 (E_RNA) where: Base-Base interactions energy: -328.498 where: short stacking energy: -174.471 Base-Backbone interact. energy: -1.140 local terms energy: -240.801168 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -53.895 flat angles P-C4'-P energy: -33.846 tors. eta vs tors. theta energy: -30.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -428.309887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.309887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.309887 (E_RNA) where: Base-Base interactions energy: -216.781 where: short stacking energy: -135.200 Base-Backbone interact. energy: -0.689 local terms energy: -210.839960 where: bonds (distance) C4'-P energy: -56.016 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -55.915 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -15.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -291.202581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.202581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.202581 (E_RNA) where: Base-Base interactions energy: -122.730 where: short stacking energy: -87.172 Base-Backbone interact. energy: -1.754 local terms energy: -166.718743 where: bonds (distance) C4'-P energy: -55.821 bonds (distance) P-C4' energy: -65.623 flat angles C4'-P-C4' energy: -24.903 flat angles P-C4'-P energy: -25.814 tors. eta vs tors. theta energy: 5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -299.832159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.832159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.832159 (E_RNA) where: Base-Base interactions energy: -136.796 where: short stacking energy: -86.562 Base-Backbone interact. energy: 2.543 local terms energy: -165.579989 where: bonds (distance) C4'-P energy: -31.645 bonds (distance) P-C4' energy: -54.781 flat angles C4'-P-C4' energy: -47.950 flat angles P-C4'-P energy: -32.103 tors. eta vs tors. theta energy: 0.898 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: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1067.365712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.365712 (E_RNA) where: Base-Base interactions energy: -717.279 where: short stacking energy: -316.728 Base-Backbone interact. energy: -1.648 local terms energy: -348.438980 where: bonds (distance) C4'-P energy: -67.336 bonds (distance) P-C4' energy: -63.674 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -92.786 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -998.533492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.533492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.533492 (E_RNA) where: Base-Base interactions energy: -664.100 where: short stacking energy: -279.200 Base-Backbone interact. energy: -1.156 local terms energy: -333.277129 where: bonds (distance) C4'-P energy: -60.751 bonds (distance) P-C4' energy: -60.579 flat angles C4'-P-C4' energy: -75.952 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -83.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -991.618563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.618563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.618563 (E_RNA) where: Base-Base interactions energy: -684.061 where: short stacking energy: -283.339 Base-Backbone interact. energy: -2.323 local terms energy: -305.234425 where: bonds (distance) C4'-P energy: -63.556 bonds (distance) P-C4' energy: -56.701 flat angles C4'-P-C4' energy: -61.471 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -81.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -915.952162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.952162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.952162 (E_RNA) where: Base-Base interactions energy: -633.993 where: short stacking energy: -274.063 Base-Backbone interact. energy: -0.773 local terms energy: -281.185508 where: bonds (distance) C4'-P energy: -58.233 bonds (distance) P-C4' energy: -44.603 flat angles C4'-P-C4' energy: -72.611 flat angles P-C4'-P energy: -32.691 tors. eta vs tors. theta energy: -73.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -870.895822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.895822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.895822 (E_RNA) where: Base-Base interactions energy: -573.283 where: short stacking energy: -262.289 Base-Backbone interact. energy: -0.615 local terms energy: -296.997962 where: bonds (distance) C4'-P energy: -51.416 bonds (distance) P-C4' energy: -60.107 flat angles C4'-P-C4' energy: -62.737 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: -78.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -853.422558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.422558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.422558 (E_RNA) where: Base-Base interactions energy: -571.142 where: short stacking energy: -247.884 Base-Backbone interact. energy: -1.759 local terms energy: -280.521223 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -57.855 flat angles C4'-P-C4' energy: -55.597 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -58.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -546.231944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.231944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.231944 (E_RNA) where: Base-Base interactions energy: -327.968 where: short stacking energy: -150.954 Base-Backbone interact. energy: -0.873 local terms energy: -217.391280 where: bonds (distance) C4'-P energy: -50.321 bonds (distance) P-C4' energy: -46.447 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -19.642 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: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -420.488519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.488519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.488519 (E_RNA) where: Base-Base interactions energy: -191.474 where: short stacking energy: -133.781 Base-Backbone interact. energy: -2.328 local terms energy: -226.686393 where: bonds (distance) C4'-P energy: -62.999 bonds (distance) P-C4' energy: -69.446 flat angles C4'-P-C4' energy: -51.462 flat angles P-C4'-P energy: -31.118 tors. eta vs tors. theta energy: -11.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -300.703020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.703020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.703020 (E_RNA) where: Base-Base interactions energy: -115.053 where: short stacking energy: -83.218 Base-Backbone interact. energy: -0.563 local terms energy: -185.086649 where: bonds (distance) C4'-P energy: -46.864 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -57.576 flat angles P-C4'-P energy: -25.790 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -351.753335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.753335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.753335 (E_RNA) where: Base-Base interactions energy: -181.449 where: short stacking energy: -98.370 Base-Backbone interact. energy: -0.356 local terms energy: -169.948553 where: bonds (distance) C4'-P energy: -46.397 bonds (distance) P-C4' energy: -61.848 flat angles C4'-P-C4' energy: -58.376 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1074.234184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.234184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.234184 (E_RNA) where: Base-Base interactions energy: -731.452 where: short stacking energy: -327.572 Base-Backbone interact. energy: -1.490 local terms energy: -341.292295 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -64.734 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -39.544 tors. eta vs tors. theta energy: -95.237 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: 106 Temperature: 0.950000 Total energy: -992.668858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.668858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.668858 (E_RNA) where: Base-Base interactions energy: -669.015 where: short stacking energy: -287.874 Base-Backbone interact. energy: -2.128 local terms energy: -321.525419 where: bonds (distance) C4'-P energy: -68.614 bonds (distance) P-C4' energy: -52.986 flat angles C4'-P-C4' energy: -69.152 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -79.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -985.409857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.409857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.409857 (E_RNA) where: Base-Base interactions energy: -673.694 where: short stacking energy: -303.440 Base-Backbone interact. energy: -0.207 local terms energy: -311.508903 where: bonds (distance) C4'-P energy: -57.040 bonds (distance) P-C4' energy: -62.294 flat angles C4'-P-C4' energy: -69.141 flat angles P-C4'-P energy: -44.364 tors. eta vs tors. theta energy: -78.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -895.033045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.033045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.033045 (E_RNA) where: Base-Base interactions energy: -595.814 where: short stacking energy: -258.327 Base-Backbone interact. energy: -0.649 local terms energy: -298.569432 where: bonds (distance) C4'-P energy: -50.908 bonds (distance) P-C4' energy: -54.917 flat angles C4'-P-C4' energy: -73.435 flat angles P-C4'-P energy: -44.811 tors. eta vs tors. theta energy: -74.498 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: 106 Temperature: 1.100000 Total energy: -883.955803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.955803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.955803 (E_RNA) where: Base-Base interactions energy: -603.952 where: short stacking energy: -231.836 Base-Backbone interact. energy: -1.645 local terms energy: -278.359479 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -63.285 flat angles P-C4'-P energy: -32.252 tors. eta vs tors. theta energy: -59.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -811.694133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.694133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.694133 (E_RNA) where: Base-Base interactions energy: -542.808 where: short stacking energy: -230.583 Base-Backbone interact. energy: -1.341 local terms energy: -267.545677 where: bonds (distance) C4'-P energy: -62.705 bonds (distance) P-C4' energy: -53.184 flat angles C4'-P-C4' energy: -58.691 flat angles P-C4'-P energy: -33.492 tors. eta vs tors. theta energy: -59.473 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -552.701606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.701606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.701606 (E_RNA) where: Base-Base interactions energy: -318.918 where: short stacking energy: -176.792 Base-Backbone interact. energy: -1.172 local terms energy: -232.612118 where: bonds (distance) C4'-P energy: -46.162 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -54.499 flat angles P-C4'-P energy: -42.646 tors. eta vs tors. theta energy: -38.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -397.049998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.049998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.049998 (E_RNA) where: Base-Base interactions energy: -201.944 where: short stacking energy: -126.903 Base-Backbone interact. energy: -0.320 local terms energy: -194.786187 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -42.881 flat angles P-C4'-P energy: -27.613 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -307.850266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.850266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.850266 (E_RNA) where: Base-Base interactions energy: -129.102 where: short stacking energy: -85.069 Base-Backbone interact. energy: -1.718 local terms energy: -177.030830 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -60.040 flat angles C4'-P-C4' energy: -40.031 flat angles P-C4'-P energy: -22.357 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -285.682556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.682556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.682556 (E_RNA) where: Base-Base interactions energy: -102.874 where: short stacking energy: -86.887 Base-Backbone interact. energy: -1.014 local terms energy: -181.795030 where: bonds (distance) C4'-P energy: -54.129 bonds (distance) P-C4' energy: -51.192 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -25.554 tors. eta vs tors. theta energy: 9.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1062.735219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.735219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.735219 (E_RNA) where: Base-Base interactions energy: -719.137 where: short stacking energy: -326.942 Base-Backbone interact. energy: -2.305 local terms energy: -341.292858 where: bonds (distance) C4'-P energy: -62.771 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -74.390 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -96.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1027.668055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.668055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.668055 (E_RNA) where: Base-Base interactions energy: -681.368 where: short stacking energy: -301.926 Base-Backbone interact. energy: -1.022 local terms energy: -345.278099 where: bonds (distance) C4'-P energy: -65.808 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: -86.410 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: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1000.251706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.251706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.251706 (E_RNA) where: Base-Base interactions energy: -668.721 where: short stacking energy: -290.338 Base-Backbone interact. energy: -2.548 local terms energy: -328.982544 where: bonds (distance) C4'-P energy: -66.531 bonds (distance) P-C4' energy: -69.139 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -78.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -914.939181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.939181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.939181 (E_RNA) where: Base-Base interactions energy: -613.383 where: short stacking energy: -275.370 Base-Backbone interact. energy: -2.393 local terms energy: -299.163226 where: bonds (distance) C4'-P energy: -55.308 bonds (distance) P-C4' energy: -58.681 flat angles C4'-P-C4' energy: -64.674 flat angles P-C4'-P energy: -50.042 tors. eta vs tors. theta energy: -70.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -906.785108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.785108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.785108 (E_RNA) where: Base-Base interactions energy: -610.072 where: short stacking energy: -261.667 Base-Backbone interact. energy: -0.557 local terms energy: -296.156067 where: bonds (distance) C4'-P energy: -58.993 bonds (distance) P-C4' energy: -63.230 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: -74.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -844.218692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.218692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.218692 (E_RNA) where: Base-Base interactions energy: -578.211 where: short stacking energy: -248.229 Base-Backbone interact. energy: -1.040 local terms energy: -264.968351 where: bonds (distance) C4'-P energy: -54.054 bonds (distance) P-C4' energy: -48.126 flat angles C4'-P-C4' energy: -65.258 flat angles P-C4'-P energy: -31.239 tors. eta vs tors. theta energy: -66.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -565.498492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.498492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.498492 (E_RNA) where: Base-Base interactions energy: -335.109 where: short stacking energy: -159.662 Base-Backbone interact. energy: -1.194 local terms energy: -229.195444 where: bonds (distance) C4'-P energy: -53.768 bonds (distance) P-C4' energy: -59.801 flat angles C4'-P-C4' energy: -57.388 flat angles P-C4'-P energy: -32.703 tors. eta vs tors. theta energy: -25.536 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: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -422.411392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.411392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.411392 (E_RNA) where: Base-Base interactions energy: -219.712 where: short stacking energy: -116.072 Base-Backbone interact. energy: -1.510 local terms energy: -201.190003 where: bonds (distance) C4'-P energy: -53.979 bonds (distance) P-C4' energy: -58.111 flat angles C4'-P-C4' energy: -53.336 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -0.961 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: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -317.661657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.661657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.661657 (E_RNA) where: Base-Base interactions energy: -114.630 where: short stacking energy: -94.700 Base-Backbone interact. energy: -0.372 local terms energy: -202.660129 where: bonds (distance) C4'-P energy: -60.682 bonds (distance) P-C4' energy: -66.184 flat angles C4'-P-C4' energy: -41.116 flat angles P-C4'-P energy: -37.867 tors. eta vs tors. theta energy: 3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -273.463778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.463778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.463778 (E_RNA) where: Base-Base interactions energy: -95.505 where: short stacking energy: -61.547 Base-Backbone interact. energy: 0.442 local terms energy: -178.401040 where: bonds (distance) C4'-P energy: -52.134 bonds (distance) P-C4' energy: -65.026 flat angles C4'-P-C4' energy: -45.706 flat angles P-C4'-P energy: -29.474 tors. eta vs tors. theta energy: 13.939 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: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1065.063269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.063269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.063269 (E_RNA) where: Base-Base interactions energy: -695.442 where: short stacking energy: -314.769 Base-Backbone interact. energy: -2.229 local terms energy: -367.392308 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -47.427 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: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1016.982265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.982265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.982265 (E_RNA) where: Base-Base interactions energy: -694.263 where: short stacking energy: -292.284 Base-Backbone interact. energy: -1.132 local terms energy: -321.586596 where: bonds (distance) C4'-P energy: -52.245 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -956.340025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.340025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.340025 (E_RNA) where: Base-Base interactions energy: -646.478 where: short stacking energy: -272.650 Base-Backbone interact. energy: -0.522 local terms energy: -309.339444 where: bonds (distance) C4'-P energy: -60.012 bonds (distance) P-C4' energy: -59.217 flat angles C4'-P-C4' energy: -67.014 flat angles P-C4'-P energy: -46.747 tors. eta vs tors. theta energy: -76.349 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: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -914.116178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.116178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.116178 (E_RNA) where: Base-Base interactions energy: -626.178 where: short stacking energy: -280.616 Base-Backbone interact. energy: 0.127 local terms energy: -288.064970 where: bonds (distance) C4'-P energy: -58.723 bonds (distance) P-C4' energy: -52.519 flat angles C4'-P-C4' energy: -65.560 flat angles P-C4'-P energy: -43.125 tors. eta vs tors. theta energy: -68.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -868.038791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.038791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.038791 (E_RNA) where: Base-Base interactions energy: -568.746 where: short stacking energy: -232.121 Base-Backbone interact. energy: -2.191 local terms energy: -297.101998 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -67.291 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: -61.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -880.386481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.386481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.386481 (E_RNA) where: Base-Base interactions energy: -599.948 where: short stacking energy: -255.268 Base-Backbone interact. energy: -0.551 local terms energy: -279.887043 where: bonds (distance) C4'-P energy: -42.546 bonds (distance) P-C4' energy: -68.963 flat angles C4'-P-C4' energy: -61.053 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -70.450 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: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -576.906924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.906924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.906924 (E_RNA) where: Base-Base interactions energy: -353.152 where: short stacking energy: -172.472 Base-Backbone interact. energy: -1.350 local terms energy: -222.405805 where: bonds (distance) C4'-P energy: -45.984 bonds (distance) P-C4' energy: -56.241 flat angles C4'-P-C4' energy: -57.119 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: -33.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -437.974182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.974182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.974182 (E_RNA) where: Base-Base interactions energy: -213.481 where: short stacking energy: -115.783 Base-Backbone interact. energy: -1.326 local terms energy: -223.167336 where: bonds (distance) C4'-P energy: -48.431 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -53.503 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -17.748 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: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -282.432907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.432907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.432907 (E_RNA) where: Base-Base interactions energy: -107.684 where: short stacking energy: -100.741 Base-Backbone interact. energy: 0.657 local terms energy: -175.405780 where: bonds (distance) C4'-P energy: -61.227 bonds (distance) P-C4' energy: -44.500 flat angles C4'-P-C4' energy: -50.575 flat angles P-C4'-P energy: -26.091 tors. eta vs tors. theta energy: 6.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -270.674973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.674973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.674973 (E_RNA) where: Base-Base interactions energy: -115.160 where: short stacking energy: -70.881 Base-Backbone interact. energy: -0.698 local terms energy: -154.816812 where: bonds (distance) C4'-P energy: -51.635 bonds (distance) P-C4' energy: -50.310 flat angles C4'-P-C4' energy: -50.617 flat angles P-C4'-P energy: -23.965 tors. eta vs tors. theta energy: 21.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1059.549701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.549701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.549701 (E_RNA) where: Base-Base interactions energy: -716.824 where: short stacking energy: -313.558 Base-Backbone interact. energy: -1.409 local terms energy: -341.316526 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -61.408 flat angles C4'-P-C4' energy: -70.654 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -89.421 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: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1040.858704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.858704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.858704 (E_RNA) where: Base-Base interactions energy: -717.803 where: short stacking energy: -304.895 Base-Backbone interact. energy: 0.029 local terms energy: -323.084780 where: bonds (distance) C4'-P energy: -57.954 bonds (distance) P-C4' energy: -58.390 flat angles C4'-P-C4' energy: -72.439 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: -87.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -966.437180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.437180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.437180 (E_RNA) where: Base-Base interactions energy: -647.671 where: short stacking energy: -281.840 Base-Backbone interact. energy: -1.595 local terms energy: -317.170416 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -59.512 flat angles C4'-P-C4' energy: -71.462 flat angles P-C4'-P energy: -50.030 tors. eta vs tors. theta energy: -78.155 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: 109 Temperature: 1.050000 Total energy: -933.442796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.442796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.442796 (E_RNA) where: Base-Base interactions energy: -632.907 where: short stacking energy: -288.046 Base-Backbone interact. energy: -0.490 local terms energy: -300.045540 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -56.119 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -48.371 tors. eta vs tors. theta energy: -77.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -904.126348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.126348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.126348 (E_RNA) where: Base-Base interactions energy: -622.581 where: short stacking energy: -266.361 Base-Backbone interact. energy: 0.688 local terms energy: -282.232518 where: bonds (distance) C4'-P energy: -57.194 bonds (distance) P-C4' energy: -54.356 flat angles C4'-P-C4' energy: -75.178 flat angles P-C4'-P energy: -30.964 tors. eta vs tors. theta energy: -64.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -906.452530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.452530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.452530 (E_RNA) where: Base-Base interactions energy: -606.829 where: short stacking energy: -257.015 Base-Backbone interact. energy: 0.745 local terms energy: -300.368316 where: bonds (distance) C4'-P energy: -51.640 bonds (distance) P-C4' energy: -61.041 flat angles C4'-P-C4' energy: -66.040 flat angles P-C4'-P energy: -46.333 tors. eta vs tors. theta energy: -75.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -612.206680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.206680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.206680 (E_RNA) where: Base-Base interactions energy: -378.952 where: short stacking energy: -178.063 Base-Backbone interact. energy: -1.178 local terms energy: -232.076659 where: bonds (distance) C4'-P energy: -46.082 bonds (distance) P-C4' energy: -57.493 flat angles C4'-P-C4' energy: -60.461 flat angles P-C4'-P energy: -37.603 tors. eta vs tors. theta energy: -30.437 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -490.386245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.386245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.386245 (E_RNA) where: Base-Base interactions energy: -267.264 where: short stacking energy: -152.764 Base-Backbone interact. energy: -1.324 local terms energy: -221.797800 where: bonds (distance) C4'-P energy: -60.805 bonds (distance) P-C4' energy: -55.618 flat angles C4'-P-C4' energy: -56.094 flat angles P-C4'-P energy: -22.071 tors. eta vs tors. theta energy: -27.209 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: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -282.834976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.834976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.834976 (E_RNA) where: Base-Base interactions energy: -122.824 where: short stacking energy: -98.287 Base-Backbone interact. energy: 2.265 local terms energy: -162.276305 where: bonds (distance) C4'-P energy: -49.499 bonds (distance) P-C4' energy: -45.910 flat angles C4'-P-C4' energy: -46.895 flat angles P-C4'-P energy: -24.515 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: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -273.390994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.390994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.390994 (E_RNA) where: Base-Base interactions energy: -99.002 where: short stacking energy: -80.816 Base-Backbone interact. energy: -1.832 local terms energy: -172.557204 where: bonds (distance) C4'-P energy: -50.431 bonds (distance) P-C4' energy: -52.650 flat angles C4'-P-C4' energy: -48.392 flat angles P-C4'-P energy: -31.641 tors. eta vs tors. theta energy: 10.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1070.585772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.585772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.585772 (E_RNA) where: Base-Base interactions energy: -732.248 where: short stacking energy: -323.445 Base-Backbone interact. energy: -1.701 local terms energy: -336.637244 where: bonds (distance) C4'-P energy: -69.841 bonds (distance) P-C4' energy: -55.340 flat angles C4'-P-C4' energy: -80.680 flat angles P-C4'-P energy: -35.206 tors. eta vs tors. theta energy: -95.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1029.829877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.829877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.829877 (E_RNA) where: Base-Base interactions energy: -712.584 where: short stacking energy: -300.076 Base-Backbone interact. energy: -1.500 local terms energy: -315.746248 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -56.144 flat angles C4'-P-C4' energy: -63.952 flat angles P-C4'-P energy: -46.317 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: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -942.930674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.930674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.930674 (E_RNA) where: Base-Base interactions energy: -622.284 where: short stacking energy: -292.429 Base-Backbone interact. energy: -3.106 local terms energy: -317.541061 where: bonds (distance) C4'-P energy: -62.094 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -64.358 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -83.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -944.544079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.544079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.544079 (E_RNA) where: Base-Base interactions energy: -627.549 where: short stacking energy: -278.667 Base-Backbone interact. energy: -1.014 local terms energy: -315.980374 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -57.521 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -86.286 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -925.489709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.489709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.489709 (E_RNA) where: Base-Base interactions energy: -597.226 where: short stacking energy: -272.367 Base-Backbone interact. energy: 1.028 local terms energy: -329.291799 where: bonds (distance) C4'-P energy: -65.935 bonds (distance) P-C4' energy: -71.952 flat angles C4'-P-C4' energy: -68.065 flat angles P-C4'-P energy: -45.934 tors. eta vs tors. theta energy: -77.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -884.525794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.525794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.525794 (E_RNA) where: Base-Base interactions energy: -598.959 where: short stacking energy: -264.282 Base-Backbone interact. energy: 1.855 local terms energy: -287.422241 where: bonds (distance) C4'-P energy: -42.189 bonds (distance) P-C4' energy: -60.932 flat angles C4'-P-C4' energy: -61.976 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -74.518 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -585.126700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.126700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.126700 (E_RNA) where: Base-Base interactions energy: -354.414 where: short stacking energy: -192.470 Base-Backbone interact. energy: -0.668 local terms energy: -230.044441 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -63.158 flat angles C4'-P-C4' energy: -50.592 flat angles P-C4'-P energy: -29.632 tors. eta vs tors. theta energy: -33.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -548.754606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.754606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.754606 (E_RNA) where: Base-Base interactions energy: -328.981 where: short stacking energy: -172.900 Base-Backbone interact. energy: 3.774 local terms energy: -223.548193 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -47.290 flat angles C4'-P-C4' energy: -49.033 flat angles P-C4'-P energy: -37.478 tors. eta vs tors. theta energy: -24.694 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: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -300.070167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.070167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.070167 (E_RNA) where: Base-Base interactions energy: -96.756 where: short stacking energy: -77.243 Base-Backbone interact. energy: -1.991 local terms energy: -201.322354 where: bonds (distance) C4'-P energy: -45.832 bonds (distance) P-C4' energy: -62.740 flat angles C4'-P-C4' energy: -48.123 flat angles P-C4'-P energy: -34.337 tors. eta vs tors. theta energy: -10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -264.732129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.732129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.732129 (E_RNA) where: Base-Base interactions energy: -91.796 where: short stacking energy: -83.928 Base-Backbone interact. energy: 1.021 local terms energy: -173.956979 where: bonds (distance) C4'-P energy: -46.471 bonds (distance) P-C4' energy: -56.351 flat angles C4'-P-C4' energy: -39.292 flat angles P-C4'-P energy: -25.307 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1065.706562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.706562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.706562 (E_RNA) where: Base-Base interactions energy: -716.144 where: short stacking energy: -317.452 Base-Backbone interact. energy: -2.758 local terms energy: -346.804226 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -74.637 flat angles P-C4'-P energy: -43.954 tors. eta vs tors. theta energy: -93.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1025.258350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.258350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.258350 (E_RNA) where: Base-Base interactions energy: -692.223 where: short stacking energy: -299.425 Base-Backbone interact. energy: 0.323 local terms energy: -333.358132 where: bonds (distance) C4'-P energy: -65.842 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -69.928 flat angles P-C4'-P energy: -55.933 tors. eta vs tors. theta energy: -84.153 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: 111 Temperature: 1.000000 Total energy: -934.373053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.373053 (E_RNA) where: Base-Base interactions energy: -632.675 where: short stacking energy: -276.456 Base-Backbone interact. energy: -1.734 local terms energy: -299.964527 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -63.766 flat angles P-C4'-P energy: -35.502 tors. eta vs tors. theta energy: -85.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -940.950158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.950158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.950158 (E_RNA) where: Base-Base interactions energy: -631.945 where: short stacking energy: -282.190 Base-Backbone interact. energy: -1.375 local terms energy: -307.630017 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -60.144 flat angles C4'-P-C4' energy: -69.301 flat angles P-C4'-P energy: -37.493 tors. eta vs tors. theta energy: -79.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -911.214315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.214315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.214315 (E_RNA) where: Base-Base interactions energy: -600.534 where: short stacking energy: -282.494 Base-Backbone interact. energy: -0.892 local terms energy: -309.788655 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -57.060 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: -81.731 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: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -884.288808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.288808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.288808 (E_RNA) where: Base-Base interactions energy: -612.172 where: short stacking energy: -264.269 Base-Backbone interact. energy: -1.488 local terms energy: -270.628157 where: bonds (distance) C4'-P energy: -60.760 bonds (distance) P-C4' energy: -49.719 flat angles C4'-P-C4' energy: -50.772 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -67.869 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -562.640592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.640592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.640592 (E_RNA) where: Base-Base interactions energy: -332.521 where: short stacking energy: -182.360 Base-Backbone interact. energy: -1.462 local terms energy: -228.657656 where: bonds (distance) C4'-P energy: -43.585 bonds (distance) P-C4' energy: -49.735 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -32.947 tors. eta vs tors. theta energy: -36.082 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: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -495.028428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.028428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.028428 (E_RNA) where: Base-Base interactions energy: -286.877 where: short stacking energy: -148.090 Base-Backbone interact. energy: -0.939 local terms energy: -207.211956 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -50.616 flat angles C4'-P-C4' energy: -50.271 flat angles P-C4'-P energy: -32.987 tors. eta vs tors. theta energy: -21.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -316.075112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.075112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.075112 (E_RNA) where: Base-Base interactions energy: -143.435 where: short stacking energy: -81.721 Base-Backbone interact. energy: -2.295 local terms energy: -170.344408 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -49.580 flat angles C4'-P-C4' energy: -53.565 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: 15.962 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: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -293.113062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.113062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.113062 (E_RNA) where: Base-Base interactions energy: -107.820 where: short stacking energy: -88.266 Base-Backbone interact. energy: 1.040 local terms energy: -186.332665 where: bonds (distance) C4'-P energy: -45.695 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -41.339 flat angles P-C4'-P energy: -33.899 tors. eta vs tors. theta energy: 7.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1052.895067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.895067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.895067 (E_RNA) where: Base-Base interactions energy: -711.550 where: short stacking energy: -309.244 Base-Backbone interact. energy: 1.966 local terms energy: -343.310870 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -73.376 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -93.731 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: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1026.775444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.775444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.775444 (E_RNA) where: Base-Base interactions energy: -699.882 where: short stacking energy: -292.220 Base-Backbone interact. energy: -0.754 local terms energy: -326.140050 where: bonds (distance) C4'-P energy: -52.925 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -89.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -960.666395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.666395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.666395 (E_RNA) where: Base-Base interactions energy: -656.737 where: short stacking energy: -290.136 Base-Backbone interact. energy: -1.705 local terms energy: -302.224826 where: bonds (distance) C4'-P energy: -49.871 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -67.612 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -72.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -926.181576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.181576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.181576 (E_RNA) where: Base-Base interactions energy: -629.424 where: short stacking energy: -276.614 Base-Backbone interact. energy: -2.103 local terms energy: -294.654410 where: bonds (distance) C4'-P energy: -54.068 bonds (distance) P-C4' energy: -68.234 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -78.238 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: 112 Temperature: 1.100000 Total energy: -892.802832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.802832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.802832 (E_RNA) where: Base-Base interactions energy: -579.509 where: short stacking energy: -269.693 Base-Backbone interact. energy: -0.080 local terms energy: -313.213659 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -64.942 flat angles C4'-P-C4' energy: -61.512 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -84.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -872.573695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.573695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.573695 (E_RNA) where: Base-Base interactions energy: -574.075 where: short stacking energy: -248.325 Base-Backbone interact. energy: -1.527 local terms energy: -296.971636 where: bonds (distance) C4'-P energy: -68.401 bonds (distance) P-C4' energy: -52.802 flat angles C4'-P-C4' energy: -68.727 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -66.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -597.341144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.341144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.341144 (E_RNA) where: Base-Base interactions energy: -347.933 where: short stacking energy: -167.475 Base-Backbone interact. energy: -0.652 local terms energy: -248.756729 where: bonds (distance) C4'-P energy: -58.911 bonds (distance) P-C4' energy: -55.187 flat angles C4'-P-C4' energy: -50.882 flat angles P-C4'-P energy: -42.834 tors. eta vs tors. theta energy: -40.941 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: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -471.868229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.868229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.868229 (E_RNA) where: Base-Base interactions energy: -255.477 where: short stacking energy: -149.528 Base-Backbone interact. energy: -0.993 local terms energy: -215.398265 where: bonds (distance) C4'-P energy: -63.341 bonds (distance) P-C4' energy: -63.021 flat angles C4'-P-C4' energy: -50.007 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -25.410 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: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -305.903260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.903260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.903260 (E_RNA) where: Base-Base interactions energy: -132.017 where: short stacking energy: -93.469 Base-Backbone interact. energy: 2.075 local terms energy: -175.961484 where: bonds (distance) C4'-P energy: -47.898 bonds (distance) P-C4' energy: -62.318 flat angles C4'-P-C4' energy: -36.889 flat angles P-C4'-P energy: -31.909 tors. eta vs tors. theta energy: 3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -287.472856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.472856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.472856 (E_RNA) where: Base-Base interactions energy: -117.062 where: short stacking energy: -89.671 Base-Backbone interact. energy: 0.512 local terms energy: -170.923074 where: bonds (distance) C4'-P energy: -56.150 bonds (distance) P-C4' energy: -52.132 flat angles C4'-P-C4' energy: -31.097 flat angles P-C4'-P energy: -31.370 tors. eta vs tors. theta energy: -0.174 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: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1064.020401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.020401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.020401 (E_RNA) where: Base-Base interactions energy: -717.087 where: short stacking energy: -321.837 Base-Backbone interact. energy: -2.751 local terms energy: -344.182393 where: bonds (distance) C4'-P energy: -63.211 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -75.482 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -90.178 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: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1028.342096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.342096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.342096 (E_RNA) where: Base-Base interactions energy: -711.193 where: short stacking energy: -295.948 Base-Backbone interact. energy: -3.439 local terms energy: -313.709929 where: bonds (distance) C4'-P energy: -61.183 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -73.075 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: -82.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -987.638772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.638772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.638772 (E_RNA) where: Base-Base interactions energy: -672.974 where: short stacking energy: -302.177 Base-Backbone interact. energy: -2.768 local terms energy: -311.896490 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -70.461 flat angles P-C4'-P energy: -40.604 tors. eta vs tors. theta energy: -84.666 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: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -918.515613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.515613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.515613 (E_RNA) where: Base-Base interactions energy: -621.316 where: short stacking energy: -266.960 Base-Backbone interact. energy: 3.404 local terms energy: -300.603191 where: bonds (distance) C4'-P energy: -45.958 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -70.881 flat angles P-C4'-P energy: -37.624 tors. eta vs tors. theta energy: -84.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -888.670442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.670442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.670442 (E_RNA) where: Base-Base interactions energy: -603.745 where: short stacking energy: -255.502 Base-Backbone interact. energy: -1.094 local terms energy: -283.832275 where: bonds (distance) C4'-P energy: -49.042 bonds (distance) P-C4' energy: -52.410 flat angles C4'-P-C4' energy: -63.591 flat angles P-C4'-P energy: -39.002 tors. eta vs tors. theta energy: -79.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -892.695615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.695615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.695615 (E_RNA) where: Base-Base interactions energy: -599.329 where: short stacking energy: -255.003 Base-Backbone interact. energy: -1.544 local terms energy: -291.823235 where: bonds (distance) C4'-P energy: -65.846 bonds (distance) P-C4' energy: -62.894 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -34.404 tors. eta vs tors. theta energy: -63.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -630.700285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.700285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.700285 (E_RNA) where: Base-Base interactions energy: -386.638 where: short stacking energy: -193.290 Base-Backbone interact. energy: -2.164 local terms energy: -241.898022 where: bonds (distance) C4'-P energy: -50.982 bonds (distance) P-C4' energy: -53.792 flat angles C4'-P-C4' energy: -58.605 flat angles P-C4'-P energy: -29.434 tors. eta vs tors. theta energy: -49.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -512.436538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.436538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.436538 (E_RNA) where: Base-Base interactions energy: -276.396 where: short stacking energy: -156.842 Base-Backbone interact. energy: -1.247 local terms energy: -234.792979 where: bonds (distance) C4'-P energy: -51.512 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -47.944 flat angles P-C4'-P energy: -37.316 tors. eta vs tors. theta energy: -36.062 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: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -280.987717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.987717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.987717 (E_RNA) where: Base-Base interactions energy: -87.435 where: short stacking energy: -72.478 Base-Backbone interact. energy: 0.159 local terms energy: -193.710880 where: bonds (distance) C4'-P energy: -52.980 bonds (distance) P-C4' energy: -53.553 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -28.323 tors. eta vs tors. theta energy: 0.998 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: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -260.607071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.607071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.607071 (E_RNA) where: Base-Base interactions energy: -91.838 where: short stacking energy: -83.221 Base-Backbone interact. energy: 10.501 local terms energy: -179.269685 where: bonds (distance) C4'-P energy: -62.799 bonds (distance) P-C4' energy: -41.331 flat angles C4'-P-C4' energy: -46.174 flat angles P-C4'-P energy: -35.941 tors. eta vs tors. theta energy: 6.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1072.836890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.836890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.836890 (E_RNA) where: Base-Base interactions energy: -727.987 where: short stacking energy: -330.538 Base-Backbone interact. energy: -1.477 local terms energy: -343.373085 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -57.717 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -92.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1046.611109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.611109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.611109 (E_RNA) where: Base-Base interactions energy: -721.987 where: short stacking energy: -305.889 Base-Backbone interact. energy: -1.009 local terms energy: -323.615294 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -67.015 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -82.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -952.948654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.948654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.948654 (E_RNA) where: Base-Base interactions energy: -640.525 where: short stacking energy: -284.785 Base-Backbone interact. energy: -4.739 local terms energy: -307.684592 where: bonds (distance) C4'-P energy: -51.675 bonds (distance) P-C4' energy: -65.961 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -82.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -955.887389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.887389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.887389 (E_RNA) where: Base-Base interactions energy: -653.749 where: short stacking energy: -275.593 Base-Backbone interact. energy: -0.998 local terms energy: -301.140594 where: bonds (distance) C4'-P energy: -59.262 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -58.129 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -80.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -891.423926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.423926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.423926 (E_RNA) where: Base-Base interactions energy: -604.149 where: short stacking energy: -254.806 Base-Backbone interact. energy: -0.661 local terms energy: -286.613810 where: bonds (distance) C4'-P energy: -53.818 bonds (distance) P-C4' energy: -52.616 flat angles C4'-P-C4' energy: -67.337 flat angles P-C4'-P energy: -40.375 tors. eta vs tors. theta energy: -72.467 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: 114 Temperature: 1.150000 Total energy: -936.500174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.500174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.500174 (E_RNA) where: Base-Base interactions energy: -644.457 where: short stacking energy: -290.009 Base-Backbone interact. energy: -0.222 local terms energy: -291.820455 where: bonds (distance) C4'-P energy: -50.199 bonds (distance) P-C4' energy: -53.939 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -87.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -660.334954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.334954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.334954 (E_RNA) where: Base-Base interactions energy: -401.561 where: short stacking energy: -198.136 Base-Backbone interact. energy: -0.519 local terms energy: -258.254271 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -45.838 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -49.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -472.939010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.939010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.939010 (E_RNA) where: Base-Base interactions energy: -269.404 where: short stacking energy: -160.982 Base-Backbone interact. energy: -1.548 local terms energy: -201.987048 where: bonds (distance) C4'-P energy: -49.528 bonds (distance) P-C4' energy: -55.461 flat angles C4'-P-C4' energy: -40.900 flat angles P-C4'-P energy: -33.165 tors. eta vs tors. theta energy: -22.933 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: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -297.163685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.163685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.163685 (E_RNA) where: Base-Base interactions energy: -97.832 where: short stacking energy: -82.287 Base-Backbone interact. energy: 1.076 local terms energy: -200.408450 where: bonds (distance) C4'-P energy: -42.154 bonds (distance) P-C4' energy: -63.578 flat angles C4'-P-C4' energy: -59.688 flat angles P-C4'-P energy: -28.394 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -267.793022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.793022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.793022 (E_RNA) where: Base-Base interactions energy: -87.538 where: short stacking energy: -57.571 Base-Backbone interact. energy: -1.798 local terms energy: -178.456812 where: bonds (distance) C4'-P energy: -61.722 bonds (distance) P-C4' energy: -58.724 flat angles C4'-P-C4' energy: -48.658 flat angles P-C4'-P energy: -25.398 tors. eta vs tors. theta energy: 16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1063.398122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.398122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.398122 (E_RNA) where: Base-Base interactions energy: -720.188 where: short stacking energy: -310.825 Base-Backbone interact. energy: -2.149 local terms energy: -341.060758 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -66.788 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -91.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1075.007082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.007082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.007082 (E_RNA) where: Base-Base interactions energy: -727.160 where: short stacking energy: -309.833 Base-Backbone interact. energy: -2.805 local terms energy: -345.042268 where: bonds (distance) C4'-P energy: -66.614 bonds (distance) P-C4' energy: -66.559 flat angles C4'-P-C4' energy: -70.353 flat angles P-C4'-P energy: -52.251 tors. eta vs tors. theta energy: -89.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -937.803868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.803868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.803868 (E_RNA) where: Base-Base interactions energy: -604.402 where: short stacking energy: -264.079 Base-Backbone interact. energy: 1.535 local terms energy: -334.936053 where: bonds (distance) C4'-P energy: -67.268 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -71.148 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -82.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -956.607743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.607743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.607743 (E_RNA) where: Base-Base interactions energy: -639.993 where: short stacking energy: -275.132 Base-Backbone interact. energy: 1.348 local terms energy: -317.963429 where: bonds (distance) C4'-P energy: -61.738 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -74.377 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -76.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -838.794007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.794007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.794007 (E_RNA) where: Base-Base interactions energy: -533.787 where: short stacking energy: -227.347 Base-Backbone interact. energy: -0.932 local terms energy: -304.075634 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -70.579 flat angles C4'-P-C4' energy: -65.762 flat angles P-C4'-P energy: -38.842 tors. eta vs tors. theta energy: -68.719 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: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -895.757628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.757628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.757628 (E_RNA) where: Base-Base interactions energy: -610.016 where: short stacking energy: -255.248 Base-Backbone interact. energy: -0.874 local terms energy: -284.867581 where: bonds (distance) C4'-P energy: -49.689 bonds (distance) P-C4' energy: -59.089 flat angles C4'-P-C4' energy: -64.960 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -75.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -644.758913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.758913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.758913 (E_RNA) where: Base-Base interactions energy: -403.626 where: short stacking energy: -183.836 Base-Backbone interact. energy: 0.651 local terms energy: -241.783331 where: bonds (distance) C4'-P energy: -62.391 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -57.936 flat angles P-C4'-P energy: -31.332 tors. eta vs tors. theta energy: -37.736 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: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -467.178306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.178306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.178306 (E_RNA) where: Base-Base interactions energy: -266.215 where: short stacking energy: -137.902 Base-Backbone interact. energy: -1.013 local terms energy: -199.951130 where: bonds (distance) C4'-P energy: -54.315 bonds (distance) P-C4' energy: -36.868 flat angles C4'-P-C4' energy: -62.740 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -4.526 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -289.067877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.067877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.067877 (E_RNA) where: Base-Base interactions energy: -91.500 where: short stacking energy: -79.598 Base-Backbone interact. energy: -1.599 local terms energy: -195.968327 where: bonds (distance) C4'-P energy: -57.559 bonds (distance) P-C4' energy: -56.009 flat angles C4'-P-C4' energy: -56.658 flat angles P-C4'-P energy: -32.961 tors. eta vs tors. theta energy: 7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -260.523489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.523489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.523489 (E_RNA) where: Base-Base interactions energy: -88.959 where: short stacking energy: -43.923 Base-Backbone interact. energy: 2.907 local terms energy: -174.471839 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -21.637 tors. eta vs tors. theta energy: 24.652 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: 116 Temperature: 0.900000 Total energy: -1043.045266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.045266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.045266 (E_RNA) where: Base-Base interactions energy: -691.348 where: short stacking energy: -301.846 Base-Backbone interact. energy: -1.632 local terms energy: -350.065342 where: bonds (distance) C4'-P energy: -63.826 bonds (distance) P-C4' energy: -69.280 flat angles C4'-P-C4' energy: -74.790 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -88.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1046.118843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.118843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.118843 (E_RNA) where: Base-Base interactions energy: -712.585 where: short stacking energy: -324.247 Base-Backbone interact. energy: -2.748 local terms energy: -330.785554 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -91.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -964.614084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.614084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.614084 (E_RNA) where: Base-Base interactions energy: -638.689 where: short stacking energy: -290.777 Base-Backbone interact. energy: 0.329 local terms energy: -326.254520 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -69.225 flat angles C4'-P-C4' energy: -63.446 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -85.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -921.549069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.549069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.549069 (E_RNA) where: Base-Base interactions energy: -631.085 where: short stacking energy: -268.839 Base-Backbone interact. energy: -1.506 local terms energy: -288.957978 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -47.713 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -71.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -934.330829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.330829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.330829 (E_RNA) where: Base-Base interactions energy: -643.824 where: short stacking energy: -268.129 Base-Backbone interact. energy: -1.157 local terms energy: -289.349238 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -57.241 flat angles C4'-P-C4' energy: -65.776 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -57.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -807.973261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.973261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.973261 (E_RNA) where: Base-Base interactions energy: -524.674 where: short stacking energy: -231.208 Base-Backbone interact. energy: -3.505 local terms energy: -279.794198 where: bonds (distance) C4'-P energy: -45.631 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -66.915 flat angles P-C4'-P energy: -38.223 tors. eta vs tors. theta energy: -63.689 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: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -661.450454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.450454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.450454 (E_RNA) where: Base-Base interactions energy: -429.794 where: short stacking energy: -180.163 Base-Backbone interact. energy: -1.471 local terms energy: -230.185838 where: bonds (distance) C4'-P energy: -52.462 bonds (distance) P-C4' energy: -61.584 flat angles C4'-P-C4' energy: -53.216 flat angles P-C4'-P energy: -35.055 tors. eta vs tors. theta energy: -27.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -478.767247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.767247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.767247 (E_RNA) where: Base-Base interactions energy: -270.795 where: short stacking energy: -133.731 Base-Backbone interact. energy: -1.265 local terms energy: -206.707677 where: bonds (distance) C4'-P energy: -52.393 bonds (distance) P-C4' energy: -63.455 flat angles C4'-P-C4' energy: -41.006 flat angles P-C4'-P energy: -33.508 tors. eta vs tors. theta energy: -16.346 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: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -291.859547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.859547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.859547 (E_RNA) where: Base-Base interactions energy: -123.103 where: short stacking energy: -69.109 Base-Backbone interact. energy: -0.846 local terms energy: -167.910463 where: bonds (distance) C4'-P energy: -51.917 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -54.068 flat angles P-C4'-P energy: -23.057 tors. eta vs tors. theta energy: 21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -268.197071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.197071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.197071 (E_RNA) where: Base-Base interactions energy: -82.934 where: short stacking energy: -77.184 Base-Backbone interact. energy: 1.685 local terms energy: -186.948186 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -62.102 flat angles C4'-P-C4' energy: -52.481 flat angles P-C4'-P energy: -23.878 tors. eta vs tors. theta energy: 16.379 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: 117 Temperature: 0.900000 Total energy: -1058.336147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.336147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.336147 (E_RNA) where: Base-Base interactions energy: -734.529 where: short stacking energy: -298.852 Base-Backbone interact. energy: -1.223 local terms energy: -322.584052 where: bonds (distance) C4'-P energy: -65.699 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -68.536 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -83.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1046.717082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.717082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.717082 (E_RNA) where: Base-Base interactions energy: -707.977 where: short stacking energy: -310.384 Base-Backbone interact. energy: -2.767 local terms energy: -335.973260 where: bonds (distance) C4'-P energy: -67.085 bonds (distance) P-C4' energy: -60.048 flat angles C4'-P-C4' energy: -62.762 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -93.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -980.072731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.072731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.072731 (E_RNA) where: Base-Base interactions energy: -677.551 where: short stacking energy: -290.716 Base-Backbone interact. energy: -0.824 local terms energy: -301.697166 where: bonds (distance) C4'-P energy: -57.014 bonds (distance) P-C4' energy: -60.053 flat angles C4'-P-C4' energy: -63.144 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -80.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -924.365067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.365067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.365067 (E_RNA) where: Base-Base interactions energy: -610.564 where: short stacking energy: -257.864 Base-Backbone interact. energy: 4.063 local terms energy: -317.864377 where: bonds (distance) C4'-P energy: -68.689 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -61.707 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -80.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -927.557031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.557031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.557031 (E_RNA) where: Base-Base interactions energy: -627.738 where: short stacking energy: -277.345 Base-Backbone interact. energy: -0.191 local terms energy: -299.627066 where: bonds (distance) C4'-P energy: -46.067 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -66.472 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: -81.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -847.935446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.935446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.935446 (E_RNA) where: Base-Base interactions energy: -566.928 where: short stacking energy: -258.935 Base-Backbone interact. energy: 4.570 local terms energy: -285.577673 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -64.546 flat angles P-C4'-P energy: -32.612 tors. eta vs tors. theta energy: -81.801 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: 3 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -659.681051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.681051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.681051 (E_RNA) where: Base-Base interactions energy: -417.094 where: short stacking energy: -183.245 Base-Backbone interact. energy: 0.665 local terms energy: -243.251771 where: bonds (distance) C4'-P energy: -48.861 bonds (distance) P-C4' energy: -64.287 flat angles C4'-P-C4' energy: -54.556 flat angles P-C4'-P energy: -35.075 tors. eta vs tors. theta energy: -40.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -533.585620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.585620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.585620 (E_RNA) where: Base-Base interactions energy: -312.892 where: short stacking energy: -163.940 Base-Backbone interact. energy: -2.312 local terms energy: -218.381631 where: bonds (distance) C4'-P energy: -51.261 bonds (distance) P-C4' energy: -49.956 flat angles C4'-P-C4' energy: -58.873 flat angles P-C4'-P energy: -29.369 tors. eta vs tors. theta energy: -28.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -306.684149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.684149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.684149 (E_RNA) where: Base-Base interactions energy: -129.084 where: short stacking energy: -107.235 Base-Backbone interact. energy: -1.285 local terms energy: -176.315359 where: bonds (distance) C4'-P energy: -46.048 bonds (distance) P-C4' energy: -40.901 flat angles C4'-P-C4' energy: -57.961 flat angles P-C4'-P energy: -27.904 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -294.292894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.292894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.292894 (E_RNA) where: Base-Base interactions energy: -120.728 where: short stacking energy: -75.012 Base-Backbone interact. energy: -1.327 local terms energy: -172.238030 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -61.766 flat angles C4'-P-C4' energy: -38.961 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: 17.203 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: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1079.459688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.459688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.459688 (E_RNA) where: Base-Base interactions energy: -739.280 where: short stacking energy: -318.389 Base-Backbone interact. energy: -2.553 local terms energy: -337.626950 where: bonds (distance) C4'-P energy: -57.218 bonds (distance) P-C4' energy: -68.901 flat angles C4'-P-C4' energy: -72.970 flat angles P-C4'-P energy: -48.555 tors. eta vs tors. theta energy: -89.983 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: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1022.072287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.072287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.072287 (E_RNA) where: Base-Base interactions energy: -699.424 where: short stacking energy: -278.817 Base-Backbone interact. energy: -1.893 local terms energy: -320.755155 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -44.845 tors. eta vs tors. theta energy: -86.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -989.598972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.598972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.598972 (E_RNA) where: Base-Base interactions energy: -674.690 where: short stacking energy: -292.130 Base-Backbone interact. energy: -1.448 local terms energy: -313.460746 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -55.888 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -49.016 tors. eta vs tors. theta energy: -78.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -956.465671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.465671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.465671 (E_RNA) where: Base-Base interactions energy: -639.351 where: short stacking energy: -278.781 Base-Backbone interact. energy: -1.858 local terms energy: -315.256586 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -65.243 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -41.866 tors. eta vs tors. theta energy: -81.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -954.385324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.385324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.385324 (E_RNA) where: Base-Base interactions energy: -648.239 where: short stacking energy: -281.615 Base-Backbone interact. energy: -0.865 local terms energy: -305.281615 where: bonds (distance) C4'-P energy: -62.285 bonds (distance) P-C4' energy: -56.707 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -44.085 tors. eta vs tors. theta energy: -80.162 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: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -842.437239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.437239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.437239 (E_RNA) where: Base-Base interactions energy: -586.782 where: short stacking energy: -233.217 Base-Backbone interact. energy: 0.125 local terms energy: -255.779951 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -39.243 flat angles C4'-P-C4' energy: -58.640 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -57.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -653.788171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.788171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.788171 (E_RNA) where: Base-Base interactions energy: -396.624 where: short stacking energy: -178.506 Base-Backbone interact. energy: -1.239 local terms energy: -255.925328 where: bonds (distance) C4'-P energy: -53.890 bonds (distance) P-C4' energy: -67.706 flat angles C4'-P-C4' energy: -58.219 flat angles P-C4'-P energy: -32.640 tors. eta vs tors. theta energy: -43.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -458.037366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.037366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.037366 (E_RNA) where: Base-Base interactions energy: -258.624 where: short stacking energy: -133.551 Base-Backbone interact. energy: -1.751 local terms energy: -197.662260 where: bonds (distance) C4'-P energy: -47.608 bonds (distance) P-C4' energy: -45.190 flat angles C4'-P-C4' energy: -59.585 flat angles P-C4'-P energy: -33.450 tors. eta vs tors. theta energy: -11.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -329.747551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.747551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.747551 (E_RNA) where: Base-Base interactions energy: -133.868 where: short stacking energy: -120.130 Base-Backbone interact. energy: -0.676 local terms energy: -195.204165 where: bonds (distance) C4'-P energy: -54.321 bonds (distance) P-C4' energy: -48.608 flat angles C4'-P-C4' energy: -45.137 flat angles P-C4'-P energy: -36.195 tors. eta vs tors. theta energy: -10.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -288.314711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.314711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.314711 (E_RNA) where: Base-Base interactions energy: -114.182 where: short stacking energy: -79.752 Base-Backbone interact. energy: -1.951 local terms energy: -172.182376 where: bonds (distance) C4'-P energy: -44.999 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -46.001 flat angles P-C4'-P energy: -30.466 tors. eta vs tors. theta energy: 8.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1086.280652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.280652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.280652 (E_RNA) where: Base-Base interactions energy: -756.551 where: short stacking energy: -328.181 Base-Backbone interact. energy: -2.366 local terms energy: -327.364176 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -75.934 flat angles P-C4'-P energy: -37.511 tors. eta vs tors. theta energy: -86.169 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: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1028.436641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.436641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.436641 (E_RNA) where: Base-Base interactions energy: -689.008 where: short stacking energy: -306.094 Base-Backbone interact. energy: -0.733 local terms energy: -338.696239 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -64.358 flat angles P-C4'-P energy: -45.078 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: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1025.666381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.666381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.666381 (E_RNA) where: Base-Base interactions energy: -677.278 where: short stacking energy: -308.980 Base-Backbone interact. energy: -1.582 local terms energy: -346.806774 where: bonds (distance) C4'-P energy: -71.050 bonds (distance) P-C4' energy: -63.669 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -89.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -947.874950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.874950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.874950 (E_RNA) where: Base-Base interactions energy: -658.696 where: short stacking energy: -300.927 Base-Backbone interact. energy: 0.495 local terms energy: -289.674061 where: bonds (distance) C4'-P energy: -49.994 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -64.385 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -73.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -914.725871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.725871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.725871 (E_RNA) where: Base-Base interactions energy: -613.000 where: short stacking energy: -268.903 Base-Backbone interact. energy: -2.065 local terms energy: -299.661201 where: bonds (distance) C4'-P energy: -55.567 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -69.545 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -77.513 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: 6, replica: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -833.558059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.558059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.558059 (E_RNA) where: Base-Base interactions energy: -550.704 where: short stacking energy: -247.345 Base-Backbone interact. energy: -0.730 local terms energy: -282.124017 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -59.463 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -38.571 tors. eta vs tors. theta energy: -62.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -604.497187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.497187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.497187 (E_RNA) where: Base-Base interactions energy: -369.008 where: short stacking energy: -175.398 Base-Backbone interact. energy: -0.995 local terms energy: -234.494543 where: bonds (distance) C4'-P energy: -51.484 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -55.161 flat angles P-C4'-P energy: -38.343 tors. eta vs tors. theta energy: -34.544 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: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -435.358595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.358595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.358595 (E_RNA) where: Base-Base interactions energy: -218.889 where: short stacking energy: -108.647 Base-Backbone interact. energy: -2.538 local terms energy: -213.931132 where: bonds (distance) C4'-P energy: -59.397 bonds (distance) P-C4' energy: -54.640 flat angles C4'-P-C4' energy: -57.580 flat angles P-C4'-P energy: -34.999 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -409.634326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.634326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.634326 (E_RNA) where: Base-Base interactions energy: -227.434 where: short stacking energy: -124.900 Base-Backbone interact. energy: -0.931 local terms energy: -181.269452 where: bonds (distance) C4'-P energy: -54.461 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -39.343 flat angles P-C4'-P energy: -31.687 tors. eta vs tors. theta energy: -3.242 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: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -263.695004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.695004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.695004 (E_RNA) where: Base-Base interactions energy: -102.833 where: short stacking energy: -76.774 Base-Backbone interact. energy: -1.624 local terms energy: -159.238690 where: bonds (distance) C4'-P energy: -41.696 bonds (distance) P-C4' energy: -54.468 flat angles C4'-P-C4' energy: -46.283 flat angles P-C4'-P energy: -24.809 tors. eta vs tors. theta energy: 8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1078.973545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.973545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.973545 (E_RNA) where: Base-Base interactions energy: -740.327 where: short stacking energy: -321.924 Base-Backbone interact. energy: 0.007 local terms energy: -338.654121 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -63.544 flat angles C4'-P-C4' energy: -65.466 flat angles P-C4'-P energy: -44.719 tors. eta vs tors. theta energy: -97.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1055.113215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.113215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.113215 (E_RNA) where: Base-Base interactions energy: -720.993 where: short stacking energy: -310.518 Base-Backbone interact. energy: 0.584 local terms energy: -334.703907 where: bonds (distance) C4'-P energy: -59.257 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -42.524 tors. eta vs tors. theta energy: -94.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1028.241459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.241459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.241459 (E_RNA) where: Base-Base interactions energy: -707.353 where: short stacking energy: -316.130 Base-Backbone interact. energy: -2.208 local terms energy: -318.680346 where: bonds (distance) C4'-P energy: -58.833 bonds (distance) P-C4' energy: -48.553 flat angles C4'-P-C4' energy: -68.088 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -94.722 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: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -952.441139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.441139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.441139 (E_RNA) where: Base-Base interactions energy: -643.344 where: short stacking energy: -291.711 Base-Backbone interact. energy: 3.069 local terms energy: -312.165858 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -61.725 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -46.694 tors. eta vs tors. theta energy: -76.301 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: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -934.645980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.645980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.645980 (E_RNA) where: Base-Base interactions energy: -651.140 where: short stacking energy: -284.936 Base-Backbone interact. energy: -0.712 local terms energy: -282.793935 where: bonds (distance) C4'-P energy: -48.354 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -55.124 flat angles P-C4'-P energy: -36.566 tors. eta vs tors. theta energy: -83.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -837.947104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.947104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.947104 (E_RNA) where: Base-Base interactions energy: -568.865 where: short stacking energy: -247.904 Base-Backbone interact. energy: -1.416 local terms energy: -267.665789 where: bonds (distance) C4'-P energy: -61.376 bonds (distance) P-C4' energy: -47.600 flat angles C4'-P-C4' energy: -61.502 flat angles P-C4'-P energy: -31.996 tors. eta vs tors. theta energy: -65.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -642.818490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.818490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.818490 (E_RNA) where: Base-Base interactions energy: -417.926 where: short stacking energy: -179.513 Base-Backbone interact. energy: -0.199 local terms energy: -224.694116 where: bonds (distance) C4'-P energy: -49.271 bonds (distance) P-C4' energy: -57.531 flat angles C4'-P-C4' energy: -45.623 flat angles P-C4'-P energy: -38.874 tors. eta vs tors. theta energy: -33.396 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: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -470.020054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.020054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.020054 (E_RNA) where: Base-Base interactions energy: -256.391 where: short stacking energy: -146.499 Base-Backbone interact. energy: 2.476 local terms energy: -216.105840 where: bonds (distance) C4'-P energy: -57.593 bonds (distance) P-C4' energy: -55.915 flat angles C4'-P-C4' energy: -55.611 flat angles P-C4'-P energy: -27.486 tors. eta vs tors. theta energy: -19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -386.114474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.114474 (E_RNA) where: Base-Base interactions energy: -199.423 where: short stacking energy: -110.357 Base-Backbone interact. energy: -0.655 local terms energy: -186.036584 where: bonds (distance) C4'-P energy: -44.004 bonds (distance) P-C4' energy: -55.261 flat angles C4'-P-C4' energy: -58.099 flat angles P-C4'-P energy: -26.382 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -268.768631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.768631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.768631 (E_RNA) where: Base-Base interactions energy: -97.765 where: short stacking energy: -94.158 Base-Backbone interact. energy: 0.188 local terms energy: -171.191447 where: bonds (distance) C4'-P energy: -64.954 bonds (distance) P-C4' energy: -51.914 flat angles C4'-P-C4' energy: -39.982 flat angles P-C4'-P energy: -16.484 tors. eta vs tors. theta energy: 2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1065.997538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.997538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.997538 (E_RNA) where: Base-Base interactions energy: -734.305 where: short stacking energy: -291.697 Base-Backbone interact. energy: 1.873 local terms energy: -333.565122 where: bonds (distance) C4'-P energy: -68.247 bonds (distance) P-C4' energy: -63.250 flat angles C4'-P-C4' energy: -74.029 flat angles P-C4'-P energy: -38.148 tors. eta vs tors. theta energy: -89.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1068.791738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.791738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.791738 (E_RNA) where: Base-Base interactions energy: -723.598 where: short stacking energy: -313.875 Base-Backbone interact. energy: -1.091 local terms energy: -344.102964 where: bonds (distance) C4'-P energy: -60.698 bonds (distance) P-C4' energy: -59.230 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -51.648 tors. eta vs tors. theta energy: -96.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1021.797227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.797227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.797227 (E_RNA) where: Base-Base interactions energy: -689.451 where: short stacking energy: -288.245 Base-Backbone interact. energy: -1.121 local terms energy: -331.225771 where: bonds (distance) C4'-P energy: -52.409 bonds (distance) P-C4' energy: -70.696 flat angles C4'-P-C4' energy: -80.596 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: -80.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -951.360624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.360624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.360624 (E_RNA) where: Base-Base interactions energy: -636.349 where: short stacking energy: -276.157 Base-Backbone interact. energy: -0.544 local terms energy: -314.467840 where: bonds (distance) C4'-P energy: -56.707 bonds (distance) P-C4' energy: -59.169 flat angles C4'-P-C4' energy: -68.411 flat angles P-C4'-P energy: -55.035 tors. eta vs tors. theta energy: -75.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -872.919609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.919609 (E_RNA) where: Base-Base interactions energy: -581.629 where: short stacking energy: -255.030 Base-Backbone interact. energy: -1.058 local terms energy: -290.232119 where: bonds (distance) C4'-P energy: -60.641 bonds (distance) P-C4' energy: -59.359 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -59.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -878.892678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.892678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.892678 (E_RNA) where: Base-Base interactions energy: -580.451 where: short stacking energy: -230.172 Base-Backbone interact. energy: -0.922 local terms energy: -297.519196 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -65.345 flat angles C4'-P-C4' energy: -64.627 flat angles P-C4'-P energy: -43.477 tors. eta vs tors. theta energy: -62.775 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: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -678.658074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.658074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.658074 (E_RNA) where: Base-Base interactions energy: -420.889 where: short stacking energy: -201.918 Base-Backbone interact. energy: -0.026 local terms energy: -257.743242 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -68.809 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -43.889 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: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -434.015978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.015978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.015978 (E_RNA) where: Base-Base interactions energy: -227.876 where: short stacking energy: -138.291 Base-Backbone interact. energy: -1.465 local terms energy: -204.674986 where: bonds (distance) C4'-P energy: -49.265 bonds (distance) P-C4' energy: -50.223 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -35.322 tors. eta vs tors. theta energy: -14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -286.804235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.804235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.804235 (E_RNA) where: Base-Base interactions energy: -112.690 where: short stacking energy: -90.958 Base-Backbone interact. energy: 0.157 local terms energy: -174.270943 where: bonds (distance) C4'-P energy: -36.102 bonds (distance) P-C4' energy: -47.998 flat angles C4'-P-C4' energy: -43.497 flat angles P-C4'-P energy: -34.296 tors. eta vs tors. theta energy: -12.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -284.495646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.495646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.495646 (E_RNA) where: Base-Base interactions energy: -114.467 where: short stacking energy: -77.115 Base-Backbone interact. energy: 0.059 local terms energy: -170.088253 where: bonds (distance) C4'-P energy: -55.410 bonds (distance) P-C4' energy: -55.561 flat angles C4'-P-C4' energy: -42.196 flat angles P-C4'-P energy: -24.867 tors. eta vs tors. theta energy: 7.947 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: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1053.428211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.428211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.428211 (E_RNA) where: Base-Base interactions energy: -731.359 where: short stacking energy: -309.109 Base-Backbone interact. energy: -0.328 local terms energy: -321.740630 where: bonds (distance) C4'-P energy: -62.059 bonds (distance) P-C4' energy: -61.751 flat angles C4'-P-C4' energy: -65.914 flat angles P-C4'-P energy: -43.044 tors. eta vs tors. theta energy: -88.973 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: 4 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1036.116941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.116941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.116941 (E_RNA) where: Base-Base interactions energy: -705.928 where: short stacking energy: -310.893 Base-Backbone interact. energy: -1.315 local terms energy: -328.873933 where: bonds (distance) C4'-P energy: -63.452 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -66.689 flat angles P-C4'-P energy: -45.581 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: 122 Temperature: 1.000000 Total energy: -996.938086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.938086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.938086 (E_RNA) where: Base-Base interactions energy: -685.357 where: short stacking energy: -302.888 Base-Backbone interact. energy: 3.556 local terms energy: -315.137647 where: bonds (distance) C4'-P energy: -49.429 bonds (distance) P-C4' energy: -58.165 flat angles C4'-P-C4' energy: -71.018 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -79.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -978.222690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.222690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.222690 (E_RNA) where: Base-Base interactions energy: -668.005 where: short stacking energy: -278.052 Base-Backbone interact. energy: -1.439 local terms energy: -308.779068 where: bonds (distance) C4'-P energy: -55.838 bonds (distance) P-C4' energy: -70.599 flat angles C4'-P-C4' energy: -59.929 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -76.020 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: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -881.096800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.096800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.096800 (E_RNA) where: Base-Base interactions energy: -594.500 where: short stacking energy: -239.894 Base-Backbone interact. energy: 2.114 local terms energy: -288.710414 where: bonds (distance) C4'-P energy: -49.740 bonds (distance) P-C4' energy: -59.263 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -71.907 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -862.952251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.952251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.952251 (E_RNA) where: Base-Base interactions energy: -584.049 where: short stacking energy: -261.182 Base-Backbone interact. energy: -0.925 local terms energy: -277.977702 where: bonds (distance) C4'-P energy: -54.055 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -25.547 tors. eta vs tors. theta energy: -74.698 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: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -669.669104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.669104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.669104 (E_RNA) where: Base-Base interactions energy: -429.657 where: short stacking energy: -189.755 Base-Backbone interact. energy: -0.770 local terms energy: -239.242281 where: bonds (distance) C4'-P energy: -41.713 bonds (distance) P-C4' energy: -64.926 flat angles C4'-P-C4' energy: -61.689 flat angles P-C4'-P energy: -24.533 tors. eta vs tors. theta energy: -46.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -428.422081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.422081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.422081 (E_RNA) where: Base-Base interactions energy: -217.129 where: short stacking energy: -115.726 Base-Backbone interact. energy: -1.223 local terms energy: -210.069761 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -72.607 flat angles C4'-P-C4' energy: -40.132 flat angles P-C4'-P energy: -32.377 tors. eta vs tors. theta energy: -4.500 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: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -302.339228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.339228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.339228 (E_RNA) where: Base-Base interactions energy: -112.814 where: short stacking energy: -113.162 Base-Backbone interact. energy: 1.450 local terms energy: -190.975586 where: bonds (distance) C4'-P energy: -50.597 bonds (distance) P-C4' energy: -59.516 flat angles C4'-P-C4' energy: -47.900 flat angles P-C4'-P energy: -19.652 tors. eta vs tors. theta energy: -13.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -288.477155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.477155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.477155 (E_RNA) where: Base-Base interactions energy: -102.561 where: short stacking energy: -71.280 Base-Backbone interact. energy: 0.056 local terms energy: -185.972351 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -53.768 flat angles C4'-P-C4' energy: -43.491 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: 4.111 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1066.050375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.050375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.050375 (E_RNA) where: Base-Base interactions energy: -718.773 where: short stacking energy: -316.437 Base-Backbone interact. energy: -0.767 local terms energy: -346.510549 where: bonds (distance) C4'-P energy: -60.865 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -92.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1029.595870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.595870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.595870 (E_RNA) where: Base-Base interactions energy: -694.651 where: short stacking energy: -306.142 Base-Backbone interact. energy: -2.099 local terms energy: -332.846250 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -61.932 flat angles P-C4'-P energy: -44.549 tors. eta vs tors. theta energy: -92.053 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: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -988.080253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.080253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.080253 (E_RNA) where: Base-Base interactions energy: -665.923 where: short stacking energy: -276.621 Base-Backbone interact. energy: -0.725 local terms energy: -321.432472 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -62.127 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -50.062 tors. eta vs tors. theta energy: -78.048 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: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -970.829551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.829551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.829551 (E_RNA) where: Base-Base interactions energy: -656.665 where: short stacking energy: -283.411 Base-Backbone interact. energy: -2.236 local terms energy: -311.928511 where: bonds (distance) C4'-P energy: -63.147 bonds (distance) P-C4' energy: -57.777 flat angles C4'-P-C4' energy: -62.661 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -80.026 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: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -891.144452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.144452 (E_RNA) where: Base-Base interactions energy: -583.043 where: short stacking energy: -249.384 Base-Backbone interact. energy: 1.027 local terms energy: -309.128854 where: bonds (distance) C4'-P energy: -61.151 bonds (distance) P-C4' energy: -68.482 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -42.050 tors. eta vs tors. theta energy: -67.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -852.961687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.961687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.961687 (E_RNA) where: Base-Base interactions energy: -590.589 where: short stacking energy: -257.347 Base-Backbone interact. energy: 4.815 local terms energy: -267.187285 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -45.346 flat angles C4'-P-C4' energy: -61.622 flat angles P-C4'-P energy: -49.249 tors. eta vs tors. theta energy: -60.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -660.410665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.410665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.410665 (E_RNA) where: Base-Base interactions energy: -412.875 where: short stacking energy: -209.573 Base-Backbone interact. energy: -0.028 local terms energy: -247.507403 where: bonds (distance) C4'-P energy: -44.870 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -57.152 flat angles P-C4'-P energy: -31.499 tors. eta vs tors. theta energy: -52.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -489.993315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.993315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.993315 (E_RNA) where: Base-Base interactions energy: -265.102 where: short stacking energy: -153.025 Base-Backbone interact. energy: -0.707 local terms energy: -224.184305 where: bonds (distance) C4'-P energy: -55.217 bonds (distance) P-C4' energy: -60.645 flat angles C4'-P-C4' energy: -50.969 flat angles P-C4'-P energy: -30.724 tors. eta vs tors. theta energy: -26.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -290.105952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.105952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.105952 (E_RNA) where: Base-Base interactions energy: -114.870 where: short stacking energy: -86.739 Base-Backbone interact. energy: 0.534 local terms energy: -175.769903 where: bonds (distance) C4'-P energy: -42.962 bonds (distance) P-C4' energy: -56.095 flat angles C4'-P-C4' energy: -40.309 flat angles P-C4'-P energy: -29.819 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -257.543099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.543099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.543099 (E_RNA) where: Base-Base interactions energy: -84.788 where: short stacking energy: -80.476 Base-Backbone interact. energy: 2.460 local terms energy: -175.214700 where: bonds (distance) C4'-P energy: -47.088 bonds (distance) P-C4' energy: -56.287 flat angles C4'-P-C4' energy: -39.140 flat angles P-C4'-P energy: -27.976 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1078.633232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.633232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.633232 (E_RNA) where: Base-Base interactions energy: -731.357 where: short stacking energy: -298.929 Base-Backbone interact. energy: -2.487 local terms energy: -344.789218 where: bonds (distance) C4'-P energy: -67.226 bonds (distance) P-C4' energy: -64.525 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -50.363 tors. eta vs tors. theta energy: -97.626 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: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1038.749767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.749767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.749767 (E_RNA) where: Base-Base interactions energy: -721.277 where: short stacking energy: -314.668 Base-Backbone interact. energy: -6.247 local terms energy: -311.224889 where: bonds (distance) C4'-P energy: -61.940 bonds (distance) P-C4' energy: -61.383 flat angles C4'-P-C4' energy: -69.160 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -80.311 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: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -990.192618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.192618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.192618 (E_RNA) where: Base-Base interactions energy: -671.258 where: short stacking energy: -300.726 Base-Backbone interact. energy: 0.036 local terms energy: -318.971268 where: bonds (distance) C4'-P energy: -47.236 bonds (distance) P-C4' energy: -60.056 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -93.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -962.200805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.200805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.200805 (E_RNA) where: Base-Base interactions energy: -647.451 where: short stacking energy: -290.325 Base-Backbone interact. energy: -2.100 local terms energy: -312.650330 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -60.785 flat angles C4'-P-C4' energy: -64.166 flat angles P-C4'-P energy: -48.098 tors. eta vs tors. theta energy: -79.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -918.380354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.380354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.380354 (E_RNA) where: Base-Base interactions energy: -624.820 where: short stacking energy: -274.646 Base-Backbone interact. energy: 0.659 local terms energy: -294.219944 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -59.831 flat angles C4'-P-C4' energy: -68.242 flat angles P-C4'-P energy: -41.828 tors. eta vs tors. theta energy: -69.519 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: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -848.531506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.531506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.531506 (E_RNA) where: Base-Base interactions energy: -564.394 where: short stacking energy: -244.250 Base-Backbone interact. energy: 0.200 local terms energy: -284.337456 where: bonds (distance) C4'-P energy: -48.403 bonds (distance) P-C4' energy: -64.454 flat angles C4'-P-C4' energy: -64.467 flat angles P-C4'-P energy: -39.451 tors. eta vs tors. theta energy: -67.563 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: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -661.209545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.209545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.209545 (E_RNA) where: Base-Base interactions energy: -428.039 where: short stacking energy: -186.364 Base-Backbone interact. energy: 0.346 local terms energy: -233.515789 where: bonds (distance) C4'-P energy: -49.822 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -46.874 flat angles P-C4'-P energy: -25.501 tors. eta vs tors. theta energy: -43.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -482.740177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.740177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.740177 (E_RNA) where: Base-Base interactions energy: -264.650 where: short stacking energy: -126.893 Base-Backbone interact. energy: 1.217 local terms energy: -219.307141 where: bonds (distance) C4'-P energy: -55.988 bonds (distance) P-C4' energy: -59.959 flat angles C4'-P-C4' energy: -56.364 flat angles P-C4'-P energy: -26.402 tors. eta vs tors. theta energy: -20.593 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: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -313.050745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.050745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.050745 (E_RNA) where: Base-Base interactions energy: -121.239 where: short stacking energy: -85.693 Base-Backbone interact. energy: 1.669 local terms energy: -193.481449 where: bonds (distance) C4'-P energy: -58.679 bonds (distance) P-C4' energy: -63.314 flat angles C4'-P-C4' energy: -48.607 flat angles P-C4'-P energy: -27.020 tors. eta vs tors. theta energy: 4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -311.624436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.624436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.624436 (E_RNA) where: Base-Base interactions energy: -126.643 where: short stacking energy: -77.642 Base-Backbone interact. energy: -1.653 local terms energy: -183.328071 where: bonds (distance) C4'-P energy: -44.271 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -50.278 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: 13.010 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: 125 Temperature: 0.900000 Total energy: -1086.464270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.464270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.464270 (E_RNA) where: Base-Base interactions energy: -742.588 where: short stacking energy: -317.331 Base-Backbone interact. energy: -2.385 local terms energy: -341.491551 where: bonds (distance) C4'-P energy: -55.667 bonds (distance) P-C4' energy: -65.999 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -45.380 tors. eta vs tors. theta energy: -97.836 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: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1039.219257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.219257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.219257 (E_RNA) where: Base-Base interactions energy: -704.363 where: short stacking energy: -322.900 Base-Backbone interact. energy: 0.025 local terms energy: -334.880953 where: bonds (distance) C4'-P energy: -64.095 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -97.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1005.487916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.487916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.487916 (E_RNA) where: Base-Base interactions energy: -667.690 where: short stacking energy: -291.525 Base-Backbone interact. energy: -1.026 local terms energy: -336.772278 where: bonds (distance) C4'-P energy: -61.794 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -68.811 flat angles P-C4'-P energy: -45.055 tors. eta vs tors. theta energy: -91.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -962.461143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.461143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.461143 (E_RNA) where: Base-Base interactions energy: -638.562 where: short stacking energy: -278.838 Base-Backbone interact. energy: -0.950 local terms energy: -322.949425 where: bonds (distance) C4'-P energy: -61.792 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -69.173 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -77.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -910.884622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.884622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.884622 (E_RNA) where: Base-Base interactions energy: -610.027 where: short stacking energy: -265.880 Base-Backbone interact. energy: -0.132 local terms energy: -300.724993 where: bonds (distance) C4'-P energy: -48.217 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -43.112 tors. eta vs tors. theta energy: -76.721 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: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -728.170019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.170019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.170019 (E_RNA) where: Base-Base interactions energy: -462.032 where: short stacking energy: -223.926 Base-Backbone interact. energy: 0.168 local terms energy: -266.306330 where: bonds (distance) C4'-P energy: -52.987 bonds (distance) P-C4' energy: -53.323 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: -55.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -833.754350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.754350 (E_RNA) where: Base-Base interactions energy: -546.884 where: short stacking energy: -220.710 Base-Backbone interact. energy: 0.606 local terms energy: -287.476414 where: bonds (distance) C4'-P energy: -59.327 bonds (distance) P-C4' energy: -63.323 flat angles C4'-P-C4' energy: -54.712 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -67.257 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: 125 Temperature: 1.250000 Total energy: -489.926866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.926866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.926866 (E_RNA) where: Base-Base interactions energy: -273.088 where: short stacking energy: -132.175 Base-Backbone interact. energy: 1.342 local terms energy: -218.181112 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -61.563 flat angles C4'-P-C4' energy: -44.043 flat angles P-C4'-P energy: -34.258 tors. eta vs tors. theta energy: -21.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -288.983068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.983068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.983068 (E_RNA) where: Base-Base interactions energy: -119.913 where: short stacking energy: -84.820 Base-Backbone interact. energy: -0.147 local terms energy: -168.923600 where: bonds (distance) C4'-P energy: -50.552 bonds (distance) P-C4' energy: -59.628 flat angles C4'-P-C4' energy: -37.407 flat angles P-C4'-P energy: -23.924 tors. eta vs tors. theta energy: 2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -283.701183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.701183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.701183 (E_RNA) where: Base-Base interactions energy: -141.378 where: short stacking energy: -74.021 Base-Backbone interact. energy: 0.191 local terms energy: -142.514780 where: bonds (distance) C4'-P energy: -43.736 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -34.445 flat angles P-C4'-P energy: -16.991 tors. eta vs tors. theta energy: 4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1083.022665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.022665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.022665 (E_RNA) where: Base-Base interactions energy: -746.294 where: short stacking energy: -298.332 Base-Backbone interact. energy: -0.187 local terms energy: -336.541733 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -93.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1043.482133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.482133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.482133 (E_RNA) where: Base-Base interactions energy: -713.797 where: short stacking energy: -310.622 Base-Backbone interact. energy: -1.429 local terms energy: -328.255838 where: bonds (distance) C4'-P energy: -65.300 bonds (distance) P-C4' energy: -67.228 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -33.094 tors. eta vs tors. theta energy: -94.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -992.726426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.726426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.726426 (E_RNA) where: Base-Base interactions energy: -678.777 where: short stacking energy: -304.707 Base-Backbone interact. energy: 0.167 local terms energy: -314.116803 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -87.495 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -987.125227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.125227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.125227 (E_RNA) where: Base-Base interactions energy: -676.217 where: short stacking energy: -294.306 Base-Backbone interact. energy: 0.842 local terms energy: -311.750121 where: bonds (distance) C4'-P energy: -56.198 bonds (distance) P-C4' energy: -48.233 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -89.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -916.898931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.898931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.898931 (E_RNA) where: Base-Base interactions energy: -630.010 where: short stacking energy: -272.965 Base-Backbone interact. energy: -0.399 local terms energy: -286.489621 where: bonds (distance) C4'-P energy: -52.299 bonds (distance) P-C4' energy: -53.549 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -43.356 tors. eta vs tors. theta energy: -71.765 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -727.806516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.806516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.806516 (E_RNA) where: Base-Base interactions energy: -457.707 where: short stacking energy: -213.616 Base-Backbone interact. energy: -0.258 local terms energy: -269.840877 where: bonds (distance) C4'-P energy: -57.148 bonds (distance) P-C4' energy: -55.589 flat angles C4'-P-C4' energy: -57.854 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: -55.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -792.003706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.003706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.003706 (E_RNA) where: Base-Base interactions energy: -538.198 where: short stacking energy: -219.941 Base-Backbone interact. energy: -1.193 local terms energy: -252.612851 where: bonds (distance) C4'-P energy: -42.169 bonds (distance) P-C4' energy: -56.048 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -37.182 tors. eta vs tors. theta energy: -48.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -509.273750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.273750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.273750 (E_RNA) where: Base-Base interactions energy: -282.440 where: short stacking energy: -145.743 Base-Backbone interact. energy: -2.747 local terms energy: -224.086264 where: bonds (distance) C4'-P energy: -52.081 bonds (distance) P-C4' energy: -53.991 flat angles C4'-P-C4' energy: -56.421 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: -26.585 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: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -286.665405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.665405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.665405 (E_RNA) where: Base-Base interactions energy: -92.632 where: short stacking energy: -84.204 Base-Backbone interact. energy: 0.605 local terms energy: -194.638411 where: bonds (distance) C4'-P energy: -55.961 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -43.555 flat angles P-C4'-P energy: -30.147 tors. eta vs tors. theta energy: -0.073 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -265.747701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.747701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.747701 (E_RNA) where: Base-Base interactions energy: -99.955 where: short stacking energy: -65.440 Base-Backbone interact. energy: 0.154 local terms energy: -165.946329 where: bonds (distance) C4'-P energy: -40.212 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -51.338 flat angles P-C4'-P energy: -34.333 tors. eta vs tors. theta energy: 15.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1086.632084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.632084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.632084 (E_RNA) where: Base-Base interactions energy: -738.925 where: short stacking energy: -309.881 Base-Backbone interact. energy: -2.677 local terms energy: -345.029768 where: bonds (distance) C4'-P energy: -68.600 bonds (distance) P-C4' energy: -64.187 flat angles C4'-P-C4' energy: -75.336 flat angles P-C4'-P energy: -39.940 tors. eta vs tors. theta energy: -96.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1023.672166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.672166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.672166 (E_RNA) where: Base-Base interactions energy: -686.689 where: short stacking energy: -297.922 Base-Backbone interact. energy: 0.069 local terms energy: -337.051839 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -72.448 flat angles P-C4'-P energy: -37.841 tors. eta vs tors. theta energy: -95.399 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: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1002.885056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.885056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.885056 (E_RNA) where: Base-Base interactions energy: -700.452 where: short stacking energy: -304.064 Base-Backbone interact. energy: -1.955 local terms energy: -300.477969 where: bonds (distance) C4'-P energy: -58.794 bonds (distance) P-C4' energy: -52.838 flat angles C4'-P-C4' energy: -65.047 flat angles P-C4'-P energy: -35.370 tors. eta vs tors. theta energy: -88.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -930.416830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.416830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.416830 (E_RNA) where: Base-Base interactions energy: -614.800 where: short stacking energy: -275.901 Base-Backbone interact. energy: -1.014 local terms energy: -314.602336 where: bonds (distance) C4'-P energy: -62.826 bonds (distance) P-C4' energy: -60.110 flat angles C4'-P-C4' energy: -64.902 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -76.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -934.188441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.188441 (E_RNA) where: Base-Base interactions energy: -644.815 where: short stacking energy: -273.816 Base-Backbone interact. energy: 1.321 local terms energy: -290.694735 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -59.443 flat angles C4'-P-C4' energy: -58.346 flat angles P-C4'-P energy: -40.454 tors. eta vs tors. theta energy: -72.094 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: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -829.092385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.092385 (E_RNA) where: Base-Base interactions energy: -539.049 where: short stacking energy: -215.897 Base-Backbone interact. energy: -1.630 local terms energy: -288.414120 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -42.578 tors. eta vs tors. theta energy: -63.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -645.826888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.826888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.826888 (E_RNA) where: Base-Base interactions energy: -402.172 where: short stacking energy: -181.096 Base-Backbone interact. energy: -1.227 local terms energy: -242.428090 where: bonds (distance) C4'-P energy: -54.082 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -57.156 flat angles P-C4'-P energy: -31.615 tors. eta vs tors. theta energy: -39.459 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: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -522.206484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.206484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.206484 (E_RNA) where: Base-Base interactions energy: -308.005 where: short stacking energy: -149.346 Base-Backbone interact. energy: -0.615 local terms energy: -213.585725 where: bonds (distance) C4'-P energy: -55.455 bonds (distance) P-C4' energy: -51.306 flat angles C4'-P-C4' energy: -46.774 flat angles P-C4'-P energy: -45.839 tors. eta vs tors. theta energy: -14.212 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: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -289.704798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.704798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.704798 (E_RNA) where: Base-Base interactions energy: -109.117 where: short stacking energy: -80.473 Base-Backbone interact. energy: -0.332 local terms energy: -180.255910 where: bonds (distance) C4'-P energy: -47.499 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -48.358 flat angles P-C4'-P energy: -31.551 tors. eta vs tors. theta energy: 7.238 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -261.659596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.659596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.659596 (E_RNA) where: Base-Base interactions energy: -86.097 where: short stacking energy: -64.682 Base-Backbone interact. energy: -0.719 local terms energy: -174.843484 where: bonds (distance) C4'-P energy: -47.178 bonds (distance) P-C4' energy: -58.737 flat angles C4'-P-C4' energy: -36.371 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: 11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1075.745861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.745861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.745861 (E_RNA) where: Base-Base interactions energy: -741.105 where: short stacking energy: -313.667 Base-Backbone interact. energy: 2.010 local terms energy: -336.651748 where: bonds (distance) C4'-P energy: -58.013 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -79.109 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -96.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1040.263581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.263581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.263581 (E_RNA) where: Base-Base interactions energy: -708.418 where: short stacking energy: -326.858 Base-Backbone interact. energy: 1.532 local terms energy: -333.377903 where: bonds (distance) C4'-P energy: -62.209 bonds (distance) P-C4' energy: -68.213 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -46.320 tors. eta vs tors. theta energy: -89.473 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: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1026.997562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.997562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.997562 (E_RNA) where: Base-Base interactions energy: -719.923 where: short stacking energy: -325.931 Base-Backbone interact. energy: -2.901 local terms energy: -304.173413 where: bonds (distance) C4'-P energy: -52.284 bonds (distance) P-C4' energy: -52.280 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -93.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -925.659832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.659832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.659832 (E_RNA) where: Base-Base interactions energy: -604.946 where: short stacking energy: -271.046 Base-Backbone interact. energy: -0.529 local terms energy: -320.184539 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -69.038 flat angles P-C4'-P energy: -39.281 tors. eta vs tors. theta energy: -81.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -921.933724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.933724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.933724 (E_RNA) where: Base-Base interactions energy: -635.192 where: short stacking energy: -282.684 Base-Backbone interact. energy: -2.131 local terms energy: -284.610433 where: bonds (distance) C4'-P energy: -62.835 bonds (distance) P-C4' energy: -50.911 flat angles C4'-P-C4' energy: -63.917 flat angles P-C4'-P energy: -30.443 tors. eta vs tors. theta energy: -76.504 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: 128 Temperature: 1.150000 Total energy: -806.058636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.058636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.058636 (E_RNA) where: Base-Base interactions energy: -526.963 where: short stacking energy: -209.728 Base-Backbone interact. energy: 0.171 local terms energy: -279.266518 where: bonds (distance) C4'-P energy: -54.607 bonds (distance) P-C4' energy: -62.866 flat angles C4'-P-C4' energy: -64.028 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -48.243 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: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -654.254945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.254945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.254945 (E_RNA) where: Base-Base interactions energy: -412.733 where: short stacking energy: -179.553 Base-Backbone interact. energy: 0.351 local terms energy: -241.873609 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -54.400 flat angles C4'-P-C4' energy: -58.946 flat angles P-C4'-P energy: -30.378 tors. eta vs tors. theta energy: -33.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -510.257969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.257969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.257969 (E_RNA) where: Base-Base interactions energy: -284.874 where: short stacking energy: -135.401 Base-Backbone interact. energy: -2.117 local terms energy: -223.266695 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -59.091 flat angles C4'-P-C4' energy: -54.588 flat angles P-C4'-P energy: -22.480 tors. eta vs tors. theta energy: -25.903 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: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -273.165783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.165783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.165783 (E_RNA) where: Base-Base interactions energy: -96.634 where: short stacking energy: -76.742 Base-Backbone interact. energy: 1.356 local terms energy: -177.887482 where: bonds (distance) C4'-P energy: -55.245 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -34.407 flat angles P-C4'-P energy: -29.122 tors. eta vs tors. theta energy: 6.249 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: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -274.322375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.322375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.322375 (E_RNA) where: Base-Base interactions energy: -94.463 where: short stacking energy: -71.108 Base-Backbone interact. energy: -1.110 local terms energy: -178.749836 where: bonds (distance) C4'-P energy: -56.831 bonds (distance) P-C4' energy: -61.092 flat angles C4'-P-C4' energy: -47.072 flat angles P-C4'-P energy: -18.910 tors. eta vs tors. theta energy: 5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1057.624295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.624295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.624295 (E_RNA) where: Base-Base interactions energy: -718.281 where: short stacking energy: -312.349 Base-Backbone interact. energy: -0.696 local terms energy: -338.646693 where: bonds (distance) C4'-P energy: -68.698 bonds (distance) P-C4' energy: -58.375 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: -96.636 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1042.286330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.286330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.286330 (E_RNA) where: Base-Base interactions energy: -724.193 where: short stacking energy: -322.286 Base-Backbone interact. energy: -4.144 local terms energy: -313.949717 where: bonds (distance) C4'-P energy: -60.205 bonds (distance) P-C4' energy: -52.197 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -34.194 tors. eta vs tors. theta energy: -98.969 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: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1013.149500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.149500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.149500 (E_RNA) where: Base-Base interactions energy: -683.869 where: short stacking energy: -306.365 Base-Backbone interact. energy: -0.931 local terms energy: -328.349810 where: bonds (distance) C4'-P energy: -63.854 bonds (distance) P-C4' energy: -57.631 flat angles C4'-P-C4' energy: -72.578 flat angles P-C4'-P energy: -43.268 tors. eta vs tors. theta energy: -91.018 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: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -942.954235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.954235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.954235 (E_RNA) where: Base-Base interactions energy: -635.674 where: short stacking energy: -285.542 Base-Backbone interact. energy: -1.929 local terms energy: -305.351479 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -60.742 flat angles C4'-P-C4' energy: -64.977 flat angles P-C4'-P energy: -38.928 tors. eta vs tors. theta energy: -88.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -931.671382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.671382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.671382 (E_RNA) where: Base-Base interactions energy: -626.423 where: short stacking energy: -274.355 Base-Backbone interact. energy: -1.523 local terms energy: -303.725401 where: bonds (distance) C4'-P energy: -53.351 bonds (distance) P-C4' energy: -67.407 flat angles C4'-P-C4' energy: -61.898 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -79.743 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: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -822.761003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.761003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.761003 (E_RNA) where: Base-Base interactions energy: -539.911 where: short stacking energy: -244.755 Base-Backbone interact. energy: -2.413 local terms energy: -280.436275 where: bonds (distance) C4'-P energy: -59.188 bonds (distance) P-C4' energy: -51.065 flat angles C4'-P-C4' energy: -65.259 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -67.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -683.907110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.907110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.907110 (E_RNA) where: Base-Base interactions energy: -434.314 where: short stacking energy: -200.621 Base-Backbone interact. energy: 0.468 local terms energy: -250.060753 where: bonds (distance) C4'-P energy: -53.685 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -66.034 flat angles P-C4'-P energy: -21.369 tors. eta vs tors. theta energy: -47.934 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: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -483.563501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.563501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.563501 (E_RNA) where: Base-Base interactions energy: -285.342 where: short stacking energy: -161.342 Base-Backbone interact. energy: -0.957 local terms energy: -197.264178 where: bonds (distance) C4'-P energy: -40.014 bonds (distance) P-C4' energy: -54.662 flat angles C4'-P-C4' energy: -55.056 flat angles P-C4'-P energy: -28.426 tors. eta vs tors. theta energy: -19.107 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -319.829835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.829835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.829835 (E_RNA) where: Base-Base interactions energy: -113.566 where: short stacking energy: -100.025 Base-Backbone interact. energy: -1.399 local terms energy: -204.864322 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -46.031 flat angles P-C4'-P energy: -28.175 tors. eta vs tors. theta energy: -13.406 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: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -281.768279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.768279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.768279 (E_RNA) where: Base-Base interactions energy: -103.338 where: short stacking energy: -90.653 Base-Backbone interact. energy: 0.134 local terms energy: -178.563960 where: bonds (distance) C4'-P energy: -43.288 bonds (distance) P-C4' energy: -58.191 flat angles C4'-P-C4' energy: -50.048 flat angles P-C4'-P energy: -30.870 tors. eta vs tors. theta energy: 3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1072.791733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.791733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.791733 (E_RNA) where: Base-Base interactions energy: -723.575 where: short stacking energy: -315.231 Base-Backbone interact. energy: -1.546 local terms energy: -347.670577 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -96.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1039.398963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.398963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.398963 (E_RNA) where: Base-Base interactions energy: -695.439 where: short stacking energy: -301.293 Base-Backbone interact. energy: -2.142 local terms energy: -341.818565 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -45.790 tors. eta vs tors. theta energy: -96.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1014.929781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.929781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.929781 (E_RNA) where: Base-Base interactions energy: -681.700 where: short stacking energy: -312.446 Base-Backbone interact. energy: -2.325 local terms energy: -330.904358 where: bonds (distance) C4'-P energy: -59.263 bonds (distance) P-C4' energy: -67.830 flat angles C4'-P-C4' energy: -67.543 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: -96.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -936.278133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.278133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.278133 (E_RNA) where: Base-Base interactions energy: -633.654 where: short stacking energy: -263.477 Base-Backbone interact. energy: -1.029 local terms energy: -301.595643 where: bonds (distance) C4'-P energy: -60.099 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -52.525 flat angles P-C4'-P energy: -45.067 tors. eta vs tors. theta energy: -78.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -886.075376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.075376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.075376 (E_RNA) where: Base-Base interactions energy: -602.543 where: short stacking energy: -258.334 Base-Backbone interact. energy: -1.164 local terms energy: -282.368556 where: bonds (distance) C4'-P energy: -53.238 bonds (distance) P-C4' energy: -52.410 flat angles C4'-P-C4' energy: -61.543 flat angles P-C4'-P energy: -42.463 tors. eta vs tors. theta energy: -72.715 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -883.680117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.680117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.680117 (E_RNA) where: Base-Base interactions energy: -595.081 where: short stacking energy: -266.388 Base-Backbone interact. energy: -0.689 local terms energy: -287.909292 where: bonds (distance) C4'-P energy: -60.967 bonds (distance) P-C4' energy: -56.168 flat angles C4'-P-C4' energy: -65.313 flat angles P-C4'-P energy: -33.174 tors. eta vs tors. theta energy: -72.287 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: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -713.084945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.084945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.084945 (E_RNA) where: Base-Base interactions energy: -456.867 where: short stacking energy: -207.443 Base-Backbone interact. energy: -1.348 local terms energy: -254.869948 where: bonds (distance) C4'-P energy: -56.624 bonds (distance) P-C4' energy: -58.540 flat angles C4'-P-C4' energy: -61.455 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -46.062 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: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -518.264802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.264802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.264802 (E_RNA) where: Base-Base interactions energy: -277.914 where: short stacking energy: -144.891 Base-Backbone interact. energy: 0.364 local terms energy: -240.715514 where: bonds (distance) C4'-P energy: -51.465 bonds (distance) P-C4' energy: -62.220 flat angles C4'-P-C4' energy: -55.835 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -33.052 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: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -299.596127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.596127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.596127 (E_RNA) where: Base-Base interactions energy: -115.285 where: short stacking energy: -103.105 Base-Backbone interact. energy: 0.542 local terms energy: -184.853190 where: bonds (distance) C4'-P energy: -39.784 bonds (distance) P-C4' energy: -60.836 flat angles C4'-P-C4' energy: -50.333 flat angles P-C4'-P energy: -34.828 tors. eta vs tors. theta energy: 0.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -285.297276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.297276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.297276 (E_RNA) where: Base-Base interactions energy: -104.916 where: short stacking energy: -102.077 Base-Backbone interact. energy: 0.064 local terms energy: -180.445327 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -48.438 flat angles P-C4'-P energy: -17.694 tors. eta vs tors. theta energy: -3.197 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: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1071.468244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.468244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.468244 (E_RNA) where: Base-Base interactions energy: -722.615 where: short stacking energy: -300.975 Base-Backbone interact. energy: -2.684 local terms energy: -346.169946 where: bonds (distance) C4'-P energy: -69.935 bonds (distance) P-C4' energy: -69.969 flat angles C4'-P-C4' energy: -61.413 flat angles P-C4'-P energy: -57.374 tors. eta vs tors. theta energy: -87.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1039.011870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.011870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.011870 (E_RNA) where: Base-Base interactions energy: -681.158 where: short stacking energy: -300.950 Base-Backbone interact. energy: -0.511 local terms energy: -357.342878 where: bonds (distance) C4'-P energy: -63.001 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: -94.803 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: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1012.492582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.492582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.492582 (E_RNA) where: Base-Base interactions energy: -689.439 where: short stacking energy: -305.818 Base-Backbone interact. energy: 4.221 local terms energy: -327.274335 where: bonds (distance) C4'-P energy: -54.874 bonds (distance) P-C4' energy: -62.952 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -93.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -937.457179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.457179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.457179 (E_RNA) where: Base-Base interactions energy: -622.237 where: short stacking energy: -282.037 Base-Backbone interact. energy: 1.146 local terms energy: -316.366237 where: bonds (distance) C4'-P energy: -69.227 bonds (distance) P-C4' energy: -60.245 flat angles C4'-P-C4' energy: -56.728 flat angles P-C4'-P energy: -50.674 tors. eta vs tors. theta energy: -79.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -826.793758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.793758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.793758 (E_RNA) where: Base-Base interactions energy: -519.863 where: short stacking energy: -244.973 Base-Backbone interact. energy: -1.831 local terms energy: -305.099002 where: bonds (distance) C4'-P energy: -63.482 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -66.200 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: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -823.667434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.667434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.667434 (E_RNA) where: Base-Base interactions energy: -567.215 where: short stacking energy: -242.446 Base-Backbone interact. energy: -2.390 local terms energy: -254.062399 where: bonds (distance) C4'-P energy: -50.480 bonds (distance) P-C4' energy: -54.272 flat angles C4'-P-C4' energy: -55.687 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -58.229 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: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -707.889944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.889944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.889944 (E_RNA) where: Base-Base interactions energy: -445.520 where: short stacking energy: -195.117 Base-Backbone interact. energy: -1.162 local terms energy: -261.208104 where: bonds (distance) C4'-P energy: -61.975 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -54.011 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -46.368 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: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -533.614990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.614990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.614990 (E_RNA) where: Base-Base interactions energy: -296.364 where: short stacking energy: -144.990 Base-Backbone interact. energy: -0.397 local terms energy: -236.853452 where: bonds (distance) C4'-P energy: -54.253 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -52.629 flat angles P-C4'-P energy: -31.170 tors. eta vs tors. theta energy: -31.384 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: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -303.056349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.056349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.056349 (E_RNA) where: Base-Base interactions energy: -104.584 where: short stacking energy: -82.280 Base-Backbone interact. energy: 1.462 local terms energy: -199.933901 where: bonds (distance) C4'-P energy: -56.774 bonds (distance) P-C4' energy: -68.267 flat angles C4'-P-C4' energy: -47.568 flat angles P-C4'-P energy: -34.582 tors. eta vs tors. theta energy: 7.257 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: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -263.416626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.416626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.416626 (E_RNA) where: Base-Base interactions energy: -91.557 where: short stacking energy: -80.559 Base-Backbone interact. energy: -1.994 local terms energy: -169.864987 where: bonds (distance) C4'-P energy: -51.346 bonds (distance) P-C4' energy: -51.530 flat angles C4'-P-C4' energy: -45.299 flat angles P-C4'-P energy: -25.443 tors. eta vs tors. theta energy: 3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1089.394157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.394157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.394157 (E_RNA) where: Base-Base interactions energy: -749.353 where: short stacking energy: -332.663 Base-Backbone interact. energy: -0.618 local terms energy: -339.423981 where: bonds (distance) C4'-P energy: -65.853 bonds (distance) P-C4' energy: -59.460 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -51.123 tors. eta vs tors. theta energy: -93.366 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: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1042.733406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.733406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.733406 (E_RNA) where: Base-Base interactions energy: -704.151 where: short stacking energy: -298.176 Base-Backbone interact. energy: -1.482 local terms energy: -337.099580 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -63.092 flat angles C4'-P-C4' energy: -69.659 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -90.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1029.456633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.456633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.456633 (E_RNA) where: Base-Base interactions energy: -678.344 where: short stacking energy: -310.488 Base-Backbone interact. energy: -1.725 local terms energy: -349.387178 where: bonds (distance) C4'-P energy: -70.496 bonds (distance) P-C4' energy: -64.816 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -47.650 tors. eta vs tors. theta energy: -90.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -958.873016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.873016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.873016 (E_RNA) where: Base-Base interactions energy: -658.288 where: short stacking energy: -281.077 Base-Backbone interact. energy: 0.625 local terms energy: -301.209311 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -55.033 flat angles C4'-P-C4' energy: -65.008 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -76.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -838.053964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.053964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.053964 (E_RNA) where: Base-Base interactions energy: -552.576 where: short stacking energy: -228.103 Base-Backbone interact. energy: -1.243 local terms energy: -284.235217 where: bonds (distance) C4'-P energy: -56.971 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -64.168 flat angles P-C4'-P energy: -35.291 tors. eta vs tors. theta energy: -66.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -802.834387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.834387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.834387 (E_RNA) where: Base-Base interactions energy: -510.464 where: short stacking energy: -230.394 Base-Backbone interact. energy: 0.795 local terms energy: -293.165872 where: bonds (distance) C4'-P energy: -52.348 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -70.985 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: -58.390 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: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -714.938487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.938487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.938487 (E_RNA) where: Base-Base interactions energy: -463.189 where: short stacking energy: -213.806 Base-Backbone interact. energy: -2.026 local terms energy: -249.723939 where: bonds (distance) C4'-P energy: -46.282 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -55.663 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -48.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -501.390029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.390029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.390029 (E_RNA) where: Base-Base interactions energy: -280.869 where: short stacking energy: -160.050 Base-Backbone interact. energy: -1.625 local terms energy: -218.895714 where: bonds (distance) C4'-P energy: -59.164 bonds (distance) P-C4' energy: -54.762 flat angles C4'-P-C4' energy: -50.371 flat angles P-C4'-P energy: -28.805 tors. eta vs tors. theta energy: -25.794 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: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -339.970025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.970025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.970025 (E_RNA) where: Base-Base interactions energy: -175.450 where: short stacking energy: -97.059 Base-Backbone interact. energy: 1.599 local terms energy: -166.118474 where: bonds (distance) C4'-P energy: -36.061 bonds (distance) P-C4' energy: -45.971 flat angles C4'-P-C4' energy: -51.568 flat angles P-C4'-P energy: -36.045 tors. eta vs tors. theta energy: 3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -278.458191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.458191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.458191 (E_RNA) where: Base-Base interactions energy: -104.068 where: short stacking energy: -78.940 Base-Backbone interact. energy: 1.649 local terms energy: -176.039527 where: bonds (distance) C4'-P energy: -37.284 bonds (distance) P-C4' energy: -59.905 flat angles C4'-P-C4' energy: -52.102 flat angles P-C4'-P energy: -25.608 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1071.242412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.242412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.242412 (E_RNA) where: Base-Base interactions energy: -714.567 where: short stacking energy: -321.504 Base-Backbone interact. energy: -0.980 local terms energy: -355.695068 where: bonds (distance) C4'-P energy: -62.347 bonds (distance) P-C4' energy: -63.641 flat angles C4'-P-C4' energy: -74.874 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: -97.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1040.973182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.973182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.973182 (E_RNA) where: Base-Base interactions energy: -690.622 where: short stacking energy: -313.863 Base-Backbone interact. energy: -1.344 local terms energy: -349.007689 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -69.104 flat angles P-C4'-P energy: -52.442 tors. eta vs tors. theta energy: -97.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1025.286341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.286341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.286341 (E_RNA) where: Base-Base interactions energy: -677.501 where: short stacking energy: -303.304 Base-Backbone interact. energy: -0.757 local terms energy: -347.028082 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -56.017 flat angles C4'-P-C4' energy: -82.503 flat angles P-C4'-P energy: -51.991 tors. eta vs tors. theta energy: -94.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -975.399333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.399333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.399333 (E_RNA) where: Base-Base interactions energy: -637.504 where: short stacking energy: -272.322 Base-Backbone interact. energy: -1.404 local terms energy: -336.491221 where: bonds (distance) C4'-P energy: -63.772 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -74.811 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -76.383 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: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -868.479503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.479503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.479503 (E_RNA) where: Base-Base interactions energy: -566.086 where: short stacking energy: -254.369 Base-Backbone interact. energy: -2.633 local terms energy: -299.760599 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -58.062 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -40.118 tors. eta vs tors. theta energy: -70.747 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -773.000751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.000751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.000751 (E_RNA) where: Base-Base interactions energy: -496.337 where: short stacking energy: -218.260 Base-Backbone interact. energy: -1.794 local terms energy: -274.869591 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -39.273 tors. eta vs tors. theta energy: -56.148 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: 133 Temperature: 1.200000 Total energy: -712.088072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.088072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.088072 (E_RNA) where: Base-Base interactions energy: -439.503 where: short stacking energy: -189.888 Base-Backbone interact. energy: -1.162 local terms energy: -271.422707 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -50.643 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -58.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -524.565703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.565703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.565703 (E_RNA) where: Base-Base interactions energy: -288.044 where: short stacking energy: -144.489 Base-Backbone interact. energy: -1.705 local terms energy: -234.817038 where: bonds (distance) C4'-P energy: -53.707 bonds (distance) P-C4' energy: -68.119 flat angles C4'-P-C4' energy: -41.145 flat angles P-C4'-P energy: -40.479 tors. eta vs tors. theta energy: -31.367 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: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -317.760039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.760039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.760039 (E_RNA) where: Base-Base interactions energy: -128.451 where: short stacking energy: -89.639 Base-Backbone interact. energy: -0.942 local terms energy: -188.367104 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -57.742 flat angles C4'-P-C4' energy: -49.689 flat angles P-C4'-P energy: -19.747 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -278.486820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.486820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.486820 (E_RNA) where: Base-Base interactions energy: -105.331 where: short stacking energy: -70.108 Base-Backbone interact. energy: 0.960 local terms energy: -174.115031 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -42.665 flat angles P-C4'-P energy: -26.265 tors. eta vs tors. theta energy: 15.356 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: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1085.788565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.788565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.788565 (E_RNA) where: Base-Base interactions energy: -735.636 where: short stacking energy: -309.381 Base-Backbone interact. energy: -0.434 local terms energy: -349.718232 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -64.411 flat angles C4'-P-C4' energy: -75.703 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -99.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1079.386696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.386696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.386696 (E_RNA) where: Base-Base interactions energy: -719.497 where: short stacking energy: -299.928 Base-Backbone interact. energy: -4.619 local terms energy: -355.270605 where: bonds (distance) C4'-P energy: -68.504 bonds (distance) P-C4' energy: -62.966 flat angles C4'-P-C4' energy: -79.517 flat angles P-C4'-P energy: -43.270 tors. eta vs tors. theta energy: -101.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -972.077733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.077733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.077733 (E_RNA) where: Base-Base interactions energy: -662.646 where: short stacking energy: -295.956 Base-Backbone interact. energy: 5.591 local terms energy: -315.022426 where: bonds (distance) C4'-P energy: -53.916 bonds (distance) P-C4' energy: -68.640 flat angles C4'-P-C4' energy: -60.090 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -83.438 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: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -992.670420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.670420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.670420 (E_RNA) where: Base-Base interactions energy: -649.826 where: short stacking energy: -297.528 Base-Backbone interact. energy: -0.328 local terms energy: -342.515968 where: bonds (distance) C4'-P energy: -66.606 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -75.458 flat angles P-C4'-P energy: -44.561 tors. eta vs tors. theta energy: -87.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -848.292946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.292946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.292946 (E_RNA) where: Base-Base interactions energy: -555.553 where: short stacking energy: -231.427 Base-Backbone interact. energy: 1.610 local terms energy: -294.350673 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -65.989 flat angles C4'-P-C4' energy: -65.934 flat angles P-C4'-P energy: -42.310 tors. eta vs tors. theta energy: -66.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -716.600865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.600865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.600865 (E_RNA) where: Base-Base interactions energy: -441.813 where: short stacking energy: -218.271 Base-Backbone interact. energy: -0.479 local terms energy: -274.309028 where: bonds (distance) C4'-P energy: -49.671 bonds (distance) P-C4' energy: -68.541 flat angles C4'-P-C4' energy: -59.191 flat angles P-C4'-P energy: -38.600 tors. eta vs tors. theta energy: -58.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -730.458451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.458451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.458451 (E_RNA) where: Base-Base interactions energy: -453.104 where: short stacking energy: -223.066 Base-Backbone interact. energy: -0.238 local terms energy: -277.116577 where: bonds (distance) C4'-P energy: -57.914 bonds (distance) P-C4' energy: -59.132 flat angles C4'-P-C4' energy: -58.267 flat angles P-C4'-P energy: -43.505 tors. eta vs tors. theta energy: -58.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -550.406191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.406191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.406191 (E_RNA) where: Base-Base interactions energy: -307.865 where: short stacking energy: -162.744 Base-Backbone interact. energy: -0.790 local terms energy: -241.750911 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -49.791 flat angles P-C4'-P energy: -42.528 tors. eta vs tors. theta energy: -28.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -320.973761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.973761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.973761 (E_RNA) where: Base-Base interactions energy: -125.318 where: short stacking energy: -103.616 Base-Backbone interact. energy: -0.980 local terms energy: -194.675885 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -48.208 flat angles C4'-P-C4' energy: -40.630 flat angles P-C4'-P energy: -31.402 tors. eta vs tors. theta energy: -16.407 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: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -318.853525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.853525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.853525 (E_RNA) where: Base-Base interactions energy: -118.144 where: short stacking energy: -67.632 Base-Backbone interact. energy: -0.171 local terms energy: -200.538375 where: bonds (distance) C4'-P energy: -63.050 bonds (distance) P-C4' energy: -59.631 flat angles C4'-P-C4' energy: -59.232 flat angles P-C4'-P energy: -23.773 tors. eta vs tors. theta energy: 5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1086.199398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.199398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.199398 (E_RNA) where: Base-Base interactions energy: -738.101 where: short stacking energy: -311.516 Base-Backbone interact. energy: -1.254 local terms energy: -346.843733 where: bonds (distance) C4'-P energy: -60.515 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -45.685 tors. eta vs tors. theta energy: -97.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1072.194762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.194762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.194762 (E_RNA) where: Base-Base interactions energy: -733.827 where: short stacking energy: -316.983 Base-Backbone interact. energy: 0.008 local terms energy: -338.375702 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -61.296 flat angles C4'-P-C4' energy: -66.723 flat angles P-C4'-P energy: -50.839 tors. eta vs tors. theta energy: -95.552 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: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -953.165911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.165911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.165911 (E_RNA) where: Base-Base interactions energy: -650.186 where: short stacking energy: -279.440 Base-Backbone interact. energy: -0.732 local terms energy: -302.248202 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -61.009 flat angles C4'-P-C4' energy: -65.572 flat angles P-C4'-P energy: -46.951 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: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -978.503094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.503094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.503094 (E_RNA) where: Base-Base interactions energy: -662.278 where: short stacking energy: -282.574 Base-Backbone interact. energy: -0.346 local terms energy: -315.879054 where: bonds (distance) C4'-P energy: -63.045 bonds (distance) P-C4' energy: -67.799 flat angles C4'-P-C4' energy: -58.546 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: -81.766 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: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -868.082089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.082089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.082089 (E_RNA) where: Base-Base interactions energy: -580.678 where: short stacking energy: -260.205 Base-Backbone interact. energy: -0.619 local terms energy: -286.784915 where: bonds (distance) C4'-P energy: -49.668 bonds (distance) P-C4' energy: -57.269 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -47.144 tors. eta vs tors. theta energy: -64.900 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: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -677.654794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.654794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.654794 (E_RNA) where: Base-Base interactions energy: -416.813 where: short stacking energy: -184.638 Base-Backbone interact. energy: 0.104 local terms energy: -260.945824 where: bonds (distance) C4'-P energy: -53.688 bonds (distance) P-C4' energy: -60.188 flat angles C4'-P-C4' energy: -62.933 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: -43.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -729.111066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.111066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.111066 (E_RNA) where: Base-Base interactions energy: -470.522 where: short stacking energy: -214.723 Base-Backbone interact. energy: -3.173 local terms energy: -255.415701 where: bonds (distance) C4'-P energy: -54.483 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -47.878 flat angles P-C4'-P energy: -28.966 tors. eta vs tors. theta energy: -63.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -516.612822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.612822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.612822 (E_RNA) where: Base-Base interactions energy: -285.008 where: short stacking energy: -141.765 Base-Backbone interact. energy: -0.934 local terms energy: -230.670248 where: bonds (distance) C4'-P energy: -61.715 bonds (distance) P-C4' energy: -67.855 flat angles C4'-P-C4' energy: -48.670 flat angles P-C4'-P energy: -29.679 tors. eta vs tors. theta energy: -22.751 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: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -344.122747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.122747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.122747 (E_RNA) where: Base-Base interactions energy: -147.383 where: short stacking energy: -80.381 Base-Backbone interact. energy: -1.187 local terms energy: -195.552407 where: bonds (distance) C4'-P energy: -64.229 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -43.852 flat angles P-C4'-P energy: -30.140 tors. eta vs tors. theta energy: 0.409 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: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -306.821730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.821730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.821730 (E_RNA) where: Base-Base interactions energy: -110.151 where: short stacking energy: -82.324 Base-Backbone interact. energy: -1.798 local terms energy: -194.873275 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -36.535 flat angles P-C4'-P energy: -37.610 tors. eta vs tors. theta energy: 4.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1078.060633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.060633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.060633 (E_RNA) where: Base-Base interactions energy: -720.647 where: short stacking energy: -316.612 Base-Backbone interact. energy: -0.814 local terms energy: -356.599651 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -69.580 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -44.849 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: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1068.427030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.427030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.427030 (E_RNA) where: Base-Base interactions energy: -733.605 where: short stacking energy: -335.460 Base-Backbone interact. energy: -1.926 local terms energy: -332.896131 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -65.505 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -98.081 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1009.015508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.015508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.015508 (E_RNA) where: Base-Base interactions energy: -689.852 where: short stacking energy: -286.788 Base-Backbone interact. energy: -0.732 local terms energy: -318.431062 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -72.364 flat angles P-C4'-P energy: -41.568 tors. eta vs tors. theta energy: -77.773 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: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -940.991486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.991486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.991486 (E_RNA) where: Base-Base interactions energy: -637.258 where: short stacking energy: -295.080 Base-Backbone interact. energy: 1.089 local terms energy: -304.822747 where: bonds (distance) C4'-P energy: -54.319 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -39.103 tors. eta vs tors. theta energy: -79.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -872.453480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.453480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.453480 (E_RNA) where: Base-Base interactions energy: -581.887 where: short stacking energy: -259.137 Base-Backbone interact. energy: -0.982 local terms energy: -289.584489 where: bonds (distance) C4'-P energy: -56.473 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -25.721 tors. eta vs tors. theta energy: -77.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -725.054888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.054888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.054888 (E_RNA) where: Base-Base interactions energy: -455.543 where: short stacking energy: -214.061 Base-Backbone interact. energy: 1.274 local terms energy: -270.785799 where: bonds (distance) C4'-P energy: -58.506 bonds (distance) P-C4' energy: -58.427 flat angles C4'-P-C4' energy: -58.689 flat angles P-C4'-P energy: -35.643 tors. eta vs tors. theta energy: -59.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -736.130813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.130813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.130813 (E_RNA) where: Base-Base interactions energy: -458.275 where: short stacking energy: -213.666 Base-Backbone interact. energy: -0.329 local terms energy: -277.527643 where: bonds (distance) C4'-P energy: -56.640 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -64.088 flat angles P-C4'-P energy: -50.428 tors. eta vs tors. theta energy: -48.904 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: 136 Temperature: 1.250000 Total energy: -492.465077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.465077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.465077 (E_RNA) where: Base-Base interactions energy: -272.025 where: short stacking energy: -154.035 Base-Backbone interact. energy: -3.594 local terms energy: -216.846572 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -48.442 flat angles C4'-P-C4' energy: -56.004 flat angles P-C4'-P energy: -34.327 tors. eta vs tors. theta energy: -28.209 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: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -295.570736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.570736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.570736 (E_RNA) where: Base-Base interactions energy: -106.405 where: short stacking energy: -91.140 Base-Backbone interact. energy: -1.524 local terms energy: -187.641548 where: bonds (distance) C4'-P energy: -49.779 bonds (distance) P-C4' energy: -54.898 flat angles C4'-P-C4' energy: -51.508 flat angles P-C4'-P energy: -35.880 tors. eta vs tors. theta energy: 4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -321.646864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.646864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.646864 (E_RNA) where: Base-Base interactions energy: -121.582 where: short stacking energy: -87.659 Base-Backbone interact. energy: -0.887 local terms energy: -199.177087 where: bonds (distance) C4'-P energy: -59.093 bonds (distance) P-C4' energy: -57.942 flat angles C4'-P-C4' energy: -55.335 flat angles P-C4'-P energy: -36.527 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1075.282524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.282524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.282524 (E_RNA) where: Base-Base interactions energy: -722.636 where: short stacking energy: -327.775 Base-Backbone interact. energy: -0.900 local terms energy: -351.746167 where: bonds (distance) C4'-P energy: -68.930 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -65.145 flat angles P-C4'-P energy: -42.427 tors. eta vs tors. theta energy: -103.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1067.868659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.868659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.868659 (E_RNA) where: Base-Base interactions energy: -731.809 where: short stacking energy: -317.101 Base-Backbone interact. energy: -1.252 local terms energy: -334.808074 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -69.636 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -95.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -988.344864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.344864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.344864 (E_RNA) where: Base-Base interactions energy: -657.892 where: short stacking energy: -284.450 Base-Backbone interact. energy: -0.323 local terms energy: -330.129659 where: bonds (distance) C4'-P energy: -53.515 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -47.724 tors. eta vs tors. theta energy: -89.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -894.349811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.349811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.349811 (E_RNA) where: Base-Base interactions energy: -585.318 where: short stacking energy: -271.860 Base-Backbone interact. energy: -1.384 local terms energy: -307.647822 where: bonds (distance) C4'-P energy: -52.733 bonds (distance) P-C4' energy: -57.174 flat angles C4'-P-C4' energy: -74.372 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: -79.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -905.278877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.278877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.278877 (E_RNA) where: Base-Base interactions energy: -605.359 where: short stacking energy: -267.553 Base-Backbone interact. energy: -0.798 local terms energy: -299.121654 where: bonds (distance) C4'-P energy: -54.684 bonds (distance) P-C4' energy: -57.581 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: -70.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -807.245448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.245448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.245448 (E_RNA) where: Base-Base interactions energy: -526.276 where: short stacking energy: -250.318 Base-Backbone interact. energy: -1.368 local terms energy: -279.601651 where: bonds (distance) C4'-P energy: -53.484 bonds (distance) P-C4' energy: -53.553 flat angles C4'-P-C4' energy: -64.491 flat angles P-C4'-P energy: -42.713 tors. eta vs tors. theta energy: -65.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -716.469803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.469803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.469803 (E_RNA) where: Base-Base interactions energy: -463.489 where: short stacking energy: -196.957 Base-Backbone interact. energy: -2.770 local terms energy: -250.210233 where: bonds (distance) C4'-P energy: -52.714 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -58.020 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: -41.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -523.312138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.312138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.312138 (E_RNA) where: Base-Base interactions energy: -296.576 where: short stacking energy: -156.016 Base-Backbone interact. energy: 0.718 local terms energy: -227.454416 where: bonds (distance) C4'-P energy: -57.990 bonds (distance) P-C4' energy: -49.128 flat angles C4'-P-C4' energy: -57.991 flat angles P-C4'-P energy: -32.066 tors. eta vs tors. theta energy: -30.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -291.853303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.853303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.853303 (E_RNA) where: Base-Base interactions energy: -94.956 where: short stacking energy: -98.959 Base-Backbone interact. energy: -1.252 local terms energy: -195.645545 where: bonds (distance) C4'-P energy: -54.699 bonds (distance) P-C4' energy: -57.042 flat angles C4'-P-C4' energy: -42.663 flat angles P-C4'-P energy: -30.595 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -287.640405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.640405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.640405 (E_RNA) where: Base-Base interactions energy: -113.362 where: short stacking energy: -84.531 Base-Backbone interact. energy: -1.500 local terms energy: -172.778247 where: bonds (distance) C4'-P energy: -45.259 bonds (distance) P-C4' energy: -51.288 flat angles C4'-P-C4' energy: -50.169 flat angles P-C4'-P energy: -29.253 tors. eta vs tors. theta energy: 3.191 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: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1079.666338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.666338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.666338 (E_RNA) where: Base-Base interactions energy: -754.378 where: short stacking energy: -306.177 Base-Backbone interact. energy: -0.266 local terms energy: -325.022177 where: bonds (distance) C4'-P energy: -59.466 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -65.784 flat angles P-C4'-P energy: -44.935 tors. eta vs tors. theta energy: -89.780 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: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1073.560795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.560795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.560795 (E_RNA) where: Base-Base interactions energy: -729.988 where: short stacking energy: -323.653 Base-Backbone interact. energy: 0.451 local terms energy: -344.024156 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -65.749 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -93.373 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: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -995.507293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.507293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.507293 (E_RNA) where: Base-Base interactions energy: -662.054 where: short stacking energy: -316.394 Base-Backbone interact. energy: -0.325 local terms energy: -333.127887 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -42.306 tors. eta vs tors. theta energy: -88.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -900.970458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.970458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.970458 (E_RNA) where: Base-Base interactions energy: -603.154 where: short stacking energy: -258.229 Base-Backbone interact. energy: -1.887 local terms energy: -295.929530 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -51.008 flat angles C4'-P-C4' energy: -71.771 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -78.841 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: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -841.102211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.102211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.102211 (E_RNA) where: Base-Base interactions energy: -562.408 where: short stacking energy: -240.717 Base-Backbone interact. energy: -2.299 local terms energy: -276.395454 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -69.823 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -24.166 tors. eta vs tors. theta energy: -57.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -810.395617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.395617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.395617 (E_RNA) where: Base-Base interactions energy: -520.054 where: short stacking energy: -249.812 Base-Backbone interact. energy: -1.940 local terms energy: -288.401464 where: bonds (distance) C4'-P energy: -63.634 bonds (distance) P-C4' energy: -56.625 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -35.223 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: 7, replica: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -699.428538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.428538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.428538 (E_RNA) where: Base-Base interactions energy: -441.205 where: short stacking energy: -203.579 Base-Backbone interact. energy: 1.884 local terms energy: -260.107724 where: bonds (distance) C4'-P energy: -54.078 bonds (distance) P-C4' energy: -59.791 flat angles C4'-P-C4' energy: -69.937 flat angles P-C4'-P energy: -36.650 tors. eta vs tors. theta energy: -39.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -471.686472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.686472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.686472 (E_RNA) where: Base-Base interactions energy: -275.913 where: short stacking energy: -126.348 Base-Backbone interact. energy: 1.204 local terms energy: -196.976950 where: bonds (distance) C4'-P energy: -52.613 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -48.617 flat angles P-C4'-P energy: -25.083 tors. eta vs tors. theta energy: -15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -313.219352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.219352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.219352 (E_RNA) where: Base-Base interactions energy: -135.904 where: short stacking energy: -117.041 Base-Backbone interact. energy: 1.116 local terms energy: -178.431461 where: bonds (distance) C4'-P energy: -37.886 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -58.871 flat angles P-C4'-P energy: -21.922 tors. eta vs tors. theta energy: 0.568 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: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -301.526172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.526172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.526172 (E_RNA) where: Base-Base interactions energy: -120.926 where: short stacking energy: -93.882 Base-Backbone interact. energy: 3.175 local terms energy: -183.775174 where: bonds (distance) C4'-P energy: -45.385 bonds (distance) P-C4' energy: -58.141 flat angles C4'-P-C4' energy: -46.724 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: 5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1091.755538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.755538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.755538 (E_RNA) where: Base-Base interactions energy: -739.964 where: short stacking energy: -306.329 Base-Backbone interact. energy: -3.233 local terms energy: -348.558515 where: bonds (distance) C4'-P energy: -72.250 bonds (distance) P-C4' energy: -58.501 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: -94.454 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: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1064.289554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.289554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.289554 (E_RNA) where: Base-Base interactions energy: -728.732 where: short stacking energy: -323.139 Base-Backbone interact. energy: -1.510 local terms energy: -334.047134 where: bonds (distance) C4'-P energy: -60.984 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -74.840 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -94.128 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: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1022.391459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.391459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.391459 (E_RNA) where: Base-Base interactions energy: -677.058 where: short stacking energy: -295.652 Base-Backbone interact. energy: -2.669 local terms energy: -342.663579 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -59.671 flat angles C4'-P-C4' energy: -84.552 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -79.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -929.976934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.976934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.976934 (E_RNA) where: Base-Base interactions energy: -628.239 where: short stacking energy: -259.195 Base-Backbone interact. energy: -0.724 local terms energy: -301.013879 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -69.026 flat angles C4'-P-C4' energy: -64.337 flat angles P-C4'-P energy: -46.121 tors. eta vs tors. theta energy: -62.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -855.230612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.230612 (E_RNA) where: Base-Base interactions energy: -583.281 where: short stacking energy: -261.437 Base-Backbone interact. energy: 0.072 local terms energy: -272.021013 where: bonds (distance) C4'-P energy: -46.884 bonds (distance) P-C4' energy: -54.831 flat angles C4'-P-C4' energy: -52.906 flat angles P-C4'-P energy: -50.750 tors. eta vs tors. theta energy: -66.651 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -787.945686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.945686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.945686 (E_RNA) where: Base-Base interactions energy: -522.570 where: short stacking energy: -222.863 Base-Backbone interact. energy: -2.526 local terms energy: -262.849077 where: bonds (distance) C4'-P energy: -52.664 bonds (distance) P-C4' energy: -55.788 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -48.217 tors. eta vs tors. theta energy: -47.815 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: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -650.385227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.385227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.385227 (E_RNA) where: Base-Base interactions energy: -407.942 where: short stacking energy: -191.750 Base-Backbone interact. energy: -1.642 local terms energy: -240.801985 where: bonds (distance) C4'-P energy: -64.094 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -44.883 flat angles P-C4'-P energy: -35.916 tors. eta vs tors. theta energy: -35.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -522.952431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.952431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.952431 (E_RNA) where: Base-Base interactions energy: -308.372 where: short stacking energy: -149.318 Base-Backbone interact. energy: 1.481 local terms energy: -216.060790 where: bonds (distance) C4'-P energy: -54.303 bonds (distance) P-C4' energy: -50.895 flat angles C4'-P-C4' energy: -54.414 flat angles P-C4'-P energy: -35.379 tors. eta vs tors. theta energy: -21.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -277.596952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.596952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.596952 (E_RNA) where: Base-Base interactions energy: -105.158 where: short stacking energy: -69.835 Base-Backbone interact. energy: 1.478 local terms energy: -173.916988 where: bonds (distance) C4'-P energy: -56.776 bonds (distance) P-C4' energy: -40.071 flat angles C4'-P-C4' energy: -59.258 flat angles P-C4'-P energy: -28.865 tors. eta vs tors. theta energy: 11.052 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: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -267.258194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.258194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.258194 (E_RNA) where: Base-Base interactions energy: -98.517 where: short stacking energy: -80.767 Base-Backbone interact. energy: 0.358 local terms energy: -169.099671 where: bonds (distance) C4'-P energy: -44.964 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -38.504 flat angles P-C4'-P energy: -36.743 tors. eta vs tors. theta energy: 15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1076.132600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.132600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.132600 (E_RNA) where: Base-Base interactions energy: -729.271 where: short stacking energy: -324.449 Base-Backbone interact. energy: -1.667 local terms energy: -345.194756 where: bonds (distance) C4'-P energy: -67.009 bonds (distance) P-C4' energy: -73.750 flat angles C4'-P-C4' energy: -70.846 flat angles P-C4'-P energy: -40.969 tors. eta vs tors. theta energy: -92.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1051.181407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.181407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.181407 (E_RNA) where: Base-Base interactions energy: -707.687 where: short stacking energy: -320.214 Base-Backbone interact. energy: 1.430 local terms energy: -344.924106 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -70.443 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: -99.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -995.303551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.303551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.303551 (E_RNA) where: Base-Base interactions energy: -664.189 where: short stacking energy: -276.529 Base-Backbone interact. energy: -1.083 local terms energy: -330.031623 where: bonds (distance) C4'-P energy: -59.740 bonds (distance) P-C4' energy: -69.370 flat angles C4'-P-C4' energy: -65.850 flat angles P-C4'-P energy: -51.309 tors. eta vs tors. theta energy: -83.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -959.917315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.917315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.917315 (E_RNA) where: Base-Base interactions energy: -654.302 where: short stacking energy: -285.823 Base-Backbone interact. energy: -0.231 local terms energy: -305.384384 where: bonds (distance) C4'-P energy: -49.659 bonds (distance) P-C4' energy: -64.623 flat angles C4'-P-C4' energy: -64.885 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: -89.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -840.082272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.082272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.082272 (E_RNA) where: Base-Base interactions energy: -550.398 where: short stacking energy: -240.715 Base-Backbone interact. energy: -0.661 local terms energy: -289.023450 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -62.736 flat angles C4'-P-C4' energy: -67.681 flat angles P-C4'-P energy: -46.091 tors. eta vs tors. theta energy: -62.374 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: 140 Temperature: 1.150000 Total energy: -848.599264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.599264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.599264 (E_RNA) where: Base-Base interactions energy: -545.197 where: short stacking energy: -248.178 Base-Backbone interact. energy: -1.679 local terms energy: -301.723509 where: bonds (distance) C4'-P energy: -55.876 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -40.057 tors. eta vs tors. theta energy: -74.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -661.068077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.068077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.068077 (E_RNA) where: Base-Base interactions energy: -404.979 where: short stacking energy: -197.746 Base-Backbone interact. energy: 1.358 local terms energy: -257.446715 where: bonds (distance) C4'-P energy: -54.623 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -57.259 flat angles P-C4'-P energy: -38.037 tors. eta vs tors. theta energy: -42.529 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: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -572.108834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.108834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.108834 (E_RNA) where: Base-Base interactions energy: -330.872 where: short stacking energy: -172.536 Base-Backbone interact. energy: -0.131 local terms energy: -241.105752 where: bonds (distance) C4'-P energy: -51.279 bonds (distance) P-C4' energy: -61.952 flat angles C4'-P-C4' energy: -50.709 flat angles P-C4'-P energy: -35.791 tors. eta vs tors. theta energy: -41.375 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: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -317.584066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.584066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.584066 (E_RNA) where: Base-Base interactions energy: -117.864 where: short stacking energy: -99.747 Base-Backbone interact. energy: 1.249 local terms energy: -200.969230 where: bonds (distance) C4'-P energy: -56.678 bonds (distance) P-C4' energy: -61.948 flat angles C4'-P-C4' energy: -51.068 flat angles P-C4'-P energy: -25.916 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -266.377041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.377041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.377041 (E_RNA) where: Base-Base interactions energy: -116.766 where: short stacking energy: -72.592 Base-Backbone interact. energy: 2.906 local terms energy: -152.516711 where: bonds (distance) C4'-P energy: -53.191 bonds (distance) P-C4' energy: -51.224 flat angles C4'-P-C4' energy: -39.427 flat angles P-C4'-P energy: -26.674 tors. eta vs tors. theta energy: 17.999 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: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1083.256658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.256658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.256658 (E_RNA) where: Base-Base interactions energy: -735.849 where: short stacking energy: -329.881 Base-Backbone interact. energy: -2.501 local terms energy: -344.907224 where: bonds (distance) C4'-P energy: -58.698 bonds (distance) P-C4' energy: -62.717 flat angles C4'-P-C4' energy: -80.177 flat angles P-C4'-P energy: -50.782 tors. eta vs tors. theta energy: -92.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1059.592932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.592932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.592932 (E_RNA) where: Base-Base interactions energy: -712.602 where: short stacking energy: -301.225 Base-Backbone interact. energy: -0.835 local terms energy: -346.155747 where: bonds (distance) C4'-P energy: -63.499 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -75.413 flat angles P-C4'-P energy: -40.908 tors. eta vs tors. theta energy: -94.795 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: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1001.231648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.231648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.231648 (E_RNA) where: Base-Base interactions energy: -662.835 where: short stacking energy: -300.874 Base-Backbone interact. energy: -1.904 local terms energy: -336.492472 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -79.211 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -81.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -940.928663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.928663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.928663 (E_RNA) where: Base-Base interactions energy: -631.263 where: short stacking energy: -270.560 Base-Backbone interact. energy: -1.304 local terms energy: -308.361068 where: bonds (distance) C4'-P energy: -49.369 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -83.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -823.260897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.260897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.260897 (E_RNA) where: Base-Base interactions energy: -533.608 where: short stacking energy: -231.821 Base-Backbone interact. energy: -0.721 local terms energy: -288.932761 where: bonds (distance) C4'-P energy: -59.249 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -39.672 tors. eta vs tors. theta energy: -53.633 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: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -825.777630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.777630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.777630 (E_RNA) where: Base-Base interactions energy: -542.073 where: short stacking energy: -233.554 Base-Backbone interact. energy: -2.914 local terms energy: -280.790528 where: bonds (distance) C4'-P energy: -64.495 bonds (distance) P-C4' energy: -51.929 flat angles C4'-P-C4' energy: -57.159 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -65.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -608.369199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.369199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.369199 (E_RNA) where: Base-Base interactions energy: -378.202 where: short stacking energy: -165.993 Base-Backbone interact. energy: -1.047 local terms energy: -229.120247 where: bonds (distance) C4'-P energy: -48.337 bonds (distance) P-C4' energy: -67.073 flat angles C4'-P-C4' energy: -44.760 flat angles P-C4'-P energy: -35.673 tors. eta vs tors. theta energy: -33.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -564.061540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.061540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.061540 (E_RNA) where: Base-Base interactions energy: -336.535 where: short stacking energy: -176.939 Base-Backbone interact. energy: -1.130 local terms energy: -226.396301 where: bonds (distance) C4'-P energy: -55.798 bonds (distance) P-C4' energy: -58.328 flat angles C4'-P-C4' energy: -52.518 flat angles P-C4'-P energy: -37.034 tors. eta vs tors. theta energy: -22.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -325.164623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.164623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.164623 (E_RNA) where: Base-Base interactions energy: -154.586 where: short stacking energy: -100.732 Base-Backbone interact. energy: -1.555 local terms energy: -169.024046 where: bonds (distance) C4'-P energy: -54.041 bonds (distance) P-C4' energy: -53.950 flat angles C4'-P-C4' energy: -39.071 flat angles P-C4'-P energy: -20.520 tors. eta vs tors. theta energy: -1.442 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: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -280.629897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.629897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.629897 (E_RNA) where: Base-Base interactions energy: -114.787 where: short stacking energy: -76.649 Base-Backbone interact. energy: 6.119 local terms energy: -171.962262 where: bonds (distance) C4'-P energy: -42.110 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -51.783 flat angles P-C4'-P energy: -32.178 tors. eta vs tors. theta energy: 13.084 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: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1097.255220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.255220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.255220 (E_RNA) where: Base-Base interactions energy: -751.112 where: short stacking energy: -324.143 Base-Backbone interact. energy: -0.893 local terms energy: -345.250449 where: bonds (distance) C4'-P energy: -59.753 bonds (distance) P-C4' energy: -65.225 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -47.853 tors. eta vs tors. theta energy: -102.628 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: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1046.682820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.682820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.682820 (E_RNA) where: Base-Base interactions energy: -700.008 where: short stacking energy: -314.742 Base-Backbone interact. energy: -0.524 local terms energy: -346.151015 where: bonds (distance) C4'-P energy: -61.054 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -69.715 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -96.927 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: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1000.563856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.563856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.563856 (E_RNA) where: Base-Base interactions energy: -663.499 where: short stacking energy: -289.892 Base-Backbone interact. energy: -1.358 local terms energy: -335.706506 where: bonds (distance) C4'-P energy: -69.942 bonds (distance) P-C4' energy: -59.089 flat angles C4'-P-C4' energy: -66.643 flat angles P-C4'-P energy: -49.053 tors. eta vs tors. theta energy: -90.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -927.910029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.910029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.910029 (E_RNA) where: Base-Base interactions energy: -620.241 where: short stacking energy: -281.706 Base-Backbone interact. energy: -2.274 local terms energy: -305.395136 where: bonds (distance) C4'-P energy: -56.610 bonds (distance) P-C4' energy: -61.623 flat angles C4'-P-C4' energy: -60.530 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -79.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -806.305395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.305395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.305395 (E_RNA) where: Base-Base interactions energy: -516.456 where: short stacking energy: -234.680 Base-Backbone interact. energy: -1.356 local terms energy: -288.493276 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -62.792 flat angles C4'-P-C4' energy: -66.174 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -59.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -751.222312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.222312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.222312 (E_RNA) where: Base-Base interactions energy: -496.496 where: short stacking energy: -210.269 Base-Backbone interact. energy: -0.749 local terms energy: -253.977068 where: bonds (distance) C4'-P energy: -56.245 bonds (distance) P-C4' energy: -55.460 flat angles C4'-P-C4' energy: -60.168 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -42.473 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: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -588.215491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.215491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.215491 (E_RNA) where: Base-Base interactions energy: -353.094 where: short stacking energy: -184.933 Base-Backbone interact. energy: 1.456 local terms energy: -236.578112 where: bonds (distance) C4'-P energy: -45.916 bonds (distance) P-C4' energy: -64.851 flat angles C4'-P-C4' energy: -50.127 flat angles P-C4'-P energy: -35.243 tors. eta vs tors. theta energy: -40.440 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: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -478.534373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.534373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.534373 (E_RNA) where: Base-Base interactions energy: -263.339 where: short stacking energy: -133.456 Base-Backbone interact. energy: -1.832 local terms energy: -213.363731 where: bonds (distance) C4'-P energy: -54.648 bonds (distance) P-C4' energy: -57.806 flat angles C4'-P-C4' energy: -59.093 flat angles P-C4'-P energy: -34.079 tors. eta vs tors. theta energy: -7.738 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: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -338.845899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.845899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.845899 (E_RNA) where: Base-Base interactions energy: -158.957 where: short stacking energy: -107.611 Base-Backbone interact. energy: -0.905 local terms energy: -178.984665 where: bonds (distance) C4'-P energy: -54.106 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -37.984 flat angles P-C4'-P energy: -28.671 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -283.537743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.537743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.537743 (E_RNA) where: Base-Base interactions energy: -123.856 where: short stacking energy: -87.909 Base-Backbone interact. energy: 5.131 local terms energy: -164.812813 where: bonds (distance) C4'-P energy: -43.725 bonds (distance) P-C4' energy: -54.393 flat angles C4'-P-C4' energy: -50.649 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: 10.069 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: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1091.318333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.318333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.318333 (E_RNA) where: Base-Base interactions energy: -726.518 where: short stacking energy: -324.670 Base-Backbone interact. energy: -2.878 local terms energy: -361.921973 where: bonds (distance) C4'-P energy: -61.350 bonds (distance) P-C4' energy: -67.595 flat angles C4'-P-C4' energy: -77.049 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -100.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1059.542593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.542593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.542593 (E_RNA) where: Base-Base interactions energy: -706.030 where: short stacking energy: -321.300 Base-Backbone interact. energy: -0.705 local terms energy: -352.807021 where: bonds (distance) C4'-P energy: -63.879 bonds (distance) P-C4' energy: -60.396 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -52.723 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: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1018.270254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.270254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.270254 (E_RNA) where: Base-Base interactions energy: -682.764 where: short stacking energy: -309.864 Base-Backbone interact. energy: -1.783 local terms energy: -333.723183 where: bonds (distance) C4'-P energy: -59.715 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -72.978 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -92.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -941.938468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.938468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.938468 (E_RNA) where: Base-Base interactions energy: -646.700 where: short stacking energy: -298.770 Base-Backbone interact. energy: 1.119 local terms energy: -296.357419 where: bonds (distance) C4'-P energy: -48.574 bonds (distance) P-C4' energy: -64.034 flat angles C4'-P-C4' energy: -65.847 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -80.255 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: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -838.402828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.402828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.402828 (E_RNA) where: Base-Base interactions energy: -541.533 where: short stacking energy: -240.205 Base-Backbone interact. energy: -2.284 local terms energy: -294.585628 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -60.221 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -63.439 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: 143 Temperature: 1.150000 Total energy: -760.730339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.730339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.730339 (E_RNA) where: Base-Base interactions energy: -492.354 where: short stacking energy: -229.071 Base-Backbone interact. energy: -0.827 local terms energy: -267.549467 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -55.414 flat angles P-C4'-P energy: -33.433 tors. eta vs tors. theta energy: -56.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -656.867243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.867243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.867243 (E_RNA) where: Base-Base interactions energy: -420.711 where: short stacking energy: -205.707 Base-Backbone interact. energy: 0.171 local terms energy: -236.327079 where: bonds (distance) C4'-P energy: -56.279 bonds (distance) P-C4' energy: -50.192 flat angles C4'-P-C4' energy: -49.275 flat angles P-C4'-P energy: -39.428 tors. eta vs tors. theta energy: -41.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -514.834694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.834694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.834694 (E_RNA) where: Base-Base interactions energy: -286.044 where: short stacking energy: -169.458 Base-Backbone interact. energy: -0.225 local terms energy: -228.565453 where: bonds (distance) C4'-P energy: -45.283 bonds (distance) P-C4' energy: -62.043 flat angles C4'-P-C4' energy: -58.633 flat angles P-C4'-P energy: -29.441 tors. eta vs tors. theta energy: -33.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -346.055645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.055645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.055645 (E_RNA) where: Base-Base interactions energy: -141.030 where: short stacking energy: -99.998 Base-Backbone interact. energy: -0.340 local terms energy: -204.684894 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -49.751 flat angles P-C4'-P energy: -39.048 tors. eta vs tors. theta energy: -0.400 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: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -256.469784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.469784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.469784 (E_RNA) where: Base-Base interactions energy: -88.693 where: short stacking energy: -80.221 Base-Backbone interact. energy: 4.481 local terms energy: -172.257454 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -43.901 flat angles C4'-P-C4' energy: -47.090 flat angles P-C4'-P energy: -34.990 tors. eta vs tors. theta energy: 10.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1091.394521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.394521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.394521 (E_RNA) where: Base-Base interactions energy: -734.510 where: short stacking energy: -325.718 Base-Backbone interact. energy: -2.258 local terms energy: -354.627022 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -62.170 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -49.869 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: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1066.789401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.789401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.789401 (E_RNA) where: Base-Base interactions energy: -717.387 where: short stacking energy: -323.272 Base-Backbone interact. energy: -0.506 local terms energy: -348.896339 where: bonds (distance) C4'-P energy: -60.646 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -73.279 flat angles P-C4'-P energy: -53.918 tors. eta vs tors. theta energy: -93.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -980.288394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.288394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.288394 (E_RNA) where: Base-Base interactions energy: -650.317 where: short stacking energy: -299.693 Base-Backbone interact. energy: 0.788 local terms energy: -330.759085 where: bonds (distance) C4'-P energy: -55.050 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -76.524 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -86.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -953.608222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.608222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.608222 (E_RNA) where: Base-Base interactions energy: -647.518 where: short stacking energy: -275.646 Base-Backbone interact. energy: -2.339 local terms energy: -303.750884 where: bonds (distance) C4'-P energy: -65.621 bonds (distance) P-C4' energy: -54.068 flat angles C4'-P-C4' energy: -63.877 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -83.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -869.878513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.878513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.878513 (E_RNA) where: Base-Base interactions energy: -575.789 where: short stacking energy: -261.730 Base-Backbone interact. energy: -0.115 local terms energy: -293.974130 where: bonds (distance) C4'-P energy: -56.039 bonds (distance) P-C4' energy: -58.934 flat angles C4'-P-C4' energy: -61.907 flat angles P-C4'-P energy: -39.578 tors. eta vs tors. theta energy: -77.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -762.261564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.261564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.261564 (E_RNA) where: Base-Base interactions energy: -505.882 where: short stacking energy: -236.753 Base-Backbone interact. energy: -1.058 local terms energy: -255.321878 where: bonds (distance) C4'-P energy: -53.936 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -60.043 flat angles P-C4'-P energy: -24.553 tors. eta vs tors. theta energy: -56.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -681.963250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.963250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.963250 (E_RNA) where: Base-Base interactions energy: -430.555 where: short stacking energy: -204.881 Base-Backbone interact. energy: -1.318 local terms energy: -250.090177 where: bonds (distance) C4'-P energy: -51.905 bonds (distance) P-C4' energy: -61.761 flat angles C4'-P-C4' energy: -59.585 flat angles P-C4'-P energy: -31.908 tors. eta vs tors. theta energy: -44.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -461.455914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.455914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.455914 (E_RNA) where: Base-Base interactions energy: -262.293 where: short stacking energy: -125.825 Base-Backbone interact. energy: -1.423 local terms energy: -197.739729 where: bonds (distance) C4'-P energy: -46.574 bonds (distance) P-C4' energy: -49.536 flat angles C4'-P-C4' energy: -54.302 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -349.825965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.825965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.825965 (E_RNA) where: Base-Base interactions energy: -142.533 where: short stacking energy: -82.389 Base-Backbone interact. energy: 2.360 local terms energy: -209.653042 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -66.715 flat angles C4'-P-C4' energy: -58.347 flat angles P-C4'-P energy: -26.994 tors. eta vs tors. theta energy: 4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -274.910953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.910953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.910953 (E_RNA) where: Base-Base interactions energy: -100.448 where: short stacking energy: -75.877 Base-Backbone interact. energy: 3.003 local terms energy: -177.465680 where: bonds (distance) C4'-P energy: -52.315 bonds (distance) P-C4' energy: -50.486 flat angles C4'-P-C4' energy: -49.906 flat angles P-C4'-P energy: -25.447 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1073.457447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.457447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.457447 (E_RNA) where: Base-Base interactions energy: -716.963 where: short stacking energy: -326.308 Base-Backbone interact. energy: -0.915 local terms energy: -355.578791 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -72.305 flat angles P-C4'-P energy: -52.749 tors. eta vs tors. theta energy: -96.355 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: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1021.887122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.887122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.887122 (E_RNA) where: Base-Base interactions energy: -674.069 where: short stacking energy: -317.698 Base-Backbone interact. energy: -0.141 local terms energy: -347.676666 where: bonds (distance) C4'-P energy: -64.594 bonds (distance) P-C4' energy: -64.806 flat angles C4'-P-C4' energy: -73.272 flat angles P-C4'-P energy: -45.410 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: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -999.845606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.845606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.845606 (E_RNA) where: Base-Base interactions energy: -656.070 where: short stacking energy: -281.029 Base-Backbone interact. energy: -1.293 local terms energy: -342.482014 where: bonds (distance) C4'-P energy: -56.494 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -53.456 tors. eta vs tors. theta energy: -89.365 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: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -908.320596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.320596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.320596 (E_RNA) where: Base-Base interactions energy: -593.090 where: short stacking energy: -287.880 Base-Backbone interact. energy: -0.468 local terms energy: -314.761955 where: bonds (distance) C4'-P energy: -49.201 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -69.942 flat angles P-C4'-P energy: -40.549 tors. eta vs tors. theta energy: -84.339 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: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -902.893044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.893044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.893044 (E_RNA) where: Base-Base interactions energy: -612.651 where: short stacking energy: -267.214 Base-Backbone interact. energy: -3.354 local terms energy: -286.887725 where: bonds (distance) C4'-P energy: -56.507 bonds (distance) P-C4' energy: -48.176 flat angles C4'-P-C4' energy: -64.364 flat angles P-C4'-P energy: -46.381 tors. eta vs tors. theta energy: -71.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -780.071589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.071589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.071589 (E_RNA) where: Base-Base interactions energy: -520.172 where: short stacking energy: -246.107 Base-Backbone interact. energy: -2.904 local terms energy: -256.995823 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -57.943 flat angles C4'-P-C4' energy: -58.189 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -50.345 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: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -700.917249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.917249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.917249 (E_RNA) where: Base-Base interactions energy: -443.335 where: short stacking energy: -202.120 Base-Backbone interact. energy: 1.421 local terms energy: -259.003344 where: bonds (distance) C4'-P energy: -56.594 bonds (distance) P-C4' energy: -58.848 flat angles C4'-P-C4' energy: -61.569 flat angles P-C4'-P energy: -37.665 tors. eta vs tors. theta energy: -44.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -529.450054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.450054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.450054 (E_RNA) where: Base-Base interactions energy: -288.257 where: short stacking energy: -144.240 Base-Backbone interact. energy: -0.981 local terms energy: -240.212150 where: bonds (distance) C4'-P energy: -49.237 bonds (distance) P-C4' energy: -55.779 flat angles C4'-P-C4' energy: -66.473 flat angles P-C4'-P energy: -36.947 tors. eta vs tors. theta energy: -31.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -325.869706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.869706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.869706 (E_RNA) where: Base-Base interactions energy: -153.743 where: short stacking energy: -94.872 Base-Backbone interact. energy: -1.115 local terms energy: -171.010824 where: bonds (distance) C4'-P energy: -42.772 bonds (distance) P-C4' energy: -53.967 flat angles C4'-P-C4' energy: -47.815 flat angles P-C4'-P energy: -32.976 tors. eta vs tors. theta energy: 6.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -310.906482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.906482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.906482 (E_RNA) where: Base-Base interactions energy: -126.891 where: short stacking energy: -88.079 Base-Backbone interact. energy: -1.863 local terms energy: -182.152241 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -56.162 flat angles C4'-P-C4' energy: -37.205 flat angles P-C4'-P energy: -28.235 tors. eta vs tors. theta energy: 2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1082.094772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.094772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.094772 (E_RNA) where: Base-Base interactions energy: -730.342 where: short stacking energy: -322.707 Base-Backbone interact. energy: -0.626 local terms energy: -351.127082 where: bonds (distance) C4'-P energy: -62.788 bonds (distance) P-C4' energy: -69.077 flat angles C4'-P-C4' energy: -70.536 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -98.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1048.539887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.539887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.539887 (E_RNA) where: Base-Base interactions energy: -693.352 where: short stacking energy: -305.062 Base-Backbone interact. energy: -0.461 local terms energy: -354.727699 where: bonds (distance) C4'-P energy: -69.020 bonds (distance) P-C4' energy: -69.203 flat angles C4'-P-C4' energy: -74.057 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -92.125 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: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1038.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.064408 (E_RNA) where: Base-Base interactions energy: -688.470 where: short stacking energy: -316.826 Base-Backbone interact. energy: -1.480 local terms energy: -348.113619 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -63.635 flat angles C4'-P-C4' energy: -76.881 flat angles P-C4'-P energy: -45.525 tors. eta vs tors. theta energy: -105.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -950.442612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.442612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.442612 (E_RNA) where: Base-Base interactions energy: -627.595 where: short stacking energy: -300.949 Base-Backbone interact. energy: -1.844 local terms energy: -321.003099 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -61.497 flat angles C4'-P-C4' energy: -69.493 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -83.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -878.994945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.994945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.994945 (E_RNA) where: Base-Base interactions energy: -565.441 where: short stacking energy: -261.311 Base-Backbone interact. energy: -1.983 local terms energy: -311.570628 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -75.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -754.219914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.219914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.219914 (E_RNA) where: Base-Base interactions energy: -499.435 where: short stacking energy: -230.818 Base-Backbone interact. energy: -1.996 local terms energy: -252.789346 where: bonds (distance) C4'-P energy: -44.781 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -41.496 tors. eta vs tors. theta energy: -51.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -693.629161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.629161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.629161 (E_RNA) where: Base-Base interactions energy: -446.722 where: short stacking energy: -203.095 Base-Backbone interact. energy: -2.672 local terms energy: -244.234913 where: bonds (distance) C4'-P energy: -41.658 bonds (distance) P-C4' energy: -64.810 flat angles C4'-P-C4' energy: -51.589 flat angles P-C4'-P energy: -35.943 tors. eta vs tors. theta energy: -50.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -587.062297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.062297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.062297 (E_RNA) where: Base-Base interactions energy: -352.902 where: short stacking energy: -178.329 Base-Backbone interact. energy: -0.711 local terms energy: -233.448996 where: bonds (distance) C4'-P energy: -47.632 bonds (distance) P-C4' energy: -59.512 flat angles C4'-P-C4' energy: -49.790 flat angles P-C4'-P energy: -33.684 tors. eta vs tors. theta energy: -42.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -274.033027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.033027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.033027 (E_RNA) where: Base-Base interactions energy: -95.989 where: short stacking energy: -94.714 Base-Backbone interact. energy: -1.608 local terms energy: -176.436852 where: bonds (distance) C4'-P energy: -48.416 bonds (distance) P-C4' energy: -60.542 flat angles C4'-P-C4' energy: -45.661 flat angles P-C4'-P energy: -28.524 tors. eta vs tors. theta energy: 6.705 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: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -278.548863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.548863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.548863 (E_RNA) where: Base-Base interactions energy: -100.288 where: short stacking energy: -77.391 Base-Backbone interact. energy: -1.150 local terms energy: -177.110847 where: bonds (distance) C4'-P energy: -52.429 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -45.577 flat angles P-C4'-P energy: -22.600 tors. eta vs tors. theta energy: 7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1072.856906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.856906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.856906 (E_RNA) where: Base-Base interactions energy: -724.895 where: short stacking energy: -329.030 Base-Backbone interact. energy: -1.317 local terms energy: -346.645067 where: bonds (distance) C4'-P energy: -66.361 bonds (distance) P-C4' energy: -62.724 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -45.136 tors. eta vs tors. theta energy: -99.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1015.253707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.253707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.253707 (E_RNA) where: Base-Base interactions energy: -671.173 where: short stacking energy: -296.164 Base-Backbone interact. energy: -1.331 local terms energy: -342.748984 where: bonds (distance) C4'-P energy: -71.338 bonds (distance) P-C4' energy: -63.260 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -87.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1037.716248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.716248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.716248 (E_RNA) where: Base-Base interactions energy: -709.689 where: short stacking energy: -313.808 Base-Backbone interact. energy: 3.044 local terms energy: -331.071383 where: bonds (distance) C4'-P energy: -54.437 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -68.289 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -100.609 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: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -907.306579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.306579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.306579 (E_RNA) where: Base-Base interactions energy: -602.597 where: short stacking energy: -267.655 Base-Backbone interact. energy: 0.578 local terms energy: -305.287509 where: bonds (distance) C4'-P energy: -54.250 bonds (distance) P-C4' energy: -60.882 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -78.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -930.801836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.801836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.801836 (E_RNA) where: Base-Base interactions energy: -629.040 where: short stacking energy: -281.125 Base-Backbone interact. energy: -3.068 local terms energy: -298.693315 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -57.823 flat angles C4'-P-C4' energy: -64.406 flat angles P-C4'-P energy: -43.332 tors. eta vs tors. theta energy: -81.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -742.286901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.286901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.286901 (E_RNA) where: Base-Base interactions energy: -476.891 where: short stacking energy: -215.531 Base-Backbone interact. energy: -0.342 local terms energy: -265.053312 where: bonds (distance) C4'-P energy: -55.677 bonds (distance) P-C4' energy: -62.483 flat angles C4'-P-C4' energy: -61.081 flat angles P-C4'-P energy: -34.019 tors. eta vs tors. theta energy: -51.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -724.117430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.117430 (E_RNA) where: Base-Base interactions energy: -460.092 where: short stacking energy: -227.594 Base-Backbone interact. energy: -0.201 local terms energy: -263.824658 where: bonds (distance) C4'-P energy: -44.897 bonds (distance) P-C4' energy: -64.702 flat angles C4'-P-C4' energy: -51.366 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -58.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -562.871689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.871689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.871689 (E_RNA) where: Base-Base interactions energy: -323.640 where: short stacking energy: -152.478 Base-Backbone interact. energy: -0.459 local terms energy: -238.772822 where: bonds (distance) C4'-P energy: -59.731 bonds (distance) P-C4' energy: -57.333 flat angles C4'-P-C4' energy: -61.424 flat angles P-C4'-P energy: -33.914 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: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -290.585272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.585272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.585272 (E_RNA) where: Base-Base interactions energy: -102.891 where: short stacking energy: -77.819 Base-Backbone interact. energy: -0.210 local terms energy: -187.484033 where: bonds (distance) C4'-P energy: -50.323 bonds (distance) P-C4' energy: -51.866 flat angles C4'-P-C4' energy: -50.151 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: 10.374 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: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -290.757300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.757300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.757300 (E_RNA) where: Base-Base interactions energy: -94.300 where: short stacking energy: -76.386 Base-Backbone interact. energy: 0.953 local terms energy: -197.409872 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -50.157 flat angles P-C4'-P energy: -29.532 tors. eta vs tors. theta energy: 0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1071.863974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.863974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.863974 (E_RNA) where: Base-Base interactions energy: -722.470 where: short stacking energy: -316.276 Base-Backbone interact. energy: -2.776 local terms energy: -346.617850 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -73.605 flat angles P-C4'-P energy: -44.540 tors. eta vs tors. theta energy: -94.032 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: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1025.834504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.834504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.834504 (E_RNA) where: Base-Base interactions energy: -702.109 where: short stacking energy: -301.935 Base-Backbone interact. energy: 0.291 local terms energy: -324.016307 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -58.554 flat angles C4'-P-C4' energy: -65.370 flat angles P-C4'-P energy: -53.718 tors. eta vs tors. theta energy: -78.552 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: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1056.607760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.607760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.607760 (E_RNA) where: Base-Base interactions energy: -717.108 where: short stacking energy: -323.727 Base-Backbone interact. energy: 1.350 local terms energy: -340.849897 where: bonds (distance) C4'-P energy: -65.373 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -67.768 flat angles P-C4'-P energy: -49.585 tors. eta vs tors. theta energy: -98.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -942.971035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.971035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.971035 (E_RNA) where: Base-Base interactions energy: -641.707 where: short stacking energy: -291.368 Base-Backbone interact. energy: -0.642 local terms energy: -300.622500 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -65.584 flat angles P-C4'-P energy: -38.124 tors. eta vs tors. theta energy: -72.591 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: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -921.395583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.395583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.395583 (E_RNA) where: Base-Base interactions energy: -620.347 where: short stacking energy: -293.308 Base-Backbone interact. energy: -0.219 local terms energy: -300.830179 where: bonds (distance) C4'-P energy: -51.202 bonds (distance) P-C4' energy: -58.807 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -87.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -798.744781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.744781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.744781 (E_RNA) where: Base-Base interactions energy: -524.341 where: short stacking energy: -227.330 Base-Backbone interact. energy: -0.715 local terms energy: -273.688832 where: bonds (distance) C4'-P energy: -55.372 bonds (distance) P-C4' energy: -65.659 flat angles C4'-P-C4' energy: -59.034 flat angles P-C4'-P energy: -35.191 tors. eta vs tors. theta energy: -58.433 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: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -590.725239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.725239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.725239 (E_RNA) where: Base-Base interactions energy: -342.063 where: short stacking energy: -202.895 Base-Backbone interact. energy: 0.433 local terms energy: -249.095315 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -55.870 flat angles C4'-P-C4' energy: -59.583 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -37.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -652.240532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.240532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.240532 (E_RNA) where: Base-Base interactions energy: -406.015 where: short stacking energy: -197.744 Base-Backbone interact. energy: -1.300 local terms energy: -244.925683 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -43.604 tors. eta vs tors. theta energy: -36.976 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: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -303.014380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.014380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.014380 (E_RNA) where: Base-Base interactions energy: -120.153 where: short stacking energy: -81.309 Base-Backbone interact. energy: 1.584 local terms energy: -184.445679 where: bonds (distance) C4'-P energy: -52.809 bonds (distance) P-C4' energy: -52.306 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -36.258 tors. eta vs tors. theta energy: 8.895 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -280.628823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.628823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.628823 (E_RNA) where: Base-Base interactions energy: -104.764 where: short stacking energy: -90.473 Base-Backbone interact. energy: 2.219 local terms energy: -178.084447 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -57.098 flat angles C4'-P-C4' energy: -45.919 flat angles P-C4'-P energy: -20.065 tors. eta vs tors. theta energy: -0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1072.691579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.691579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.691579 (E_RNA) where: Base-Base interactions energy: -709.502 where: short stacking energy: -316.689 Base-Backbone interact. energy: -3.356 local terms energy: -359.833990 where: bonds (distance) C4'-P energy: -66.264 bonds (distance) P-C4' energy: -67.544 flat angles C4'-P-C4' energy: -78.654 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -95.491 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: 6 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1022.765099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.765099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.765099 (E_RNA) where: Base-Base interactions energy: -703.252 where: short stacking energy: -310.720 Base-Backbone interact. energy: 0.304 local terms energy: -319.817291 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -55.018 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -85.615 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: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1033.731298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.731298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.731298 (E_RNA) where: Base-Base interactions energy: -694.205 where: short stacking energy: -294.731 Base-Backbone interact. energy: -2.006 local terms energy: -337.521211 where: bonds (distance) C4'-P energy: -67.816 bonds (distance) P-C4' energy: -65.799 flat angles C4'-P-C4' energy: -72.608 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -87.199 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: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -922.732710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.732710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.732710 (E_RNA) where: Base-Base interactions energy: -620.436 where: short stacking energy: -270.850 Base-Backbone interact. energy: -0.009 local terms energy: -302.287504 where: bonds (distance) C4'-P energy: -60.229 bonds (distance) P-C4' energy: -57.415 flat angles C4'-P-C4' energy: -66.016 flat angles P-C4'-P energy: -42.988 tors. eta vs tors. theta energy: -75.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -927.030474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.030474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.030474 (E_RNA) where: Base-Base interactions energy: -636.933 where: short stacking energy: -288.126 Base-Backbone interact. energy: -2.098 local terms energy: -287.998882 where: bonds (distance) C4'-P energy: -46.151 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -42.788 tors. eta vs tors. theta energy: -82.647 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: 8 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -743.515960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.515960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.515960 (E_RNA) where: Base-Base interactions energy: -482.326 where: short stacking energy: -228.833 Base-Backbone interact. energy: 3.976 local terms energy: -265.165675 where: bonds (distance) C4'-P energy: -53.158 bonds (distance) P-C4' energy: -53.050 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -51.089 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: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -600.556693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.556693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.556693 (E_RNA) where: Base-Base interactions energy: -350.339 where: short stacking energy: -177.147 Base-Backbone interact. energy: 0.138 local terms energy: -250.355327 where: bonds (distance) C4'-P energy: -52.329 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -58.052 flat angles P-C4'-P energy: -39.303 tors. eta vs tors. theta energy: -45.575 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: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -667.456594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.456594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.456594 (E_RNA) where: Base-Base interactions energy: -429.856 where: short stacking energy: -198.608 Base-Backbone interact. energy: -0.914 local terms energy: -236.686437 where: bonds (distance) C4'-P energy: -46.994 bonds (distance) P-C4' energy: -59.045 flat angles C4'-P-C4' energy: -54.324 flat angles P-C4'-P energy: -28.993 tors. eta vs tors. theta energy: -47.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -353.677456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.677456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.677456 (E_RNA) where: Base-Base interactions energy: -153.428 where: short stacking energy: -91.906 Base-Backbone interact. energy: 0.787 local terms energy: -201.036841 where: bonds (distance) C4'-P energy: -56.858 bonds (distance) P-C4' energy: -57.104 flat angles C4'-P-C4' energy: -55.398 flat angles P-C4'-P energy: -34.581 tors. eta vs tors. theta energy: 2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -271.237879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.237879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.237879 (E_RNA) where: Base-Base interactions energy: -81.440 where: short stacking energy: -58.192 Base-Backbone interact. energy: -1.928 local terms energy: -187.870019 where: bonds (distance) C4'-P energy: -56.929 bonds (distance) P-C4' energy: -61.183 flat angles C4'-P-C4' energy: -49.813 flat angles P-C4'-P energy: -28.868 tors. eta vs tors. theta energy: 8.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1076.499377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.499377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.499377 (E_RNA) where: Base-Base interactions energy: -723.129 where: short stacking energy: -318.905 Base-Backbone interact. energy: 1.749 local terms energy: -355.120175 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -80.126 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -95.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1042.596242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.596242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.596242 (E_RNA) where: Base-Base interactions energy: -695.674 where: short stacking energy: -317.807 Base-Backbone interact. energy: -1.200 local terms energy: -345.722219 where: bonds (distance) C4'-P energy: -59.825 bonds (distance) P-C4' energy: -67.454 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -47.834 tors. eta vs tors. theta energy: -99.774 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: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1003.447027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.447027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.447027 (E_RNA) where: Base-Base interactions energy: -673.976 where: short stacking energy: -278.239 Base-Backbone interact. energy: -1.165 local terms energy: -328.306489 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -66.123 flat angles C4'-P-C4' energy: -69.223 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -87.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -907.836667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.836667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.836667 (E_RNA) where: Base-Base interactions energy: -617.659 where: short stacking energy: -265.360 Base-Backbone interact. energy: -0.392 local terms energy: -289.785920 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -62.838 flat angles C4'-P-C4' energy: -58.481 flat angles P-C4'-P energy: -43.190 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: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -887.897811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.897811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.897811 (E_RNA) where: Base-Base interactions energy: -588.628 where: short stacking energy: -264.237 Base-Backbone interact. energy: -0.801 local terms energy: -298.469020 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -55.524 flat angles C4'-P-C4' energy: -65.936 flat angles P-C4'-P energy: -39.709 tors. eta vs tors. theta energy: -74.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -750.119456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.119456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.119456 (E_RNA) where: Base-Base interactions energy: -469.956 where: short stacking energy: -201.260 Base-Backbone interact. energy: -0.923 local terms energy: -279.239968 where: bonds (distance) C4'-P energy: -59.801 bonds (distance) P-C4' energy: -51.552 flat angles C4'-P-C4' energy: -59.377 flat angles P-C4'-P energy: -49.784 tors. eta vs tors. theta energy: -58.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -676.977587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.977587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.977587 (E_RNA) where: Base-Base interactions energy: -417.206 where: short stacking energy: -188.063 Base-Backbone interact. energy: 0.658 local terms energy: -260.428999 where: bonds (distance) C4'-P energy: -61.052 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -58.407 flat angles P-C4'-P energy: -33.812 tors. eta vs tors. theta energy: -48.547 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -529.947315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.947315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.947315 (E_RNA) where: Base-Base interactions energy: -316.002 where: short stacking energy: -154.842 Base-Backbone interact. energy: -0.003 local terms energy: -213.942214 where: bonds (distance) C4'-P energy: -41.428 bonds (distance) P-C4' energy: -62.126 flat angles C4'-P-C4' energy: -57.686 flat angles P-C4'-P energy: -34.800 tors. eta vs tors. theta energy: -17.901 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: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -337.192979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.192979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.192979 (E_RNA) where: Base-Base interactions energy: -161.462 where: short stacking energy: -108.160 Base-Backbone interact. energy: -0.858 local terms energy: -174.873097 where: bonds (distance) C4'-P energy: -54.773 bonds (distance) P-C4' energy: -52.893 flat angles C4'-P-C4' energy: -36.180 flat angles P-C4'-P energy: -31.525 tors. eta vs tors. theta energy: 0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -296.243323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.243323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.243323 (E_RNA) where: Base-Base interactions energy: -116.440 where: short stacking energy: -87.161 Base-Backbone interact. energy: 0.478 local terms energy: -180.281672 where: bonds (distance) C4'-P energy: -62.112 bonds (distance) P-C4' energy: -57.058 flat angles C4'-P-C4' energy: -31.590 flat angles P-C4'-P energy: -29.160 tors. eta vs tors. theta energy: -0.361 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: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1080.654468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.654468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.654468 (E_RNA) where: Base-Base interactions energy: -724.991 where: short stacking energy: -317.153 Base-Backbone interact. energy: -0.534 local terms energy: -355.128951 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -74.791 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -42.353 tors. eta vs tors. theta energy: -97.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1056.502140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.502140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.502140 (E_RNA) where: Base-Base interactions energy: -700.621 where: short stacking energy: -300.522 Base-Backbone interact. energy: -0.251 local terms energy: -355.630426 where: bonds (distance) C4'-P energy: -68.372 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -78.801 flat angles P-C4'-P energy: -47.779 tors. eta vs tors. theta energy: -94.935 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: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1030.044490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.044490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.044490 (E_RNA) where: Base-Base interactions energy: -672.801 where: short stacking energy: -300.954 Base-Backbone interact. energy: -2.847 local terms energy: -354.396384 where: bonds (distance) C4'-P energy: -71.512 bonds (distance) P-C4' energy: -67.457 flat angles C4'-P-C4' energy: -77.171 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -88.365 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -937.900378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.900378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.900378 (E_RNA) where: Base-Base interactions energy: -623.997 where: short stacking energy: -277.512 Base-Backbone interact. energy: -2.489 local terms energy: -311.414021 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -62.366 flat angles C4'-P-C4' energy: -59.899 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -82.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -856.600987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.600987 (E_RNA) where: Base-Base interactions energy: -577.659 where: short stacking energy: -247.181 Base-Backbone interact. energy: -1.789 local terms energy: -277.152962 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -65.399 flat angles P-C4'-P energy: -34.834 tors. eta vs tors. theta energy: -59.365 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: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -760.864894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.864894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.864894 (E_RNA) where: Base-Base interactions energy: -487.440 where: short stacking energy: -229.031 Base-Backbone interact. energy: -2.885 local terms energy: -270.539142 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -51.019 flat angles C4'-P-C4' energy: -57.234 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: -53.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -706.640209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.640209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.640209 (E_RNA) where: Base-Base interactions energy: -420.620 where: short stacking energy: -198.992 Base-Backbone interact. energy: -1.894 local terms energy: -284.125849 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -62.009 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -36.820 tors. eta vs tors. theta energy: -52.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -557.088229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.088229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.088229 (E_RNA) where: Base-Base interactions energy: -328.700 where: short stacking energy: -167.988 Base-Backbone interact. energy: -0.471 local terms energy: -227.917952 where: bonds (distance) C4'-P energy: -47.675 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -52.131 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -29.419 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: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -344.147134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.147134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.147134 (E_RNA) where: Base-Base interactions energy: -128.611 where: short stacking energy: -99.762 Base-Backbone interact. energy: 0.730 local terms energy: -216.266354 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -54.763 flat angles P-C4'-P energy: -25.004 tors. eta vs tors. theta energy: -13.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -294.363266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.363266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.363266 (E_RNA) where: Base-Base interactions energy: -127.135 where: short stacking energy: -90.243 Base-Backbone interact. energy: 0.371 local terms energy: -167.598938 where: bonds (distance) C4'-P energy: -58.113 bonds (distance) P-C4' energy: -55.738 flat angles C4'-P-C4' energy: -34.324 flat angles P-C4'-P energy: -24.806 tors. eta vs tors. theta energy: 5.383 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: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1084.935115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.935115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.935115 (E_RNA) where: Base-Base interactions energy: -734.840 where: short stacking energy: -332.388 Base-Backbone interact. energy: -0.805 local terms energy: -349.289680 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -100.009 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: 152 Temperature: 0.950000 Total energy: -1019.724030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.724030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.724030 (E_RNA) where: Base-Base interactions energy: -677.212 where: short stacking energy: -287.047 Base-Backbone interact. energy: 0.808 local terms energy: -343.319528 where: bonds (distance) C4'-P energy: -68.993 bonds (distance) P-C4' energy: -71.452 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -51.636 tors. eta vs tors. theta energy: -84.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1024.933909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.933909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.933909 (E_RNA) where: Base-Base interactions energy: -693.703 where: short stacking energy: -328.433 Base-Backbone interact. energy: -1.434 local terms energy: -329.796254 where: bonds (distance) C4'-P energy: -53.548 bonds (distance) P-C4' energy: -54.993 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: -100.079 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: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -960.758592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.758592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.758592 (E_RNA) where: Base-Base interactions energy: -657.110 where: short stacking energy: -294.380 Base-Backbone interact. energy: -0.616 local terms energy: -303.032930 where: bonds (distance) C4'-P energy: -50.460 bonds (distance) P-C4' energy: -55.163 flat angles C4'-P-C4' energy: -66.267 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: -84.814 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: 152 Temperature: 1.100000 Total energy: -904.862407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.862407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.862407 (E_RNA) where: Base-Base interactions energy: -604.280 where: short stacking energy: -255.740 Base-Backbone interact. energy: -1.360 local terms energy: -299.222329 where: bonds (distance) C4'-P energy: -53.739 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -64.924 flat angles P-C4'-P energy: -36.284 tors. eta vs tors. theta energy: -70.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -786.134299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.134299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.134299 (E_RNA) where: Base-Base interactions energy: -518.531 where: short stacking energy: -243.705 Base-Backbone interact. energy: -2.282 local terms energy: -265.321637 where: bonds (distance) C4'-P energy: -46.268 bonds (distance) P-C4' energy: -60.698 flat angles C4'-P-C4' energy: -55.063 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -67.558 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: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -684.711596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.711596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.711596 (E_RNA) where: Base-Base interactions energy: -436.375 where: short stacking energy: -207.897 Base-Backbone interact. energy: -1.008 local terms energy: -247.328923 where: bonds (distance) C4'-P energy: -55.283 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -44.457 flat angles P-C4'-P energy: -35.384 tors. eta vs tors. theta energy: -47.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -517.332565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.332565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.332565 (E_RNA) where: Base-Base interactions energy: -298.423 where: short stacking energy: -155.836 Base-Backbone interact. energy: -0.973 local terms energy: -217.936545 where: bonds (distance) C4'-P energy: -55.793 bonds (distance) P-C4' energy: -59.956 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -25.467 tors. eta vs tors. theta energy: -14.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -328.133474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.133474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.133474 (E_RNA) where: Base-Base interactions energy: -146.871 where: short stacking energy: -105.220 Base-Backbone interact. energy: 3.377 local terms energy: -184.639097 where: bonds (distance) C4'-P energy: -53.911 bonds (distance) P-C4' energy: -63.633 flat angles C4'-P-C4' energy: -46.670 flat angles P-C4'-P energy: -15.038 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -269.365257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.365257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.365257 (E_RNA) where: Base-Base interactions energy: -109.507 where: short stacking energy: -85.502 Base-Backbone interact. energy: -0.390 local terms energy: -159.468535 where: bonds (distance) C4'-P energy: -51.965 bonds (distance) P-C4' energy: -39.757 flat angles C4'-P-C4' energy: -37.810 flat angles P-C4'-P energy: -27.912 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1079.030999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.030999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.030999 (E_RNA) where: Base-Base interactions energy: -749.047 where: short stacking energy: -327.647 Base-Backbone interact. energy: -1.688 local terms energy: -328.295164 where: bonds (distance) C4'-P energy: -57.214 bonds (distance) P-C4' energy: -61.477 flat angles C4'-P-C4' energy: -80.346 flat angles P-C4'-P energy: -38.284 tors. eta vs tors. theta energy: -90.974 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: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1068.916552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.916552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.916552 (E_RNA) where: Base-Base interactions energy: -733.829 where: short stacking energy: -346.021 Base-Backbone interact. energy: -3.160 local terms energy: -331.927239 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -52.512 flat angles C4'-P-C4' energy: -77.644 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -93.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -987.368902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.368902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.368902 (E_RNA) where: Base-Base interactions energy: -654.664 where: short stacking energy: -292.696 Base-Backbone interact. energy: -2.381 local terms energy: -330.323771 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -72.282 flat angles P-C4'-P energy: -47.599 tors. eta vs tors. theta energy: -87.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -935.470211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.470211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.470211 (E_RNA) where: Base-Base interactions energy: -629.533 where: short stacking energy: -301.738 Base-Backbone interact. energy: 2.303 local terms energy: -308.240594 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -66.370 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: -82.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -926.298933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.298933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.298933 (E_RNA) where: Base-Base interactions energy: -613.469 where: short stacking energy: -288.859 Base-Backbone interact. energy: -1.690 local terms energy: -311.140082 where: bonds (distance) C4'-P energy: -52.523 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -82.894 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: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -764.176397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.176397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.176397 (E_RNA) where: Base-Base interactions energy: -504.758 where: short stacking energy: -228.825 Base-Backbone interact. energy: -1.102 local terms energy: -258.316747 where: bonds (distance) C4'-P energy: -53.415 bonds (distance) P-C4' energy: -60.146 flat angles C4'-P-C4' energy: -54.649 flat angles P-C4'-P energy: -40.185 tors. eta vs tors. theta energy: -49.922 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: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -684.963401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.963401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.963401 (E_RNA) where: Base-Base interactions energy: -427.317 where: short stacking energy: -206.412 Base-Backbone interact. energy: -1.421 local terms energy: -256.225877 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -57.521 flat angles C4'-P-C4' energy: -59.944 flat angles P-C4'-P energy: -35.479 tors. eta vs tors. theta energy: -41.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -483.179604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.179604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.179604 (E_RNA) where: Base-Base interactions energy: -251.464 where: short stacking energy: -143.079 Base-Backbone interact. energy: -1.056 local terms energy: -230.659970 where: bonds (distance) C4'-P energy: -49.615 bonds (distance) P-C4' energy: -57.305 flat angles C4'-P-C4' energy: -56.020 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -25.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -354.548273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.548273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.548273 (E_RNA) where: Base-Base interactions energy: -169.242 where: short stacking energy: -106.452 Base-Backbone interact. energy: -1.608 local terms energy: -183.697853 where: bonds (distance) C4'-P energy: -49.829 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -44.097 flat angles P-C4'-P energy: -22.630 tors. eta vs tors. theta energy: -7.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -276.452404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.452404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.452404 (E_RNA) where: Base-Base interactions energy: -90.315 where: short stacking energy: -70.024 Base-Backbone interact. energy: 4.015 local terms energy: -190.152263 where: bonds (distance) C4'-P energy: -59.763 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -51.520 flat angles P-C4'-P energy: -26.452 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: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1088.648452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.648452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.648452 (E_RNA) where: Base-Base interactions energy: -729.963 where: short stacking energy: -313.381 Base-Backbone interact. energy: -3.042 local terms energy: -355.644001 where: bonds (distance) C4'-P energy: -68.746 bonds (distance) P-C4' energy: -73.291 flat angles C4'-P-C4' energy: -72.824 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -97.856 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: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1049.943296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.943296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.943296 (E_RNA) where: Base-Base interactions energy: -714.901 where: short stacking energy: -322.861 Base-Backbone interact. energy: -0.554 local terms energy: -334.488618 where: bonds (distance) C4'-P energy: -66.231 bonds (distance) P-C4' energy: -56.880 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -45.821 tors. eta vs tors. theta energy: -92.739 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: 154 Temperature: 1.000000 Total energy: -987.081063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.081063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.081063 (E_RNA) where: Base-Base interactions energy: -663.163 where: short stacking energy: -306.780 Base-Backbone interact. energy: -0.389 local terms energy: -323.528442 where: bonds (distance) C4'-P energy: -53.109 bonds (distance) P-C4' energy: -72.255 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -39.538 tors. eta vs tors. theta energy: -93.866 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -963.137469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.137469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.137469 (E_RNA) where: Base-Base interactions energy: -654.815 where: short stacking energy: -286.537 Base-Backbone interact. energy: -1.051 local terms energy: -307.270896 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -55.445 flat angles C4'-P-C4' energy: -76.704 flat angles P-C4'-P energy: -41.236 tors. eta vs tors. theta energy: -80.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -922.183592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.183592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.183592 (E_RNA) where: Base-Base interactions energy: -608.208 where: short stacking energy: -242.473 Base-Backbone interact. energy: -0.334 local terms energy: -313.642069 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -68.979 flat angles C4'-P-C4' energy: -72.682 flat angles P-C4'-P energy: -36.907 tors. eta vs tors. theta energy: -65.818 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: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -789.075147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.075147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.075147 (E_RNA) where: Base-Base interactions energy: -519.858 where: short stacking energy: -238.324 Base-Backbone interact. energy: 1.805 local terms energy: -271.022059 where: bonds (distance) C4'-P energy: -61.868 bonds (distance) P-C4' energy: -61.945 flat angles C4'-P-C4' energy: -57.871 flat angles P-C4'-P energy: -29.124 tors. eta vs tors. theta energy: -60.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -685.801518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.801518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.801518 (E_RNA) where: Base-Base interactions energy: -425.119 where: short stacking energy: -205.594 Base-Backbone interact. energy: -0.362 local terms energy: -260.320453 where: bonds (distance) C4'-P energy: -59.990 bonds (distance) P-C4' energy: -50.822 flat angles C4'-P-C4' energy: -60.316 flat angles P-C4'-P energy: -37.018 tors. eta vs tors. theta energy: -52.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -491.501593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.501593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.501593 (E_RNA) where: Base-Base interactions energy: -273.422 where: short stacking energy: -127.790 Base-Backbone interact. energy: -0.794 local terms energy: -217.285337 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -56.884 flat angles C4'-P-C4' energy: -46.475 flat angles P-C4'-P energy: -35.292 tors. eta vs tors. theta energy: -17.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -285.768670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.768670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.768670 (E_RNA) where: Base-Base interactions energy: -81.122 where: short stacking energy: -73.347 Base-Backbone interact. energy: -0.562 local terms energy: -204.085021 where: bonds (distance) C4'-P energy: -51.796 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -56.887 flat angles P-C4'-P energy: -29.075 tors. eta vs tors. theta energy: 2.459 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: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -263.714242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.714242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.714242 (E_RNA) where: Base-Base interactions energy: -87.975 where: short stacking energy: -67.287 Base-Backbone interact. energy: -0.820 local terms energy: -174.919288 where: bonds (distance) C4'-P energy: -50.016 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -51.539 flat angles P-C4'-P energy: -33.279 tors. eta vs tors. theta energy: 11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1093.595806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.595806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.595806 (E_RNA) where: Base-Base interactions energy: -734.481 where: short stacking energy: -323.207 Base-Backbone interact. energy: -4.488 local terms energy: -354.626864 where: bonds (distance) C4'-P energy: -60.648 bonds (distance) P-C4' energy: -64.658 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -52.966 tors. eta vs tors. theta energy: -103.304 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1067.894651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.894651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.894651 (E_RNA) where: Base-Base interactions energy: -720.755 where: short stacking energy: -323.961 Base-Backbone interact. energy: -1.009 local terms energy: -346.131110 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -67.581 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -98.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -988.820045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.820045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.820045 (E_RNA) where: Base-Base interactions energy: -663.256 where: short stacking energy: -309.978 Base-Backbone interact. energy: -1.793 local terms energy: -323.771093 where: bonds (distance) C4'-P energy: -58.263 bonds (distance) P-C4' energy: -67.894 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -88.097 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: 155 Temperature: 1.050000 Total energy: -988.267483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.267483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.267483 (E_RNA) where: Base-Base interactions energy: -663.119 where: short stacking energy: -300.936 Base-Backbone interact. energy: 0.082 local terms energy: -325.230687 where: bonds (distance) C4'-P energy: -53.023 bonds (distance) P-C4' energy: -56.150 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -61.238 tors. eta vs tors. theta energy: -85.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -872.206940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.206940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.206940 (E_RNA) where: Base-Base interactions energy: -577.359 where: short stacking energy: -246.221 Base-Backbone interact. energy: -1.647 local terms energy: -293.200636 where: bonds (distance) C4'-P energy: -53.222 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -61.896 flat angles P-C4'-P energy: -39.269 tors. eta vs tors. theta energy: -72.212 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: 155 Temperature: 1.150000 Total energy: -787.089249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.089249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.089249 (E_RNA) where: Base-Base interactions energy: -515.625 where: short stacking energy: -239.184 Base-Backbone interact. energy: -1.486 local terms energy: -269.978571 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -47.142 flat angles C4'-P-C4' energy: -66.258 flat angles P-C4'-P energy: -39.530 tors. eta vs tors. theta energy: -52.397 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: 155 Temperature: 1.200000 Total energy: -684.691881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.691881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.691881 (E_RNA) where: Base-Base interactions energy: -435.028 where: short stacking energy: -196.142 Base-Backbone interact. energy: -0.768 local terms energy: -248.895791 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -45.807 flat angles C4'-P-C4' energy: -48.373 flat angles P-C4'-P energy: -39.393 tors. eta vs tors. theta energy: -53.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -470.545835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.545835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.545835 (E_RNA) where: Base-Base interactions energy: -273.090 where: short stacking energy: -134.755 Base-Backbone interact. energy: -1.082 local terms energy: -196.374599 where: bonds (distance) C4'-P energy: -49.853 bonds (distance) P-C4' energy: -49.967 flat angles C4'-P-C4' energy: -49.452 flat angles P-C4'-P energy: -32.164 tors. eta vs tors. theta energy: -14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -328.122496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.122496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.122496 (E_RNA) where: Base-Base interactions energy: -135.238 where: short stacking energy: -120.206 Base-Backbone interact. energy: 5.256 local terms energy: -198.140587 where: bonds (distance) C4'-P energy: -57.899 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -45.327 flat angles P-C4'-P energy: -24.557 tors. eta vs tors. theta energy: -6.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -274.180880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.180880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.180880 (E_RNA) where: Base-Base interactions energy: -105.650 where: short stacking energy: -76.163 Base-Backbone interact. energy: -0.911 local terms energy: -167.620479 where: bonds (distance) C4'-P energy: -39.705 bonds (distance) P-C4' energy: -55.727 flat angles C4'-P-C4' energy: -55.856 flat angles P-C4'-P energy: -25.995 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: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1115.714179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.714179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.714179 (E_RNA) where: Base-Base interactions energy: -760.942 where: short stacking energy: -331.139 Base-Backbone interact. energy: -0.892 local terms energy: -353.879465 where: bonds (distance) C4'-P energy: -68.812 bonds (distance) P-C4' energy: -61.667 flat angles C4'-P-C4' energy: -69.998 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: -103.758 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: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1044.152764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.152764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.152764 (E_RNA) where: Base-Base interactions energy: -697.761 where: short stacking energy: -299.801 Base-Backbone interact. energy: -1.761 local terms energy: -344.630293 where: bonds (distance) C4'-P energy: -57.595 bonds (distance) P-C4' energy: -67.745 flat angles C4'-P-C4' energy: -69.319 flat angles P-C4'-P energy: -51.855 tors. eta vs tors. theta energy: -98.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -967.406763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.406763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.406763 (E_RNA) where: Base-Base interactions energy: -633.880 where: short stacking energy: -301.084 Base-Backbone interact. energy: 0.238 local terms energy: -333.764718 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -60.271 flat angles C4'-P-C4' energy: -70.578 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -96.451 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: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -992.702618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.702618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.702618 (E_RNA) where: Base-Base interactions energy: -685.659 where: short stacking energy: -318.501 Base-Backbone interact. energy: 1.014 local terms energy: -308.057823 where: bonds (distance) C4'-P energy: -52.758 bonds (distance) P-C4' energy: -53.885 flat angles C4'-P-C4' energy: -67.508 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -88.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -863.773572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.773572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.773572 (E_RNA) where: Base-Base interactions energy: -574.637 where: short stacking energy: -243.100 Base-Backbone interact. energy: -0.930 local terms energy: -288.206677 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -36.618 tors. eta vs tors. theta energy: -72.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -790.371627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.371627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.371627 (E_RNA) where: Base-Base interactions energy: -526.814 where: short stacking energy: -248.699 Base-Backbone interact. energy: 0.287 local terms energy: -263.845062 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -54.601 flat angles C4'-P-C4' energy: -66.048 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -50.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -687.003907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.003907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.003907 (E_RNA) where: Base-Base interactions energy: -430.813 where: short stacking energy: -189.711 Base-Backbone interact. energy: -1.575 local terms energy: -254.615963 where: bonds (distance) C4'-P energy: -40.472 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -66.080 flat angles P-C4'-P energy: -37.433 tors. eta vs tors. theta energy: -49.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -507.241598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.241598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.241598 (E_RNA) where: Base-Base interactions energy: -290.372 where: short stacking energy: -160.497 Base-Backbone interact. energy: -2.808 local terms energy: -214.062228 where: bonds (distance) C4'-P energy: -48.138 bonds (distance) P-C4' energy: -50.861 flat angles C4'-P-C4' energy: -53.537 flat angles P-C4'-P energy: -35.130 tors. eta vs tors. theta energy: -26.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -357.436439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.436439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.436439 (E_RNA) where: Base-Base interactions energy: -152.854 where: short stacking energy: -109.802 Base-Backbone interact. energy: -0.836 local terms energy: -203.746258 where: bonds (distance) C4'-P energy: -53.781 bonds (distance) P-C4' energy: -59.274 flat angles C4'-P-C4' energy: -47.134 flat angles P-C4'-P energy: -32.384 tors. eta vs tors. theta energy: -11.174 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: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -283.826506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.826506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.826506 (E_RNA) where: Base-Base interactions energy: -94.089 where: short stacking energy: -71.776 Base-Backbone interact. energy: -1.013 local terms energy: -188.724820 where: bonds (distance) C4'-P energy: -57.158 bonds (distance) P-C4' energy: -61.099 flat angles C4'-P-C4' energy: -58.099 flat angles P-C4'-P energy: -17.316 tors. eta vs tors. theta energy: 4.947 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: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1113.984918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.984918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.984918 (E_RNA) where: Base-Base interactions energy: -754.200 where: short stacking energy: -328.842 Base-Backbone interact. energy: -3.468 local terms energy: -356.317250 where: bonds (distance) C4'-P energy: -63.273 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -71.588 flat angles P-C4'-P energy: -39.174 tors. eta vs tors. theta energy: -108.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1048.847097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.847097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.847097 (E_RNA) where: Base-Base interactions energy: -716.558 where: short stacking energy: -300.860 Base-Backbone interact. energy: -2.437 local terms energy: -329.851890 where: bonds (distance) C4'-P energy: -57.930 bonds (distance) P-C4' energy: -61.045 flat angles C4'-P-C4' energy: -71.921 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -92.774 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: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -962.629163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.629163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.629163 (E_RNA) where: Base-Base interactions energy: -642.537 where: short stacking energy: -296.970 Base-Backbone interact. energy: 0.928 local terms energy: -321.020663 where: bonds (distance) C4'-P energy: -60.059 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -94.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -990.902765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.902765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.902765 (E_RNA) where: Base-Base interactions energy: -693.027 where: short stacking energy: -304.529 Base-Backbone interact. energy: 0.576 local terms energy: -298.451131 where: bonds (distance) C4'-P energy: -48.872 bonds (distance) P-C4' energy: -52.134 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -75.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -849.829759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.829759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.829759 (E_RNA) where: Base-Base interactions energy: -563.931 where: short stacking energy: -256.218 Base-Backbone interact. energy: -0.916 local terms energy: -284.983550 where: bonds (distance) C4'-P energy: -54.291 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -61.696 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -66.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -757.441168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.441168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.441168 (E_RNA) where: Base-Base interactions energy: -502.611 where: short stacking energy: -227.612 Base-Backbone interact. energy: 0.190 local terms energy: -255.020181 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -48.091 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -33.979 tors. eta vs tors. theta energy: -61.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -691.287460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.287460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.287460 (E_RNA) where: Base-Base interactions energy: -437.787 where: short stacking energy: -206.352 Base-Backbone interact. energy: 1.705 local terms energy: -255.205488 where: bonds (distance) C4'-P energy: -50.282 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -48.302 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -46.889 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -507.734066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.734066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.734066 (E_RNA) where: Base-Base interactions energy: -285.138 where: short stacking energy: -148.979 Base-Backbone interact. energy: 0.235 local terms energy: -222.830371 where: bonds (distance) C4'-P energy: -58.166 bonds (distance) P-C4' energy: -53.757 flat angles C4'-P-C4' energy: -51.819 flat angles P-C4'-P energy: -40.657 tors. eta vs tors. theta energy: -18.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -341.042673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.042673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.042673 (E_RNA) where: Base-Base interactions energy: -147.470 where: short stacking energy: -96.419 Base-Backbone interact. energy: 1.669 local terms energy: -195.241906 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -56.698 flat angles C4'-P-C4' energy: -48.692 flat angles P-C4'-P energy: -24.559 tors. eta vs tors. theta energy: -8.213 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: 10, replica: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -288.223514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.223514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.223514 (E_RNA) where: Base-Base interactions energy: -105.078 where: short stacking energy: -85.664 Base-Backbone interact. energy: -0.628 local terms energy: -182.517338 where: bonds (distance) C4'-P energy: -47.606 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -49.418 flat angles P-C4'-P energy: -24.091 tors. eta vs tors. theta energy: -1.559 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: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1102.426202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.426202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.426202 (E_RNA) where: Base-Base interactions energy: -754.114 where: short stacking energy: -347.340 Base-Backbone interact. energy: -4.667 local terms energy: -343.645379 where: bonds (distance) C4'-P energy: -61.070 bonds (distance) P-C4' energy: -58.015 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -105.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1048.992948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.992948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.992948 (E_RNA) where: Base-Base interactions energy: -706.621 where: short stacking energy: -301.233 Base-Backbone interact. energy: -3.200 local terms energy: -339.172000 where: bonds (distance) C4'-P energy: -65.482 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -71.484 flat angles P-C4'-P energy: -40.060 tors. eta vs tors. theta energy: -94.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -998.556413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.556413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.556413 (E_RNA) where: Base-Base interactions energy: -651.021 where: short stacking energy: -312.818 Base-Backbone interact. energy: -2.190 local terms energy: -345.345701 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: -99.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -919.743601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.743601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.743601 (E_RNA) where: Base-Base interactions energy: -614.722 where: short stacking energy: -263.732 Base-Backbone interact. energy: 2.164 local terms energy: -307.185789 where: bonds (distance) C4'-P energy: -56.736 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -65.782 flat angles P-C4'-P energy: -39.734 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: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -867.996074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.996074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.996074 (E_RNA) where: Base-Base interactions energy: -583.009 where: short stacking energy: -255.361 Base-Backbone interact. energy: 0.898 local terms energy: -285.884512 where: bonds (distance) C4'-P energy: -65.865 bonds (distance) P-C4' energy: -51.892 flat angles C4'-P-C4' energy: -61.833 flat angles P-C4'-P energy: -39.060 tors. eta vs tors. theta energy: -67.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -771.263484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.263484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.263484 (E_RNA) where: Base-Base interactions energy: -510.726 where: short stacking energy: -206.202 Base-Backbone interact. energy: 5.213 local terms energy: -265.750769 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -59.588 flat angles C4'-P-C4' energy: -62.714 flat angles P-C4'-P energy: -37.283 tors. eta vs tors. theta energy: -41.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -716.262208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.262208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.262208 (E_RNA) where: Base-Base interactions energy: -450.856 where: short stacking energy: -226.887 Base-Backbone interact. energy: -0.194 local terms energy: -265.211788 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -60.601 flat angles P-C4'-P energy: -30.119 tors. eta vs tors. theta energy: -57.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -473.572629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.572629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.572629 (E_RNA) where: Base-Base interactions energy: -265.617 where: short stacking energy: -127.952 Base-Backbone interact. energy: -0.529 local terms energy: -207.426977 where: bonds (distance) C4'-P energy: -48.732 bonds (distance) P-C4' energy: -52.632 flat angles C4'-P-C4' energy: -48.630 flat angles P-C4'-P energy: -29.909 tors. eta vs tors. theta energy: -27.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -345.428904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.428904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.428904 (E_RNA) where: Base-Base interactions energy: -159.035 where: short stacking energy: -97.859 Base-Backbone interact. energy: -1.711 local terms energy: -184.682840 where: bonds (distance) C4'-P energy: -48.411 bonds (distance) P-C4' energy: -49.636 flat angles C4'-P-C4' energy: -49.057 flat angles P-C4'-P energy: -29.523 tors. eta vs tors. theta energy: -8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -266.092497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.092497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.092497 (E_RNA) where: Base-Base interactions energy: -70.412 where: short stacking energy: -64.568 Base-Backbone interact. energy: -1.454 local terms energy: -194.226404 where: bonds (distance) C4'-P energy: -46.480 bonds (distance) P-C4' energy: -74.106 flat angles C4'-P-C4' energy: -36.569 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1099.487308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.487308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.487308 (E_RNA) where: Base-Base interactions energy: -735.806 where: short stacking energy: -324.508 Base-Backbone interact. energy: -1.904 local terms energy: -361.776503 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -74.575 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -102.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1042.907265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.907265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.907265 (E_RNA) where: Base-Base interactions energy: -692.130 where: short stacking energy: -316.905 Base-Backbone interact. energy: -1.482 local terms energy: -349.295552 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -69.148 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -97.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -996.203549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.203549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.203549 (E_RNA) where: Base-Base interactions energy: -663.789 where: short stacking energy: -315.489 Base-Backbone interact. energy: -1.088 local terms energy: -331.326987 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -73.348 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -88.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -932.745698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.745698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.745698 (E_RNA) where: Base-Base interactions energy: -618.891 where: short stacking energy: -279.183 Base-Backbone interact. energy: -1.055 local terms energy: -312.800291 where: bonds (distance) C4'-P energy: -56.448 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -45.801 tors. eta vs tors. theta energy: -77.977 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: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -850.091943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.091943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.091943 (E_RNA) where: Base-Base interactions energy: -579.817 where: short stacking energy: -252.396 Base-Backbone interact. energy: -2.504 local terms energy: -267.771053 where: bonds (distance) C4'-P energy: -53.183 bonds (distance) P-C4' energy: -49.614 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -35.047 tors. eta vs tors. theta energy: -64.336 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: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -757.814352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.814352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.814352 (E_RNA) where: Base-Base interactions energy: -476.199 where: short stacking energy: -227.918 Base-Backbone interact. energy: -0.325 local terms energy: -281.290446 where: bonds (distance) C4'-P energy: -66.182 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -59.601 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -55.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -683.456655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.456655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.456655 (E_RNA) where: Base-Base interactions energy: -449.074 where: short stacking energy: -176.380 Base-Backbone interact. energy: 1.966 local terms energy: -236.349103 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -48.153 flat angles C4'-P-C4' energy: -56.414 flat angles P-C4'-P energy: -31.263 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -504.051544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.051544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.051544 (E_RNA) where: Base-Base interactions energy: -283.934 where: short stacking energy: -157.310 Base-Backbone interact. energy: -1.650 local terms energy: -218.467655 where: bonds (distance) C4'-P energy: -56.785 bonds (distance) P-C4' energy: -46.283 flat angles C4'-P-C4' energy: -67.630 flat angles P-C4'-P energy: -37.045 tors. eta vs tors. theta energy: -10.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -306.174693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.174693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.174693 (E_RNA) where: Base-Base interactions energy: -100.402 where: short stacking energy: -84.895 Base-Backbone interact. energy: -1.173 local terms energy: -204.600297 where: bonds (distance) C4'-P energy: -64.271 bonds (distance) P-C4' energy: -51.728 flat angles C4'-P-C4' energy: -60.771 flat angles P-C4'-P energy: -30.081 tors. eta vs tors. theta energy: 2.251 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: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -280.172487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.172487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.172487 (E_RNA) where: Base-Base interactions energy: -104.239 where: short stacking energy: -73.722 Base-Backbone interact. energy: 0.373 local terms energy: -176.306435 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -54.210 flat angles C4'-P-C4' energy: -51.185 flat angles P-C4'-P energy: -17.335 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1096.505087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.505087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.505087 (E_RNA) where: Base-Base interactions energy: -735.118 where: short stacking energy: -328.114 Base-Backbone interact. energy: -0.774 local terms energy: -360.612267 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -67.182 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -50.764 tors. eta vs tors. theta energy: -96.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1038.260681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.260681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.260681 (E_RNA) where: Base-Base interactions energy: -705.434 where: short stacking energy: -308.562 Base-Backbone interact. energy: -1.808 local terms energy: -331.018765 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -53.166 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -98.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -998.400257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.400257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.400257 (E_RNA) where: Base-Base interactions energy: -675.544 where: short stacking energy: -293.032 Base-Backbone interact. energy: -0.365 local terms energy: -322.491597 where: bonds (distance) C4'-P energy: -61.149 bonds (distance) P-C4' energy: -60.102 flat angles C4'-P-C4' energy: -70.320 flat angles P-C4'-P energy: -46.715 tors. eta vs tors. theta energy: -84.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -944.731636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.731636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.731636 (E_RNA) where: Base-Base interactions energy: -633.422 where: short stacking energy: -288.934 Base-Backbone interact. energy: -0.149 local terms energy: -311.160455 where: bonds (distance) C4'-P energy: -43.612 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -59.174 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -90.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -850.086231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.086231 (E_RNA) where: Base-Base interactions energy: -570.304 where: short stacking energy: -247.116 Base-Backbone interact. energy: -0.672 local terms energy: -279.110522 where: bonds (distance) C4'-P energy: -53.196 bonds (distance) P-C4' energy: -52.939 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -38.430 tors. eta vs tors. theta energy: -67.428 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: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -744.618571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.618571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.618571 (E_RNA) where: Base-Base interactions energy: -484.046 where: short stacking energy: -228.696 Base-Backbone interact. energy: 0.656 local terms energy: -261.228493 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -53.627 flat angles C4'-P-C4' energy: -55.819 flat angles P-C4'-P energy: -36.366 tors. eta vs tors. theta energy: -54.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -707.112576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.112576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.112576 (E_RNA) where: Base-Base interactions energy: -443.724 where: short stacking energy: -197.764 Base-Backbone interact. energy: -0.556 local terms energy: -262.832109 where: bonds (distance) C4'-P energy: -56.570 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -68.770 flat angles P-C4'-P energy: -35.802 tors. eta vs tors. theta energy: -40.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -475.336179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.336179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.336179 (E_RNA) where: Base-Base interactions energy: -245.786 where: short stacking energy: -131.836 Base-Backbone interact. energy: 1.271 local terms energy: -230.821085 where: bonds (distance) C4'-P energy: -44.290 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: -23.896 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: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -309.146516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.146516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.146516 (E_RNA) where: Base-Base interactions energy: -124.071 where: short stacking energy: -117.059 Base-Backbone interact. energy: -1.013 local terms energy: -184.061607 where: bonds (distance) C4'-P energy: -51.969 bonds (distance) P-C4' energy: -54.265 flat angles C4'-P-C4' energy: -48.507 flat angles P-C4'-P energy: -31.063 tors. eta vs tors. theta energy: 1.743 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: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -272.844635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.844635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.844635 (E_RNA) where: Base-Base interactions energy: -106.450 where: short stacking energy: -85.175 Base-Backbone interact. energy: 0.575 local terms energy: -166.969913 where: bonds (distance) C4'-P energy: -58.827 bonds (distance) P-C4' energy: -42.713 flat angles C4'-P-C4' energy: -42.001 flat angles P-C4'-P energy: -28.903 tors. eta vs tors. theta energy: 5.475 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: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1092.827921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.827921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.827921 (E_RNA) where: Base-Base interactions energy: -746.130 where: short stacking energy: -336.330 Base-Backbone interact. energy: -1.974 local terms energy: -344.724478 where: bonds (distance) C4'-P energy: -71.493 bonds (distance) P-C4' energy: -64.436 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -41.912 tors. eta vs tors. theta energy: -99.784 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: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1031.776843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.776843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.776843 (E_RNA) where: Base-Base interactions energy: -709.190 where: short stacking energy: -304.598 Base-Backbone interact. energy: 0.686 local terms energy: -323.273261 where: bonds (distance) C4'-P energy: -62.318 bonds (distance) P-C4' energy: -55.983 flat angles C4'-P-C4' energy: -73.410 flat angles P-C4'-P energy: -41.155 tors. eta vs tors. theta energy: -90.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -991.250663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.250663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.250663 (E_RNA) where: Base-Base interactions energy: -652.103 where: short stacking energy: -284.777 Base-Backbone interact. energy: 0.404 local terms energy: -339.551894 where: bonds (distance) C4'-P energy: -70.851 bonds (distance) P-C4' energy: -61.835 flat angles C4'-P-C4' energy: -76.096 flat angles P-C4'-P energy: -46.598 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -908.749092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.749092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.749092 (E_RNA) where: Base-Base interactions energy: -583.650 where: short stacking energy: -260.959 Base-Backbone interact. energy: -2.964 local terms energy: -322.134816 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -68.159 flat angles C4'-P-C4' energy: -72.533 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -74.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -890.957742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.957742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.957742 (E_RNA) where: Base-Base interactions energy: -577.728 where: short stacking energy: -285.669 Base-Backbone interact. energy: -1.380 local terms energy: -311.850054 where: bonds (distance) C4'-P energy: -54.355 bonds (distance) P-C4' energy: -64.256 flat angles C4'-P-C4' energy: -70.043 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -75.900 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: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -738.524931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.524931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.524931 (E_RNA) where: Base-Base interactions energy: -463.038 where: short stacking energy: -221.516 Base-Backbone interact. energy: -3.072 local terms energy: -272.414571 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -58.093 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -52.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -661.643486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.643486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.643486 (E_RNA) where: Base-Base interactions energy: -416.752 where: short stacking energy: -198.563 Base-Backbone interact. energy: -0.158 local terms energy: -244.733230 where: bonds (distance) C4'-P energy: -55.013 bonds (distance) P-C4' energy: -50.015 flat angles C4'-P-C4' energy: -54.011 flat angles P-C4'-P energy: -39.170 tors. eta vs tors. theta energy: -46.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -473.518262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.518262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.518262 (E_RNA) where: Base-Base interactions energy: -262.913 where: short stacking energy: -143.076 Base-Backbone interact. energy: 2.619 local terms energy: -213.223590 where: bonds (distance) C4'-P energy: -55.418 bonds (distance) P-C4' energy: -57.741 flat angles C4'-P-C4' energy: -62.780 flat angles P-C4'-P energy: -23.936 tors. eta vs tors. theta energy: -13.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -329.660683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.660683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.660683 (E_RNA) where: Base-Base interactions energy: -120.137 where: short stacking energy: -98.620 Base-Backbone interact. energy: 0.349 local terms energy: -209.873246 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -53.048 flat angles C4'-P-C4' energy: -53.366 flat angles P-C4'-P energy: -26.249 tors. eta vs tors. theta energy: -9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -292.994356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.994356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.994356 (E_RNA) where: Base-Base interactions energy: -123.692 where: short stacking energy: -74.165 Base-Backbone interact. energy: 1.626 local terms energy: -170.927956 where: bonds (distance) C4'-P energy: -57.052 bonds (distance) P-C4' energy: -59.619 flat angles C4'-P-C4' energy: -33.132 flat angles P-C4'-P energy: -20.848 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1078.756205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.756205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.756205 (E_RNA) where: Base-Base interactions energy: -731.294 where: short stacking energy: -318.148 Base-Backbone interact. energy: -1.887 local terms energy: -345.575444 where: bonds (distance) C4'-P energy: -59.671 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -70.871 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -96.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1039.801688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.801688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.801688 (E_RNA) where: Base-Base interactions energy: -695.208 where: short stacking energy: -300.915 Base-Backbone interact. energy: 1.215 local terms energy: -345.809253 where: bonds (distance) C4'-P energy: -59.647 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -77.073 flat angles P-C4'-P energy: -55.076 tors. eta vs tors. theta energy: -92.668 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: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -979.957326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.957326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.957326 (E_RNA) where: Base-Base interactions energy: -644.361 where: short stacking energy: -297.636 Base-Backbone interact. energy: -0.683 local terms energy: -334.913311 where: bonds (distance) C4'-P energy: -62.046 bonds (distance) P-C4' energy: -68.699 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -53.575 tors. eta vs tors. theta energy: -78.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -900.271628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.271628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.271628 (E_RNA) where: Base-Base interactions energy: -596.020 where: short stacking energy: -267.461 Base-Backbone interact. energy: -2.520 local terms energy: -301.731688 where: bonds (distance) C4'-P energy: -57.383 bonds (distance) P-C4' energy: -65.184 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -33.747 tors. eta vs tors. theta energy: -74.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -883.522868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.522868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.522868 (E_RNA) where: Base-Base interactions energy: -589.383 where: short stacking energy: -293.065 Base-Backbone interact. energy: -0.598 local terms energy: -293.541372 where: bonds (distance) C4'-P energy: -53.909 bonds (distance) P-C4' energy: -54.509 flat angles C4'-P-C4' energy: -59.547 flat angles P-C4'-P energy: -40.974 tors. eta vs tors. theta energy: -84.601 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -753.054055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.054055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.054055 (E_RNA) where: Base-Base interactions energy: -477.838 where: short stacking energy: -231.311 Base-Backbone interact. energy: -0.164 local terms energy: -275.051680 where: bonds (distance) C4'-P energy: -53.733 bonds (distance) P-C4' energy: -52.631 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -40.557 tors. eta vs tors. theta energy: -63.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -690.336497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.336497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.336497 (E_RNA) where: Base-Base interactions energy: -444.438 where: short stacking energy: -210.545 Base-Backbone interact. energy: -0.484 local terms energy: -245.414173 where: bonds (distance) C4'-P energy: -57.454 bonds (distance) P-C4' energy: -49.143 flat angles C4'-P-C4' energy: -56.163 flat angles P-C4'-P energy: -36.308 tors. eta vs tors. theta energy: -46.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -501.237903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.237903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.237903 (E_RNA) where: Base-Base interactions energy: -282.438 where: short stacking energy: -134.993 Base-Backbone interact. energy: -1.706 local terms energy: -217.093487 where: bonds (distance) C4'-P energy: -56.459 bonds (distance) P-C4' energy: -60.487 flat angles C4'-P-C4' energy: -47.225 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -16.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -330.986696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.986696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.986696 (E_RNA) where: Base-Base interactions energy: -137.973 where: short stacking energy: -94.177 Base-Backbone interact. energy: 0.867 local terms energy: -193.880803 where: bonds (distance) C4'-P energy: -57.911 bonds (distance) P-C4' energy: -57.640 flat angles C4'-P-C4' energy: -54.619 flat angles P-C4'-P energy: -33.769 tors. eta vs tors. theta energy: 10.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -283.493930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.493930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.493930 (E_RNA) where: Base-Base interactions energy: -101.001 where: short stacking energy: -79.877 Base-Backbone interact. energy: -0.720 local terms energy: -181.773381 where: bonds (distance) C4'-P energy: -42.476 bonds (distance) P-C4' energy: -62.059 flat angles C4'-P-C4' energy: -47.617 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: 8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1079.497926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.497926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.497926 (E_RNA) where: Base-Base interactions energy: -739.716 where: short stacking energy: -317.823 Base-Backbone interact. energy: -2.950 local terms energy: -336.832179 where: bonds (distance) C4'-P energy: -57.481 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -79.380 flat angles P-C4'-P energy: -51.034 tors. eta vs tors. theta energy: -90.118 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: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1026.621629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.621629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.621629 (E_RNA) where: Base-Base interactions energy: -694.803 where: short stacking energy: -301.221 Base-Backbone interact. energy: -0.764 local terms energy: -331.054840 where: bonds (distance) C4'-P energy: -61.558 bonds (distance) P-C4' energy: -56.791 flat angles C4'-P-C4' energy: -80.597 flat angles P-C4'-P energy: -47.546 tors. eta vs tors. theta energy: -84.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1027.424517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.424517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.424517 (E_RNA) where: Base-Base interactions energy: -706.273 where: short stacking energy: -308.440 Base-Backbone interact. energy: 3.760 local terms energy: -324.911713 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -58.637 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -89.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -906.726390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.726390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.726390 (E_RNA) where: Base-Base interactions energy: -598.351 where: short stacking energy: -253.599 Base-Backbone interact. energy: -1.224 local terms energy: -307.151286 where: bonds (distance) C4'-P energy: -61.366 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -67.964 flat angles P-C4'-P energy: -38.076 tors. eta vs tors. theta energy: -75.855 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: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -864.642695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.642695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.642695 (E_RNA) where: Base-Base interactions energy: -555.200 where: short stacking energy: -256.492 Base-Backbone interact. energy: -1.558 local terms energy: -307.884377 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -58.600 flat angles C4'-P-C4' energy: -71.978 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: -76.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -792.497956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.497956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.497956 (E_RNA) where: Base-Base interactions energy: -505.863 where: short stacking energy: -249.156 Base-Backbone interact. energy: -0.728 local terms energy: -285.907224 where: bonds (distance) C4'-P energy: -52.749 bonds (distance) P-C4' energy: -63.094 flat angles C4'-P-C4' energy: -65.409 flat angles P-C4'-P energy: -44.133 tors. eta vs tors. theta energy: -60.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -696.364197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.364197 (E_RNA) where: Base-Base interactions energy: -439.859 where: short stacking energy: -199.445 Base-Backbone interact. energy: -0.099 local terms energy: -256.406305 where: bonds (distance) C4'-P energy: -55.205 bonds (distance) P-C4' energy: -58.207 flat angles C4'-P-C4' energy: -59.278 flat angles P-C4'-P energy: -31.979 tors. eta vs tors. theta energy: -51.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -394.974671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.974671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.974671 (E_RNA) where: Base-Base interactions energy: -188.804 where: short stacking energy: -109.999 Base-Backbone interact. energy: -0.523 local terms energy: -205.647800 where: bonds (distance) C4'-P energy: -69.715 bonds (distance) P-C4' energy: -54.180 flat angles C4'-P-C4' energy: -47.779 flat angles P-C4'-P energy: -37.297 tors. eta vs tors. theta energy: 3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -416.378733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.378733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.378733 (E_RNA) where: Base-Base interactions energy: -206.565 where: short stacking energy: -100.495 Base-Backbone interact. energy: -0.854 local terms energy: -208.959990 where: bonds (distance) C4'-P energy: -52.767 bonds (distance) P-C4' energy: -57.773 flat angles C4'-P-C4' energy: -65.446 flat angles P-C4'-P energy: -28.370 tors. eta vs tors. theta energy: -4.603 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: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -268.199410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.199410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.199410 (E_RNA) where: Base-Base interactions energy: -118.349 where: short stacking energy: -97.341 Base-Backbone interact. energy: 0.095 local terms energy: -149.945565 where: bonds (distance) C4'-P energy: -47.837 bonds (distance) P-C4' energy: -57.100 flat angles C4'-P-C4' energy: -35.480 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: 0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1077.741100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.741100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.741100 (E_RNA) where: Base-Base interactions energy: -738.330 where: short stacking energy: -340.410 Base-Backbone interact. energy: -2.156 local terms energy: -337.255438 where: bonds (distance) C4'-P energy: -47.708 bonds (distance) P-C4' energy: -64.009 flat angles C4'-P-C4' energy: -68.855 flat angles P-C4'-P energy: -55.538 tors. eta vs tors. theta energy: -101.145 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: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1016.506222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.506222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.506222 (E_RNA) where: Base-Base interactions energy: -687.105 where: short stacking energy: -317.266 Base-Backbone interact. energy: -1.105 local terms energy: -328.296102 where: bonds (distance) C4'-P energy: -59.570 bonds (distance) P-C4' energy: -64.820 flat angles C4'-P-C4' energy: -70.987 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: -87.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1018.344498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.344498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.344498 (E_RNA) where: Base-Base interactions energy: -684.254 where: short stacking energy: -301.135 Base-Backbone interact. energy: -1.732 local terms energy: -332.358209 where: bonds (distance) C4'-P energy: -69.066 bonds (distance) P-C4' energy: -60.914 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -44.023 tors. eta vs tors. theta energy: -85.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -882.365594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.365594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.365594 (E_RNA) where: Base-Base interactions energy: -593.021 where: short stacking energy: -270.351 Base-Backbone interact. energy: -0.522 local terms energy: -288.822620 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -64.898 flat angles C4'-P-C4' energy: -56.679 flat angles P-C4'-P energy: -44.439 tors. eta vs tors. theta energy: -66.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -894.487777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.487777 (E_RNA) where: Base-Base interactions energy: -573.899 where: short stacking energy: -274.715 Base-Backbone interact. energy: -0.122 local terms energy: -320.466621 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -60.753 flat angles C4'-P-C4' energy: -60.506 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -84.355 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: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -780.899097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.899097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.899097 (E_RNA) where: Base-Base interactions energy: -486.483 where: short stacking energy: -243.845 Base-Backbone interact. energy: -1.351 local terms energy: -293.064683 where: bonds (distance) C4'-P energy: -56.771 bonds (distance) P-C4' energy: -57.069 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -70.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -680.854589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.854589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.854589 (E_RNA) where: Base-Base interactions energy: -429.105 where: short stacking energy: -193.501 Base-Backbone interact. energy: 1.113 local terms energy: -252.862570 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -60.031 flat angles C4'-P-C4' energy: -49.625 flat angles P-C4'-P energy: -40.417 tors. eta vs tors. theta energy: -44.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -361.148032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.148032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.148032 (E_RNA) where: Base-Base interactions energy: -163.519 where: short stacking energy: -90.840 Base-Backbone interact. energy: 1.086 local terms energy: -198.714838 where: bonds (distance) C4'-P energy: -55.110 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -52.634 flat angles P-C4'-P energy: -34.231 tors. eta vs tors. theta energy: -2.233 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: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -423.280993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.280993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.280993 (E_RNA) where: Base-Base interactions energy: -235.666 where: short stacking energy: -127.383 Base-Backbone interact. energy: 2.973 local terms energy: -190.588058 where: bonds (distance) C4'-P energy: -50.604 bonds (distance) P-C4' energy: -57.294 flat angles C4'-P-C4' energy: -44.448 flat angles P-C4'-P energy: -24.160 tors. eta vs tors. theta energy: -14.082 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: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -263.380012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.380012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.380012 (E_RNA) where: Base-Base interactions energy: -98.257 where: short stacking energy: -81.813 Base-Backbone interact. energy: -0.544 local terms energy: -164.578780 where: bonds (distance) C4'-P energy: -49.060 bonds (distance) P-C4' energy: -49.341 flat angles C4'-P-C4' energy: -38.930 flat angles P-C4'-P energy: -26.104 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1067.686081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.686081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.686081 (E_RNA) where: Base-Base interactions energy: -719.761 where: short stacking energy: -319.834 Base-Backbone interact. energy: -2.845 local terms energy: -345.080542 where: bonds (distance) C4'-P energy: -62.848 bonds (distance) P-C4' energy: -62.733 flat angles C4'-P-C4' energy: -67.226 flat angles P-C4'-P energy: -49.591 tors. eta vs tors. theta energy: -102.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1015.315114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.315114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.315114 (E_RNA) where: Base-Base interactions energy: -681.231 where: short stacking energy: -318.898 Base-Backbone interact. energy: -1.578 local terms energy: -332.505272 where: bonds (distance) C4'-P energy: -67.844 bonds (distance) P-C4' energy: -57.780 flat angles C4'-P-C4' energy: -70.270 flat angles P-C4'-P energy: -41.792 tors. eta vs tors. theta energy: -94.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -999.865241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.865241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.865241 (E_RNA) where: Base-Base interactions energy: -656.079 where: short stacking energy: -294.309 Base-Backbone interact. energy: -1.315 local terms energy: -342.471503 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -70.743 flat angles C4'-P-C4' energy: -71.444 flat angles P-C4'-P energy: -49.855 tors. eta vs tors. theta energy: -90.092 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: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -910.712125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.712125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.712125 (E_RNA) where: Base-Base interactions energy: -591.892 where: short stacking energy: -284.889 Base-Backbone interact. energy: -0.452 local terms energy: -318.367720 where: bonds (distance) C4'-P energy: -51.879 bonds (distance) P-C4' energy: -66.584 flat angles C4'-P-C4' energy: -64.930 flat angles P-C4'-P energy: -49.848 tors. eta vs tors. theta energy: -85.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -878.356933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.356933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.356933 (E_RNA) where: Base-Base interactions energy: -584.422 where: short stacking energy: -258.594 Base-Backbone interact. energy: -2.507 local terms energy: -291.427541 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -65.027 flat angles P-C4'-P energy: -38.511 tors. eta vs tors. theta energy: -72.821 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: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -748.570053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.570053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.570053 (E_RNA) where: Base-Base interactions energy: -461.113 where: short stacking energy: -224.911 Base-Backbone interact. energy: -0.153 local terms energy: -287.304614 where: bonds (distance) C4'-P energy: -65.674 bonds (distance) P-C4' energy: -63.831 flat angles C4'-P-C4' energy: -59.557 flat angles P-C4'-P energy: -36.723 tors. eta vs tors. theta energy: -61.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -750.059143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.059143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.059143 (E_RNA) where: Base-Base interactions energy: -486.498 where: short stacking energy: -230.067 Base-Backbone interact. energy: -1.345 local terms energy: -262.216708 where: bonds (distance) C4'-P energy: -53.823 bonds (distance) P-C4' energy: -51.022 flat angles C4'-P-C4' energy: -66.746 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -54.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -449.403479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.403479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.403479 (E_RNA) where: Base-Base interactions energy: -243.917 where: short stacking energy: -134.199 Base-Backbone interact. energy: -0.665 local terms energy: -204.822156 where: bonds (distance) C4'-P energy: -48.253 bonds (distance) P-C4' energy: -58.069 flat angles C4'-P-C4' energy: -49.506 flat angles P-C4'-P energy: -27.516 tors. eta vs tors. theta energy: -21.479 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -334.675365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.675365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.675365 (E_RNA) where: Base-Base interactions energy: -152.494 where: short stacking energy: -83.512 Base-Backbone interact. energy: 1.569 local terms energy: -183.750222 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -52.837 flat angles C4'-P-C4' energy: -52.213 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: 13.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -263.401605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.401605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.401605 (E_RNA) where: Base-Base interactions energy: -75.906 where: short stacking energy: -72.017 Base-Backbone interact. energy: 1.257 local terms energy: -188.752008 where: bonds (distance) C4'-P energy: -55.814 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -48.651 flat angles P-C4'-P energy: -32.018 tors. eta vs tors. theta energy: 4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1068.054091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.054091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.054091 (E_RNA) where: Base-Base interactions energy: -729.378 where: short stacking energy: -316.664 Base-Backbone interact. energy: -1.158 local terms energy: -337.518111 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -71.287 flat angles C4'-P-C4' energy: -72.462 flat angles P-C4'-P energy: -43.343 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: 2, replica: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1037.229415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.229415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.229415 (E_RNA) where: Base-Base interactions energy: -698.423 where: short stacking energy: -310.300 Base-Backbone interact. energy: 0.942 local terms energy: -339.748204 where: bonds (distance) C4'-P energy: -58.549 bonds (distance) P-C4' energy: -62.619 flat angles C4'-P-C4' energy: -74.992 flat angles P-C4'-P energy: -49.353 tors. eta vs tors. theta energy: -94.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1016.710299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.710299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.710299 (E_RNA) where: Base-Base interactions energy: -702.640 where: short stacking energy: -300.712 Base-Backbone interact. energy: -1.353 local terms energy: -312.717488 where: bonds (distance) C4'-P energy: -59.803 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -58.977 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -84.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -907.557728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.557728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.557728 (E_RNA) where: Base-Base interactions energy: -614.278 where: short stacking energy: -278.034 Base-Backbone interact. energy: 2.564 local terms energy: -295.843851 where: bonds (distance) C4'-P energy: -52.512 bonds (distance) P-C4' energy: -68.554 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -67.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -907.307437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.307437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.307437 (E_RNA) where: Base-Base interactions energy: -593.783 where: short stacking energy: -245.329 Base-Backbone interact. energy: -1.227 local terms energy: -312.297477 where: bonds (distance) C4'-P energy: -63.201 bonds (distance) P-C4' energy: -62.350 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -74.012 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: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -709.235664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.235664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.235664 (E_RNA) where: Base-Base interactions energy: -448.066 where: short stacking energy: -214.843 Base-Backbone interact. energy: -0.665 local terms energy: -260.504865 where: bonds (distance) C4'-P energy: -55.520 bonds (distance) P-C4' energy: -56.457 flat angles C4'-P-C4' energy: -52.907 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -59.560 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: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -723.218682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.218682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.218682 (E_RNA) where: Base-Base interactions energy: -472.876 where: short stacking energy: -208.442 Base-Backbone interact. energy: 0.057 local terms energy: -250.400292 where: bonds (distance) C4'-P energy: -46.757 bonds (distance) P-C4' energy: -58.458 flat angles C4'-P-C4' energy: -61.090 flat angles P-C4'-P energy: -27.978 tors. eta vs tors. theta energy: -56.118 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: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -450.248758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.248758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.248758 (E_RNA) where: Base-Base interactions energy: -247.566 where: short stacking energy: -132.711 Base-Backbone interact. energy: -1.720 local terms energy: -200.962332 where: bonds (distance) C4'-P energy: -47.717 bonds (distance) P-C4' energy: -52.189 flat angles C4'-P-C4' energy: -62.291 flat angles P-C4'-P energy: -27.026 tors. eta vs tors. theta energy: -11.738 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -343.298133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.298133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.298133 (E_RNA) where: Base-Base interactions energy: -178.443 where: short stacking energy: -105.444 Base-Backbone interact. energy: -0.022 local terms energy: -164.832862 where: bonds (distance) C4'-P energy: -48.617 bonds (distance) P-C4' energy: -60.103 flat angles C4'-P-C4' energy: -38.926 flat angles P-C4'-P energy: -17.705 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -271.067062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.067062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.067062 (E_RNA) where: Base-Base interactions energy: -108.177 where: short stacking energy: -92.711 Base-Backbone interact. energy: 1.588 local terms energy: -164.477930 where: bonds (distance) C4'-P energy: -39.975 bonds (distance) P-C4' energy: -68.067 flat angles C4'-P-C4' energy: -42.087 flat angles P-C4'-P energy: -29.599 tors. eta vs tors. theta energy: 15.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1076.490410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.490410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.490410 (E_RNA) where: Base-Base interactions energy: -731.563 where: short stacking energy: -320.028 Base-Backbone interact. energy: -1.015 local terms energy: -343.912329 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -72.364 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -98.503 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: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1076.706589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.706589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.706589 (E_RNA) where: Base-Base interactions energy: -732.329 where: short stacking energy: -322.393 Base-Backbone interact. energy: -3.355 local terms energy: -341.022339 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -71.371 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -88.703 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: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -977.613129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.613129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.613129 (E_RNA) where: Base-Base interactions energy: -650.307 where: short stacking energy: -277.164 Base-Backbone interact. energy: -0.169 local terms energy: -327.136659 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -53.138 flat angles C4'-P-C4' energy: -66.137 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -86.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -908.985630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.985630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.985630 (E_RNA) where: Base-Base interactions energy: -602.040 where: short stacking energy: -277.121 Base-Backbone interact. energy: -1.486 local terms energy: -305.459446 where: bonds (distance) C4'-P energy: -48.487 bonds (distance) P-C4' energy: -65.034 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -78.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -896.254459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.254459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.254459 (E_RNA) where: Base-Base interactions energy: -612.346 where: short stacking energy: -282.886 Base-Backbone interact. energy: 0.528 local terms energy: -284.436143 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -53.157 flat angles C4'-P-C4' energy: -54.539 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -76.615 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: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -754.982923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.982923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.982923 (E_RNA) where: Base-Base interactions energy: -485.193 where: short stacking energy: -247.986 Base-Backbone interact. energy: 0.009 local terms energy: -269.798974 where: bonds (distance) C4'-P energy: -53.201 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -56.750 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: -65.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -711.124724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.124724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.124724 (E_RNA) where: Base-Base interactions energy: -457.040 where: short stacking energy: -223.831 Base-Backbone interact. energy: -2.050 local terms energy: -252.035312 where: bonds (distance) C4'-P energy: -43.339 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -25.617 tors. eta vs tors. theta energy: -55.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -454.754440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.754440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.754440 (E_RNA) where: Base-Base interactions energy: -232.806 where: short stacking energy: -121.346 Base-Backbone interact. energy: 1.936 local terms energy: -223.884700 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -69.994 flat angles C4'-P-C4' energy: -38.786 flat angles P-C4'-P energy: -34.506 tors. eta vs tors. theta energy: -19.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -287.677185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.677185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.677185 (E_RNA) where: Base-Base interactions energy: -97.917 where: short stacking energy: -60.967 Base-Backbone interact. energy: 0.610 local terms energy: -190.370186 where: bonds (distance) C4'-P energy: -64.736 bonds (distance) P-C4' energy: -58.484 flat angles C4'-P-C4' energy: -41.959 flat angles P-C4'-P energy: -29.188 tors. eta vs tors. theta energy: 3.997 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: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -261.581958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.581958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.581958 (E_RNA) where: Base-Base interactions energy: -93.444 where: short stacking energy: -71.249 Base-Backbone interact. energy: 0.907 local terms energy: -169.044665 where: bonds (distance) C4'-P energy: -48.098 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -40.778 flat angles P-C4'-P energy: -33.561 tors. eta vs tors. theta energy: 6.424 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: 168 Temperature: 0.900000 Total energy: -1086.180455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.180455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.180455 (E_RNA) where: Base-Base interactions energy: -731.857 where: short stacking energy: -317.765 Base-Backbone interact. energy: -2.046 local terms energy: -352.276776 where: bonds (distance) C4'-P energy: -70.077 bonds (distance) P-C4' energy: -58.714 flat angles C4'-P-C4' energy: -74.264 flat angles P-C4'-P energy: -49.561 tors. eta vs tors. theta energy: -99.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1071.656637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.656637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.656637 (E_RNA) where: Base-Base interactions energy: -739.197 where: short stacking energy: -309.074 Base-Backbone interact. energy: -3.053 local terms energy: -329.406919 where: bonds (distance) C4'-P energy: -62.762 bonds (distance) P-C4' energy: -64.619 flat angles C4'-P-C4' energy: -63.059 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: -89.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1029.976755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.976755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.976755 (E_RNA) where: Base-Base interactions energy: -680.748 where: short stacking energy: -313.739 Base-Backbone interact. energy: -0.394 local terms energy: -348.835345 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -74.201 flat angles P-C4'-P energy: -56.031 tors. eta vs tors. theta energy: -97.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -927.678783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.678783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.678783 (E_RNA) where: Base-Base interactions energy: -617.903 where: short stacking energy: -288.275 Base-Backbone interact. energy: -1.342 local terms energy: -308.434243 where: bonds (distance) C4'-P energy: -55.952 bonds (distance) P-C4' energy: -54.168 flat angles C4'-P-C4' energy: -69.012 flat angles P-C4'-P energy: -37.400 tors. eta vs tors. theta energy: -91.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -865.913702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.913702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.913702 (E_RNA) where: Base-Base interactions energy: -580.400 where: short stacking energy: -264.790 Base-Backbone interact. energy: -0.704 local terms energy: -284.809856 where: bonds (distance) C4'-P energy: -55.197 bonds (distance) P-C4' energy: -57.731 flat angles C4'-P-C4' energy: -61.466 flat angles P-C4'-P energy: -41.201 tors. eta vs tors. theta energy: -69.215 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: 168 Temperature: 1.150000 Total energy: -774.689922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.689922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.689922 (E_RNA) where: Base-Base interactions energy: -510.580 where: short stacking energy: -226.716 Base-Backbone interact. energy: 0.081 local terms energy: -264.190941 where: bonds (distance) C4'-P energy: -50.842 bonds (distance) P-C4' energy: -52.533 flat angles C4'-P-C4' energy: -59.622 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -57.183 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: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -703.249402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.249402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.249402 (E_RNA) where: Base-Base interactions energy: -460.566 where: short stacking energy: -205.547 Base-Backbone interact. energy: -1.517 local terms energy: -241.166374 where: bonds (distance) C4'-P energy: -57.665 bonds (distance) P-C4' energy: -44.012 flat angles C4'-P-C4' energy: -59.750 flat angles P-C4'-P energy: -39.409 tors. eta vs tors. theta energy: -40.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -453.883928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.883928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.883928 (E_RNA) where: Base-Base interactions energy: -242.595 where: short stacking energy: -124.096 Base-Backbone interact. energy: 0.210 local terms energy: -211.499595 where: bonds (distance) C4'-P energy: -56.205 bonds (distance) P-C4' energy: -57.790 flat angles C4'-P-C4' energy: -58.929 flat angles P-C4'-P energy: -17.592 tors. eta vs tors. theta energy: -20.983 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -302.469868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.469868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.469868 (E_RNA) where: Base-Base interactions energy: -125.857 where: short stacking energy: -85.146 Base-Backbone interact. energy: 0.875 local terms energy: -177.487634 where: bonds (distance) C4'-P energy: -46.651 bonds (distance) P-C4' energy: -55.283 flat angles C4'-P-C4' energy: -57.937 flat angles P-C4'-P energy: -30.694 tors. eta vs tors. theta energy: 13.078 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -259.854719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.854719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.854719 (E_RNA) where: Base-Base interactions energy: -90.661 where: short stacking energy: -58.418 Base-Backbone interact. energy: -1.491 local terms energy: -167.701985 where: bonds (distance) C4'-P energy: -41.167 bonds (distance) P-C4' energy: -65.403 flat angles C4'-P-C4' energy: -45.944 flat angles P-C4'-P energy: -28.959 tors. eta vs tors. theta energy: 13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1076.083575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.083575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.083575 (E_RNA) where: Base-Base interactions energy: -714.430 where: short stacking energy: -330.502 Base-Backbone interact. energy: -0.971 local terms energy: -360.683034 where: bonds (distance) C4'-P energy: -64.559 bonds (distance) P-C4' energy: -71.593 flat angles C4'-P-C4' energy: -76.723 flat angles P-C4'-P energy: -52.511 tors. eta vs tors. theta energy: -95.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1037.409896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.409896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.409896 (E_RNA) where: Base-Base interactions energy: -701.556 where: short stacking energy: -311.581 Base-Backbone interact. energy: -1.056 local terms energy: -334.797865 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -61.639 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -93.410 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: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1012.617533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.617533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.617533 (E_RNA) where: Base-Base interactions energy: -694.347 where: short stacking energy: -289.268 Base-Backbone interact. energy: -0.987 local terms energy: -317.282665 where: bonds (distance) C4'-P energy: -59.526 bonds (distance) P-C4' energy: -60.791 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -53.043 tors. eta vs tors. theta energy: -72.921 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: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -893.694353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.694353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.694353 (E_RNA) where: Base-Base interactions energy: -582.822 where: short stacking energy: -252.312 Base-Backbone interact. energy: -1.257 local terms energy: -309.614832 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -63.664 flat angles C4'-P-C4' energy: -77.633 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -58.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -890.890301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.890301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.890301 (E_RNA) where: Base-Base interactions energy: -593.333 where: short stacking energy: -288.686 Base-Backbone interact. energy: -0.870 local terms energy: -296.687512 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -53.312 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -38.984 tors. eta vs tors. theta energy: -78.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -778.848086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.848086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.848086 (E_RNA) where: Base-Base interactions energy: -493.188 where: short stacking energy: -234.648 Base-Backbone interact. energy: -0.053 local terms energy: -285.607578 where: bonds (distance) C4'-P energy: -58.175 bonds (distance) P-C4' energy: -57.022 flat angles C4'-P-C4' energy: -60.018 flat angles P-C4'-P energy: -47.313 tors. eta vs tors. theta energy: -63.079 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: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -693.493290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.493290 (E_RNA) where: Base-Base interactions energy: -431.543 where: short stacking energy: -206.913 Base-Backbone interact. energy: -1.038 local terms energy: -260.911999 where: bonds (distance) C4'-P energy: -51.251 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -59.120 flat angles P-C4'-P energy: -36.715 tors. eta vs tors. theta energy: -50.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -457.967689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.967689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.967689 (E_RNA) where: Base-Base interactions energy: -255.353 where: short stacking energy: -144.775 Base-Backbone interact. energy: -2.994 local terms energy: -199.621405 where: bonds (distance) C4'-P energy: -52.954 bonds (distance) P-C4' energy: -45.772 flat angles C4'-P-C4' energy: -46.799 flat angles P-C4'-P energy: -31.682 tors. eta vs tors. theta energy: -22.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -346.796356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.796356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.796356 (E_RNA) where: Base-Base interactions energy: -156.544 where: short stacking energy: -92.399 Base-Backbone interact. energy: -1.459 local terms energy: -188.794026 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -45.425 flat angles C4'-P-C4' energy: -57.547 flat angles P-C4'-P energy: -19.322 tors. eta vs tors. theta energy: -4.484 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: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -280.643713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.643713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.643713 (E_RNA) where: Base-Base interactions energy: -85.508 where: short stacking energy: -70.356 Base-Backbone interact. energy: -3.236 local terms energy: -191.898839 where: bonds (distance) C4'-P energy: -50.227 bonds (distance) P-C4' energy: -58.702 flat angles C4'-P-C4' energy: -53.919 flat angles P-C4'-P energy: -30.658 tors. eta vs tors. theta energy: 1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1085.841085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.841085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.841085 (E_RNA) where: Base-Base interactions energy: -730.499 where: short stacking energy: -314.854 Base-Backbone interact. energy: 0.273 local terms energy: -355.614873 where: bonds (distance) C4'-P energy: -66.661 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -96.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1041.487413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.487413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.487413 (E_RNA) where: Base-Base interactions energy: -705.062 where: short stacking energy: -298.795 Base-Backbone interact. energy: -1.361 local terms energy: -335.065132 where: bonds (distance) C4'-P energy: -59.683 bonds (distance) P-C4' energy: -68.245 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -43.187 tors. eta vs tors. theta energy: -86.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1005.206375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.206375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.206375 (E_RNA) where: Base-Base interactions energy: -672.308 where: short stacking energy: -278.509 Base-Backbone interact. energy: 0.943 local terms energy: -333.841471 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -69.566 flat angles C4'-P-C4' energy: -74.892 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -82.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -910.197298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.197298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.197298 (E_RNA) where: Base-Base interactions energy: -593.776 where: short stacking energy: -264.398 Base-Backbone interact. energy: 1.242 local terms energy: -317.663831 where: bonds (distance) C4'-P energy: -54.638 bonds (distance) P-C4' energy: -60.005 flat angles C4'-P-C4' energy: -69.272 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -83.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -832.142357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.142357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.142357 (E_RNA) where: Base-Base interactions energy: -531.624 where: short stacking energy: -231.202 Base-Backbone interact. energy: -0.644 local terms energy: -299.874279 where: bonds (distance) C4'-P energy: -57.882 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -63.572 flat angles P-C4'-P energy: -43.780 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -784.942585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.942585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.942585 (E_RNA) where: Base-Base interactions energy: -484.453 where: short stacking energy: -224.425 Base-Backbone interact. energy: -0.982 local terms energy: -299.507857 where: bonds (distance) C4'-P energy: -68.777 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -71.651 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -59.194 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: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -703.994098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.994098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.994098 (E_RNA) where: Base-Base interactions energy: -440.641 where: short stacking energy: -203.764 Base-Backbone interact. energy: -1.903 local terms energy: -261.449579 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -47.699 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -48.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -465.668903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.668903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.668903 (E_RNA) where: Base-Base interactions energy: -272.189 where: short stacking energy: -130.924 Base-Backbone interact. energy: -2.729 local terms energy: -190.751241 where: bonds (distance) C4'-P energy: -53.777 bonds (distance) P-C4' energy: -57.126 flat angles C4'-P-C4' energy: -38.482 flat angles P-C4'-P energy: -30.029 tors. eta vs tors. theta energy: -11.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -364.292335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.292335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.292335 (E_RNA) where: Base-Base interactions energy: -195.030 where: short stacking energy: -107.572 Base-Backbone interact. energy: 0.545 local terms energy: -169.807746 where: bonds (distance) C4'-P energy: -41.856 bonds (distance) P-C4' energy: -56.437 flat angles C4'-P-C4' energy: -52.097 flat angles P-C4'-P energy: -21.697 tors. eta vs tors. theta energy: 2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -269.265261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.265261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.265261 (E_RNA) where: Base-Base interactions energy: -100.935 where: short stacking energy: -77.431 Base-Backbone interact. energy: 1.699 local terms energy: -170.029313 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -46.094 flat angles C4'-P-C4' energy: -42.809 flat angles P-C4'-P energy: -26.158 tors. eta vs tors. theta energy: 4.928 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1080.614912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.614912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.614912 (E_RNA) where: Base-Base interactions energy: -752.357 where: short stacking energy: -309.469 Base-Backbone interact. energy: -0.851 local terms energy: -327.406465 where: bonds (distance) C4'-P energy: -60.264 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -69.843 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -93.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1068.604969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.604969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.604969 (E_RNA) where: Base-Base interactions energy: -712.477 where: short stacking energy: -314.304 Base-Backbone interact. energy: 0.886 local terms energy: -357.014708 where: bonds (distance) C4'-P energy: -61.243 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -83.445 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: -90.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1014.890659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.890659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.890659 (E_RNA) where: Base-Base interactions energy: -679.489 where: short stacking energy: -305.391 Base-Backbone interact. energy: -0.679 local terms energy: -334.722347 where: bonds (distance) C4'-P energy: -65.953 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -43.284 tors. eta vs tors. theta energy: -90.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -890.848264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.848264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.848264 (E_RNA) where: Base-Base interactions energy: -604.740 where: short stacking energy: -268.366 Base-Backbone interact. energy: -0.370 local terms energy: -285.738593 where: bonds (distance) C4'-P energy: -49.364 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -65.364 flat angles P-C4'-P energy: -37.249 tors. eta vs tors. theta energy: -75.844 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: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -792.138598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.138598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.138598 (E_RNA) where: Base-Base interactions energy: -503.104 where: short stacking energy: -223.979 Base-Backbone interact. energy: -0.060 local terms energy: -288.975092 where: bonds (distance) C4'-P energy: -59.453 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -57.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -769.860015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.860015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.860015 (E_RNA) where: Base-Base interactions energy: -500.101 where: short stacking energy: -240.194 Base-Backbone interact. energy: -0.098 local terms energy: -269.661272 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -54.623 flat angles C4'-P-C4' energy: -66.441 flat angles P-C4'-P energy: -38.449 tors. eta vs tors. theta energy: -56.985 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: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -709.362955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.362955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.362955 (E_RNA) where: Base-Base interactions energy: -464.290 where: short stacking energy: -202.531 Base-Backbone interact. energy: -1.898 local terms energy: -243.174757 where: bonds (distance) C4'-P energy: -48.051 bonds (distance) P-C4' energy: -49.698 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -48.405 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: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -508.681319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.681319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.681319 (E_RNA) where: Base-Base interactions energy: -288.031 where: short stacking energy: -135.554 Base-Backbone interact. energy: 3.651 local terms energy: -224.301979 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -51.165 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -34.869 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -421.039043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.039043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.039043 (E_RNA) where: Base-Base interactions energy: -222.568 where: short stacking energy: -131.136 Base-Backbone interact. energy: 1.895 local terms energy: -200.366700 where: bonds (distance) C4'-P energy: -67.590 bonds (distance) P-C4' energy: -53.087 flat angles C4'-P-C4' energy: -38.799 flat angles P-C4'-P energy: -18.207 tors. eta vs tors. theta energy: -22.685 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: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -262.864266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.864266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.864266 (E_RNA) where: Base-Base interactions energy: -99.287 where: short stacking energy: -80.717 Base-Backbone interact. energy: -0.985 local terms energy: -162.592616 where: bonds (distance) C4'-P energy: -49.249 bonds (distance) P-C4' energy: -49.275 flat angles C4'-P-C4' energy: -52.597 flat angles P-C4'-P energy: -22.881 tors. eta vs tors. theta energy: 11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1073.536192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.536192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.536192 (E_RNA) where: Base-Base interactions energy: -713.240 where: short stacking energy: -302.565 Base-Backbone interact. energy: -1.412 local terms energy: -358.884324 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -66.157 flat angles C4'-P-C4' energy: -78.542 flat angles P-C4'-P energy: -56.566 tors. eta vs tors. theta energy: -96.217 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1064.984859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.984859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.984859 (E_RNA) where: Base-Base interactions energy: -728.087 where: short stacking energy: -301.441 Base-Backbone interact. energy: -2.825 local terms energy: -334.072682 where: bonds (distance) C4'-P energy: -62.898 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -61.982 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -93.222 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: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1045.592789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.592789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.592789 (E_RNA) where: Base-Base interactions energy: -718.089 where: short stacking energy: -324.452 Base-Backbone interact. energy: -1.241 local terms energy: -326.262818 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -58.444 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -92.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -908.746503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.746503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.746503 (E_RNA) where: Base-Base interactions energy: -597.997 where: short stacking energy: -268.310 Base-Backbone interact. energy: -0.372 local terms energy: -310.376960 where: bonds (distance) C4'-P energy: -63.752 bonds (distance) P-C4' energy: -62.311 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -40.408 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: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -818.658354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.658354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.658354 (E_RNA) where: Base-Base interactions energy: -528.463 where: short stacking energy: -245.906 Base-Backbone interact. energy: 5.187 local terms energy: -295.382772 where: bonds (distance) C4'-P energy: -65.761 bonds (distance) P-C4' energy: -62.309 flat angles C4'-P-C4' energy: -54.681 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: -65.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -741.476687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.476687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.476687 (E_RNA) where: Base-Base interactions energy: -460.490 where: short stacking energy: -230.256 Base-Backbone interact. energy: -0.031 local terms energy: -280.955517 where: bonds (distance) C4'-P energy: -55.394 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -60.588 flat angles P-C4'-P energy: -30.454 tors. eta vs tors. theta energy: -65.767 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: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -710.191507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.191507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.191507 (E_RNA) where: Base-Base interactions energy: -437.753 where: short stacking energy: -198.728 Base-Backbone interact. energy: 1.360 local terms energy: -273.798676 where: bonds (distance) C4'-P energy: -63.142 bonds (distance) P-C4' energy: -67.799 flat angles C4'-P-C4' energy: -56.945 flat angles P-C4'-P energy: -35.991 tors. eta vs tors. theta energy: -49.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -447.850580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.850580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.850580 (E_RNA) where: Base-Base interactions energy: -221.845 where: short stacking energy: -120.244 Base-Backbone interact. energy: -1.744 local terms energy: -224.262224 where: bonds (distance) C4'-P energy: -59.494 bonds (distance) P-C4' energy: -49.202 flat angles C4'-P-C4' energy: -63.372 flat angles P-C4'-P energy: -33.295 tors. eta vs tors. theta energy: -18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -339.099634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.099634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.099634 (E_RNA) where: Base-Base interactions energy: -150.614 where: short stacking energy: -106.952 Base-Backbone interact. energy: 4.715 local terms energy: -193.200577 where: bonds (distance) C4'-P energy: -57.018 bonds (distance) P-C4' energy: -51.310 flat angles C4'-P-C4' energy: -56.739 flat angles P-C4'-P energy: -23.679 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -413.926473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.926473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.926473 (E_RNA) where: Base-Base interactions energy: -227.623 where: short stacking energy: -129.511 Base-Backbone interact. energy: 1.965 local terms energy: -188.268384 where: bonds (distance) C4'-P energy: -46.675 bonds (distance) P-C4' energy: -56.114 flat angles C4'-P-C4' energy: -45.600 flat angles P-C4'-P energy: -27.870 tors. eta vs tors. theta energy: -12.009 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: 4 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1080.991087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.991087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.991087 (E_RNA) where: Base-Base interactions energy: -724.634 where: short stacking energy: -310.426 Base-Backbone interact. energy: -3.088 local terms energy: -353.268890 where: bonds (distance) C4'-P energy: -75.815 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -63.177 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -95.280 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1062.331794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.331794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.331794 (E_RNA) where: Base-Base interactions energy: -729.361 where: short stacking energy: -304.967 Base-Backbone interact. energy: -2.531 local terms energy: -330.440292 where: bonds (distance) C4'-P energy: -56.101 bonds (distance) P-C4' energy: -65.977 flat angles C4'-P-C4' energy: -68.734 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -94.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1047.469822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.469822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.469822 (E_RNA) where: Base-Base interactions energy: -699.626 where: short stacking energy: -319.687 Base-Backbone interact. energy: -1.256 local terms energy: -346.587137 where: bonds (distance) C4'-P energy: -68.584 bonds (distance) P-C4' energy: -69.068 flat angles C4'-P-C4' energy: -66.633 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -95.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -886.410573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.410573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.410573 (E_RNA) where: Base-Base interactions energy: -611.990 where: short stacking energy: -257.505 Base-Backbone interact. energy: -1.802 local terms energy: -272.618602 where: bonds (distance) C4'-P energy: -39.209 bonds (distance) P-C4' energy: -67.099 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -62.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -794.237553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.237553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.237553 (E_RNA) where: Base-Base interactions energy: -530.673 where: short stacking energy: -239.162 Base-Backbone interact. energy: 0.295 local terms energy: -263.859166 where: bonds (distance) C4'-P energy: -45.161 bonds (distance) P-C4' energy: -60.568 flat angles C4'-P-C4' energy: -70.125 flat angles P-C4'-P energy: -39.166 tors. eta vs tors. theta energy: -48.839 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: 173 Temperature: 1.150000 Total energy: -737.523130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.523130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.523130 (E_RNA) where: Base-Base interactions energy: -475.542 where: short stacking energy: -232.855 Base-Backbone interact. energy: -0.671 local terms energy: -261.310511 where: bonds (distance) C4'-P energy: -42.053 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -64.052 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -59.965 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: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -692.645019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.645019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.645019 (E_RNA) where: Base-Base interactions energy: -445.234 where: short stacking energy: -217.108 Base-Backbone interact. energy: 1.292 local terms energy: -248.703053 where: bonds (distance) C4'-P energy: -44.837 bonds (distance) P-C4' energy: -58.816 flat angles C4'-P-C4' energy: -60.293 flat angles P-C4'-P energy: -33.075 tors. eta vs tors. theta energy: -51.682 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: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -458.265105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.265105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.265105 (E_RNA) where: Base-Base interactions energy: -239.957 where: short stacking energy: -142.734 Base-Backbone interact. energy: -0.678 local terms energy: -217.630724 where: bonds (distance) C4'-P energy: -51.928 bonds (distance) P-C4' energy: -54.973 flat angles C4'-P-C4' energy: -51.582 flat angles P-C4'-P energy: -31.054 tors. eta vs tors. theta energy: -28.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -325.579805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.579805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.579805 (E_RNA) where: Base-Base interactions energy: -128.194 where: short stacking energy: -85.847 Base-Backbone interact. energy: -0.908 local terms energy: -196.477439 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -41.590 flat angles P-C4'-P energy: -27.087 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -357.425730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.425730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.425730 (E_RNA) where: Base-Base interactions energy: -169.364 where: short stacking energy: -115.989 Base-Backbone interact. energy: 1.081 local terms energy: -189.143049 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -61.127 flat angles C4'-P-C4' energy: -43.672 flat angles P-C4'-P energy: -23.249 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: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1102.702260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.702260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.702260 (E_RNA) where: Base-Base interactions energy: -740.129 where: short stacking energy: -316.228 Base-Backbone interact. energy: -3.237 local terms energy: -359.336032 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -73.275 flat angles P-C4'-P energy: -59.656 tors. eta vs tors. theta energy: -91.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1051.676690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.676690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.676690 (E_RNA) where: Base-Base interactions energy: -706.123 where: short stacking energy: -305.620 Base-Backbone interact. energy: -1.997 local terms energy: -343.556223 where: bonds (distance) C4'-P energy: -68.145 bonds (distance) P-C4' energy: -55.938 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -47.447 tors. eta vs tors. theta energy: -98.794 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: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1010.496051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.496051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.496051 (E_RNA) where: Base-Base interactions energy: -689.698 where: short stacking energy: -308.701 Base-Backbone interact. energy: 0.232 local terms energy: -321.030649 where: bonds (distance) C4'-P energy: -59.337 bonds (distance) P-C4' energy: -62.191 flat angles C4'-P-C4' energy: -63.941 flat angles P-C4'-P energy: -42.547 tors. eta vs tors. theta energy: -93.015 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: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -918.327559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.327559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.327559 (E_RNA) where: Base-Base interactions energy: -609.239 where: short stacking energy: -261.865 Base-Backbone interact. energy: -1.517 local terms energy: -307.571135 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -67.273 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: -77.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -810.492039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.492039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.492039 (E_RNA) where: Base-Base interactions energy: -533.188 where: short stacking energy: -238.855 Base-Backbone interact. energy: 1.568 local terms energy: -278.872118 where: bonds (distance) C4'-P energy: -52.756 bonds (distance) P-C4' energy: -59.878 flat angles C4'-P-C4' energy: -62.763 flat angles P-C4'-P energy: -38.397 tors. eta vs tors. theta energy: -65.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -754.313038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.313038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.313038 (E_RNA) where: Base-Base interactions energy: -472.625 where: short stacking energy: -219.560 Base-Backbone interact. energy: -0.573 local terms energy: -281.114457 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -50.132 flat angles C4'-P-C4' energy: -64.083 flat angles P-C4'-P energy: -36.339 tors. eta vs tors. theta energy: -61.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -707.289698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.289698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.289698 (E_RNA) where: Base-Base interactions energy: -436.161 where: short stacking energy: -233.787 Base-Backbone interact. energy: -0.637 local terms energy: -270.492190 where: bonds (distance) C4'-P energy: -53.345 bonds (distance) P-C4' energy: -56.017 flat angles C4'-P-C4' energy: -67.746 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: -56.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -479.692946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.692946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.692946 (E_RNA) where: Base-Base interactions energy: -255.676 where: short stacking energy: -137.552 Base-Backbone interact. energy: -1.256 local terms energy: -222.760755 where: bonds (distance) C4'-P energy: -52.467 bonds (distance) P-C4' energy: -55.006 flat angles C4'-P-C4' energy: -55.103 flat angles P-C4'-P energy: -40.067 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -404.357130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.357130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.357130 (E_RNA) where: Base-Base interactions energy: -213.569 where: short stacking energy: -122.692 Base-Backbone interact. energy: 1.585 local terms energy: -192.373340 where: bonds (distance) C4'-P energy: -44.321 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -42.048 flat angles P-C4'-P energy: -27.277 tors. eta vs tors. theta energy: -18.277 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: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -328.405122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.405122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.405122 (E_RNA) where: Base-Base interactions energy: -180.016 where: short stacking energy: -84.355 Base-Backbone interact. energy: -2.081 local terms energy: -146.307959 where: bonds (distance) C4'-P energy: -44.734 bonds (distance) P-C4' energy: -47.247 flat angles C4'-P-C4' energy: -41.679 flat angles P-C4'-P energy: -19.488 tors. eta vs tors. theta energy: 6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1116.242963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.242963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.242963 (E_RNA) where: Base-Base interactions energy: -757.800 where: short stacking energy: -326.674 Base-Backbone interact. energy: -2.056 local terms energy: -356.386572 where: bonds (distance) C4'-P energy: -62.592 bonds (distance) P-C4' energy: -70.295 flat angles C4'-P-C4' energy: -69.893 flat angles P-C4'-P energy: -55.806 tors. eta vs tors. theta energy: -97.800 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: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1033.692339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.692339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.692339 (E_RNA) where: Base-Base interactions energy: -691.963 where: short stacking energy: -315.922 Base-Backbone interact. energy: -1.560 local terms energy: -340.169770 where: bonds (distance) C4'-P energy: -59.089 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -68.673 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: -88.143 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: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1015.477055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.477055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.477055 (E_RNA) where: Base-Base interactions energy: -688.064 where: short stacking energy: -312.127 Base-Backbone interact. energy: 2.566 local terms energy: -329.978186 where: bonds (distance) C4'-P energy: -59.656 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -933.346448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.346448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.346448 (E_RNA) where: Base-Base interactions energy: -634.440 where: short stacking energy: -271.856 Base-Backbone interact. energy: -2.209 local terms energy: -296.698222 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -48.256 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -50.616 tors. eta vs tors. theta energy: -75.184 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: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -825.521298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.521298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.521298 (E_RNA) where: Base-Base interactions energy: -544.261 where: short stacking energy: -264.705 Base-Backbone interact. energy: -0.802 local terms energy: -280.459053 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -56.683 flat angles C4'-P-C4' energy: -56.168 flat angles P-C4'-P energy: -39.693 tors. eta vs tors. theta energy: -70.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -757.966788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.966788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.966788 (E_RNA) where: Base-Base interactions energy: -488.864 where: short stacking energy: -241.491 Base-Backbone interact. energy: -1.225 local terms energy: -267.877761 where: bonds (distance) C4'-P energy: -55.208 bonds (distance) P-C4' energy: -53.177 flat angles C4'-P-C4' energy: -61.603 flat angles P-C4'-P energy: -40.690 tors. eta vs tors. theta energy: -57.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -663.220126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.220126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.220126 (E_RNA) where: Base-Base interactions energy: -424.997 where: short stacking energy: -206.109 Base-Backbone interact. energy: -1.573 local terms energy: -236.650892 where: bonds (distance) C4'-P energy: -56.393 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -50.877 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: -37.454 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: 175 Temperature: 1.250000 Total energy: -484.913647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.913647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.913647 (E_RNA) where: Base-Base interactions energy: -252.742 where: short stacking energy: -141.949 Base-Backbone interact. energy: 2.627 local terms energy: -234.798531 where: bonds (distance) C4'-P energy: -57.898 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -56.496 flat angles P-C4'-P energy: -37.425 tors. eta vs tors. theta energy: -23.975 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: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -486.333514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.333514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.333514 (E_RNA) where: Base-Base interactions energy: -256.524 where: short stacking energy: -136.207 Base-Backbone interact. energy: -1.231 local terms energy: -228.579011 where: bonds (distance) C4'-P energy: -50.616 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -63.034 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -23.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -315.561034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.561034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.561034 (E_RNA) where: Base-Base interactions energy: -126.018 where: short stacking energy: -70.898 Base-Backbone interact. energy: -1.509 local terms energy: -188.033541 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -51.020 flat angles C4'-P-C4' energy: -47.263 flat angles P-C4'-P energy: -43.633 tors. eta vs tors. theta energy: 7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1098.893604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.893604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.893604 (E_RNA) where: Base-Base interactions energy: -740.144 where: short stacking energy: -329.684 Base-Backbone interact. energy: -1.340 local terms energy: -357.409891 where: bonds (distance) C4'-P energy: -75.489 bonds (distance) P-C4' energy: -60.259 flat angles C4'-P-C4' energy: -72.257 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -99.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1021.852770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.852770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.852770 (E_RNA) where: Base-Base interactions energy: -686.644 where: short stacking energy: -304.435 Base-Backbone interact. energy: 0.663 local terms energy: -335.872498 where: bonds (distance) C4'-P energy: -68.683 bonds (distance) P-C4' energy: -51.250 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -57.372 tors. eta vs tors. theta energy: -84.483 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: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1010.253047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.253047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.253047 (E_RNA) where: Base-Base interactions energy: -671.747 where: short stacking energy: -295.962 Base-Backbone interact. energy: -1.623 local terms energy: -336.883050 where: bonds (distance) C4'-P energy: -65.354 bonds (distance) P-C4' energy: -63.458 flat angles C4'-P-C4' energy: -70.187 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -90.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -949.869883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.869883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.869883 (E_RNA) where: Base-Base interactions energy: -611.051 where: short stacking energy: -274.189 Base-Backbone interact. energy: -0.992 local terms energy: -337.826703 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -71.331 flat angles C4'-P-C4' energy: -69.441 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -79.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -828.427790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.427790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.427790 (E_RNA) where: Base-Base interactions energy: -547.939 where: short stacking energy: -268.425 Base-Backbone interact. energy: -0.227 local terms energy: -280.261813 where: bonds (distance) C4'-P energy: -56.542 bonds (distance) P-C4' energy: -61.790 flat angles C4'-P-C4' energy: -60.605 flat angles P-C4'-P energy: -31.683 tors. eta vs tors. theta energy: -69.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -774.735765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.735765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.735765 (E_RNA) where: Base-Base interactions energy: -508.996 where: short stacking energy: -250.059 Base-Backbone interact. energy: 1.934 local terms energy: -267.673731 where: bonds (distance) C4'-P energy: -54.616 bonds (distance) P-C4' energy: -56.017 flat angles C4'-P-C4' energy: -63.349 flat angles P-C4'-P energy: -28.882 tors. eta vs tors. theta energy: -64.808 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: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -626.709003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.709003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.709003 (E_RNA) where: Base-Base interactions energy: -383.856 where: short stacking energy: -183.257 Base-Backbone interact. energy: 0.974 local terms energy: -243.826784 where: bonds (distance) C4'-P energy: -47.699 bonds (distance) P-C4' energy: -59.039 flat angles C4'-P-C4' energy: -55.783 flat angles P-C4'-P energy: -31.859 tors. eta vs tors. theta energy: -49.447 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: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -485.354882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.354882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.354882 (E_RNA) where: Base-Base interactions energy: -278.978 where: short stacking energy: -134.370 Base-Backbone interact. energy: 3.475 local terms energy: -209.851184 where: bonds (distance) C4'-P energy: -67.641 bonds (distance) P-C4' energy: -43.689 flat angles C4'-P-C4' energy: -51.985 flat angles P-C4'-P energy: -31.168 tors. eta vs tors. theta energy: -15.367 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -474.976286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.976286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.976286 (E_RNA) where: Base-Base interactions energy: -255.866 where: short stacking energy: -136.346 Base-Backbone interact. energy: -1.243 local terms energy: -217.866723 where: bonds (distance) C4'-P energy: -48.053 bonds (distance) P-C4' energy: -57.285 flat angles C4'-P-C4' energy: -55.152 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: -22.131 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: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -328.193450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.193450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.193450 (E_RNA) where: Base-Base interactions energy: -153.416 where: short stacking energy: -96.978 Base-Backbone interact. energy: 3.969 local terms energy: -178.746464 where: bonds (distance) C4'-P energy: -55.471 bonds (distance) P-C4' energy: -53.736 flat angles C4'-P-C4' energy: -52.342 flat angles P-C4'-P energy: -25.854 tors. eta vs tors. theta energy: 8.656 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: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1123.924350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.924350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.924350 (E_RNA) where: Base-Base interactions energy: -758.935 where: short stacking energy: -328.645 Base-Backbone interact. energy: -0.876 local terms energy: -364.113117 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -73.107 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -102.385 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: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1042.007443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.007443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.007443 (E_RNA) where: Base-Base interactions energy: -704.962 where: short stacking energy: -321.691 Base-Backbone interact. energy: -1.766 local terms energy: -335.279619 where: bonds (distance) C4'-P energy: -55.568 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -77.336 flat angles P-C4'-P energy: -48.611 tors. eta vs tors. theta energy: -90.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1003.361574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.361574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.361574 (E_RNA) where: Base-Base interactions energy: -658.737 where: short stacking energy: -292.691 Base-Backbone interact. energy: -0.571 local terms energy: -344.053023 where: bonds (distance) C4'-P energy: -71.758 bonds (distance) P-C4' energy: -63.368 flat angles C4'-P-C4' energy: -67.052 flat angles P-C4'-P energy: -50.746 tors. eta vs tors. theta energy: -91.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -950.926370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.926370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.926370 (E_RNA) where: Base-Base interactions energy: -637.418 where: short stacking energy: -283.088 Base-Backbone interact. energy: -0.951 local terms energy: -312.557277 where: bonds (distance) C4'-P energy: -60.881 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -47.909 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: 5, replica: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -781.679016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.679016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.679016 (E_RNA) where: Base-Base interactions energy: -498.717 where: short stacking energy: -239.681 Base-Backbone interact. energy: -1.006 local terms energy: -281.956269 where: bonds (distance) C4'-P energy: -61.554 bonds (distance) P-C4' energy: -55.433 flat angles C4'-P-C4' energy: -61.045 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -60.033 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: 8 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -687.908742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.908742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.908742 (E_RNA) where: Base-Base interactions energy: -418.464 where: short stacking energy: -203.428 Base-Backbone interact. energy: -1.361 local terms energy: -268.083694 where: bonds (distance) C4'-P energy: -61.903 bonds (distance) P-C4' energy: -61.968 flat angles C4'-P-C4' energy: -55.761 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -43.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -637.960521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.960521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.960521 (E_RNA) where: Base-Base interactions energy: -392.033 where: short stacking energy: -197.422 Base-Backbone interact. energy: -0.996 local terms energy: -244.930951 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -49.564 flat angles C4'-P-C4' energy: -53.722 flat angles P-C4'-P energy: -33.234 tors. eta vs tors. theta energy: -42.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -503.593286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.593286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.593286 (E_RNA) where: Base-Base interactions energy: -285.518 where: short stacking energy: -149.229 Base-Backbone interact. energy: -0.570 local terms energy: -217.504920 where: bonds (distance) C4'-P energy: -50.621 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -53.142 flat angles P-C4'-P energy: -26.113 tors. eta vs tors. theta energy: -27.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -463.141057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.141057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.141057 (E_RNA) where: Base-Base interactions energy: -276.484 where: short stacking energy: -133.908 Base-Backbone interact. energy: -2.050 local terms energy: -184.607237 where: bonds (distance) C4'-P energy: -50.375 bonds (distance) P-C4' energy: -63.223 flat angles C4'-P-C4' energy: -38.093 flat angles P-C4'-P energy: -27.001 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: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -309.636901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.636901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.636901 (E_RNA) where: Base-Base interactions energy: -136.683 where: short stacking energy: -99.688 Base-Backbone interact. energy: -0.355 local terms energy: -172.598935 where: bonds (distance) C4'-P energy: -53.316 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -30.872 flat angles P-C4'-P energy: -21.526 tors. eta vs tors. theta energy: -1.758 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1110.237057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.237057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.237057 (E_RNA) where: Base-Base interactions energy: -761.400 where: short stacking energy: -336.625 Base-Backbone interact. energy: -0.774 local terms energy: -348.062190 where: bonds (distance) C4'-P energy: -69.204 bonds (distance) P-C4' energy: -61.763 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -96.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1057.322814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.322814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.322814 (E_RNA) where: Base-Base interactions energy: -719.532 where: short stacking energy: -303.695 Base-Backbone interact. energy: -1.358 local terms energy: -336.432861 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -70.306 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -89.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1018.056191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.056191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.056191 (E_RNA) where: Base-Base interactions energy: -687.106 where: short stacking energy: -318.299 Base-Backbone interact. energy: -0.996 local terms energy: -329.954032 where: bonds (distance) C4'-P energy: -61.001 bonds (distance) P-C4' energy: -55.291 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -45.660 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: 4, replica: 1 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -934.149458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.149458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.149458 (E_RNA) where: Base-Base interactions energy: -619.932 where: short stacking energy: -275.341 Base-Backbone interact. energy: 0.272 local terms energy: -314.489350 where: bonds (distance) C4'-P energy: -57.353 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -66.187 flat angles P-C4'-P energy: -48.077 tors. eta vs tors. theta energy: -78.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -796.433478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.433478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.433478 (E_RNA) where: Base-Base interactions energy: -508.956 where: short stacking energy: -223.465 Base-Backbone interact. energy: -0.024 local terms energy: -287.453872 where: bonds (distance) C4'-P energy: -65.756 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -39.815 tors. eta vs tors. theta energy: -59.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -702.513563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.513563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.513563 (E_RNA) where: Base-Base interactions energy: -438.566 where: short stacking energy: -204.274 Base-Backbone interact. energy: -2.533 local terms energy: -261.414368 where: bonds (distance) C4'-P energy: -63.679 bonds (distance) P-C4' energy: -57.020 flat angles C4'-P-C4' energy: -65.194 flat angles P-C4'-P energy: -31.955 tors. eta vs tors. theta energy: -43.567 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: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -728.389063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.389063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.389063 (E_RNA) where: Base-Base interactions energy: -463.731 where: short stacking energy: -215.131 Base-Backbone interact. energy: -0.816 local terms energy: -263.842028 where: bonds (distance) C4'-P energy: -52.085 bonds (distance) P-C4' energy: -57.215 flat angles C4'-P-C4' energy: -67.692 flat angles P-C4'-P energy: -33.759 tors. eta vs tors. theta energy: -53.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -508.836258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.836258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.836258 (E_RNA) where: Base-Base interactions energy: -296.772 where: short stacking energy: -153.468 Base-Backbone interact. energy: -1.045 local terms energy: -211.019388 where: bonds (distance) C4'-P energy: -47.734 bonds (distance) P-C4' energy: -56.428 flat angles C4'-P-C4' energy: -55.644 flat angles P-C4'-P energy: -26.407 tors. eta vs tors. theta energy: -24.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -434.685722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.685722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.685722 (E_RNA) where: Base-Base interactions energy: -242.813 where: short stacking energy: -114.733 Base-Backbone interact. energy: -0.127 local terms energy: -191.745597 where: bonds (distance) C4'-P energy: -53.860 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -46.370 flat angles P-C4'-P energy: -27.753 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -304.022603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.022603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.022603 (E_RNA) where: Base-Base interactions energy: -134.583 where: short stacking energy: -83.927 Base-Backbone interact. energy: -0.533 local terms energy: -168.906301 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -47.339 flat angles C4'-P-C4' energy: -49.057 flat angles P-C4'-P energy: -17.304 tors. eta vs tors. theta energy: 4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1099.425329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.425329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.425329 (E_RNA) where: Base-Base interactions energy: -750.709 where: short stacking energy: -309.382 Base-Backbone interact. energy: -0.224 local terms energy: -348.492432 where: bonds (distance) C4'-P energy: -64.313 bonds (distance) P-C4' energy: -59.426 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -54.943 tors. eta vs tors. theta energy: -98.749 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: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1053.871215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.871215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.871215 (E_RNA) where: Base-Base interactions energy: -707.976 where: short stacking energy: -299.799 Base-Backbone interact. energy: 0.121 local terms energy: -346.016219 where: bonds (distance) C4'-P energy: -62.017 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -79.450 flat angles P-C4'-P energy: -45.630 tors. eta vs tors. theta energy: -96.433 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: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1044.793072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.793072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.793072 (E_RNA) where: Base-Base interactions energy: -717.479 where: short stacking energy: -328.108 Base-Backbone interact. energy: -0.847 local terms energy: -326.467131 where: bonds (distance) C4'-P energy: -56.124 bonds (distance) P-C4' energy: -60.085 flat angles C4'-P-C4' energy: -75.764 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -89.732 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: 179 Temperature: 1.050000 Total energy: -944.425342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.425342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.425342 (E_RNA) where: Base-Base interactions energy: -637.662 where: short stacking energy: -275.946 Base-Backbone interact. energy: 4.950 local terms energy: -311.713946 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -39.286 tors. eta vs tors. theta energy: -77.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -800.607265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.607265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.607265 (E_RNA) where: Base-Base interactions energy: -501.825 where: short stacking energy: -219.554 Base-Backbone interact. energy: -0.932 local terms energy: -297.849382 where: bonds (distance) C4'-P energy: -57.147 bonds (distance) P-C4' energy: -60.807 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -59.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -727.507206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.507206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.507206 (E_RNA) where: Base-Base interactions energy: -472.625 where: short stacking energy: -218.940 Base-Backbone interact. energy: 1.565 local terms energy: -256.447958 where: bonds (distance) C4'-P energy: -40.949 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -58.882 flat angles P-C4'-P energy: -42.473 tors. eta vs tors. theta energy: -52.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -664.928013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.928013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.928013 (E_RNA) where: Base-Base interactions energy: -429.502 where: short stacking energy: -199.901 Base-Backbone interact. energy: 2.556 local terms energy: -237.982349 where: bonds (distance) C4'-P energy: -54.767 bonds (distance) P-C4' energy: -74.139 flat angles C4'-P-C4' energy: -46.366 flat angles P-C4'-P energy: -22.860 tors. eta vs tors. theta energy: -39.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -546.121822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.121822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.121822 (E_RNA) where: Base-Base interactions energy: -329.605 where: short stacking energy: -178.120 Base-Backbone interact. energy: -0.528 local terms energy: -215.988468 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -52.062 flat angles C4'-P-C4' energy: -54.210 flat angles P-C4'-P energy: -30.163 tors. eta vs tors. theta energy: -23.914 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: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -418.565281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.565281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.565281 (E_RNA) where: Base-Base interactions energy: -229.174 where: short stacking energy: -126.553 Base-Backbone interact. energy: 2.578 local terms energy: -191.969450 where: bonds (distance) C4'-P energy: -56.907 bonds (distance) P-C4' energy: -57.803 flat angles C4'-P-C4' energy: -51.530 flat angles P-C4'-P energy: -27.234 tors. eta vs tors. theta energy: 1.505 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -269.050099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.050099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.050099 (E_RNA) where: Base-Base interactions energy: -107.372 where: short stacking energy: -90.072 Base-Backbone interact. energy: -2.237 local terms energy: -159.441493 where: bonds (distance) C4'-P energy: -39.382 bonds (distance) P-C4' energy: -51.471 flat angles C4'-P-C4' energy: -45.757 flat angles P-C4'-P energy: -24.275 tors. eta vs tors. theta energy: 1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1098.668698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.668698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.668698 (E_RNA) where: Base-Base interactions energy: -759.297 where: short stacking energy: -310.813 Base-Backbone interact. energy: -2.322 local terms energy: -337.050390 where: bonds (distance) C4'-P energy: -54.213 bonds (distance) P-C4' energy: -70.382 flat angles C4'-P-C4' energy: -72.419 flat angles P-C4'-P energy: -48.975 tors. eta vs tors. theta energy: -91.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1064.359570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.359570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.359570 (E_RNA) where: Base-Base interactions energy: -718.384 where: short stacking energy: -296.594 Base-Backbone interact. energy: -1.699 local terms energy: -344.276996 where: bonds (distance) C4'-P energy: -57.456 bonds (distance) P-C4' energy: -66.646 flat angles C4'-P-C4' energy: -74.106 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: -92.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -995.358671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.358671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.358671 (E_RNA) where: Base-Base interactions energy: -662.242 where: short stacking energy: -307.145 Base-Backbone interact. energy: -1.178 local terms energy: -331.938381 where: bonds (distance) C4'-P energy: -62.882 bonds (distance) P-C4' energy: -64.715 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -87.062 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: 180 Temperature: 1.050000 Total energy: -939.022436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.022436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.022436 (E_RNA) where: Base-Base interactions energy: -639.047 where: short stacking energy: -274.367 Base-Backbone interact. energy: -0.334 local terms energy: -299.640719 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -58.557 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -36.060 tors. eta vs tors. theta energy: -85.644 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: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -830.866081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.866081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.866081 (E_RNA) where: Base-Base interactions energy: -525.909 where: short stacking energy: -246.712 Base-Backbone interact. energy: -4.000 local terms energy: -300.957081 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -65.621 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -51.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -693.903191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.903191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.903191 (E_RNA) where: Base-Base interactions energy: -426.847 where: short stacking energy: -204.811 Base-Backbone interact. energy: -0.996 local terms energy: -266.059769 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -35.487 tors. eta vs tors. theta energy: -53.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -659.525537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.525537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.525537 (E_RNA) where: Base-Base interactions energy: -429.515 where: short stacking energy: -181.839 Base-Backbone interact. energy: 0.264 local terms energy: -230.274164 where: bonds (distance) C4'-P energy: -50.145 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -50.166 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: -29.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -563.299341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.299341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.299341 (E_RNA) where: Base-Base interactions energy: -333.183 where: short stacking energy: -178.993 Base-Backbone interact. energy: -2.002 local terms energy: -228.114851 where: bonds (distance) C4'-P energy: -42.274 bonds (distance) P-C4' energy: -52.896 flat angles C4'-P-C4' energy: -53.873 flat angles P-C4'-P energy: -39.881 tors. eta vs tors. theta energy: -39.191 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: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -442.104322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.104322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.104322 (E_RNA) where: Base-Base interactions energy: -246.078 where: short stacking energy: -131.707 Base-Backbone interact. energy: -1.019 local terms energy: -195.007045 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -48.978 flat angles C4'-P-C4' energy: -50.278 flat angles P-C4'-P energy: -25.203 tors. eta vs tors. theta energy: -6.806 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: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -309.625481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.625481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.625481 (E_RNA) where: Base-Base interactions energy: -122.663 where: short stacking energy: -81.321 Base-Backbone interact. energy: 3.651 local terms energy: -190.612940 where: bonds (distance) C4'-P energy: -56.775 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -50.127 flat angles P-C4'-P energy: -28.728 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1083.804568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.804568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.804568 (E_RNA) where: Base-Base interactions energy: -741.346 where: short stacking energy: -330.501 Base-Backbone interact. energy: -0.642 local terms energy: -341.816424 where: bonds (distance) C4'-P energy: -59.327 bonds (distance) P-C4' energy: -60.230 flat angles C4'-P-C4' energy: -73.450 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -96.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1052.957126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.957126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.957126 (E_RNA) where: Base-Base interactions energy: -717.093 where: short stacking energy: -303.667 Base-Backbone interact. energy: -1.219 local terms energy: -334.644332 where: bonds (distance) C4'-P energy: -57.369 bonds (distance) P-C4' energy: -54.785 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -94.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -993.728108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.728108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.728108 (E_RNA) where: Base-Base interactions energy: -656.085 where: short stacking energy: -306.249 Base-Backbone interact. energy: -0.730 local terms energy: -336.912964 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -44.077 tors. eta vs tors. theta energy: -93.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -912.957195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.957195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.957195 (E_RNA) where: Base-Base interactions energy: -605.270 where: short stacking energy: -272.483 Base-Backbone interact. energy: -0.648 local terms energy: -307.039686 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -69.995 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -37.745 tors. eta vs tors. theta energy: -69.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -841.558296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.558296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.558296 (E_RNA) where: Base-Base interactions energy: -532.883 where: short stacking energy: -247.304 Base-Backbone interact. energy: -2.190 local terms energy: -306.485100 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -64.382 flat angles C4'-P-C4' energy: -71.120 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -67.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -706.349585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.349585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.349585 (E_RNA) where: Base-Base interactions energy: -450.840 where: short stacking energy: -204.896 Base-Backbone interact. energy: -0.866 local terms energy: -254.644022 where: bonds (distance) C4'-P energy: -52.764 bonds (distance) P-C4' energy: -60.852 flat angles C4'-P-C4' energy: -57.075 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -43.866 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: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -656.760281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.760281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.760281 (E_RNA) where: Base-Base interactions energy: -406.756 where: short stacking energy: -177.704 Base-Backbone interact. energy: -1.919 local terms energy: -248.084907 where: bonds (distance) C4'-P energy: -58.553 bonds (distance) P-C4' energy: -58.213 flat angles C4'-P-C4' energy: -49.069 flat angles P-C4'-P energy: -44.189 tors. eta vs tors. theta energy: -38.060 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: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -549.135079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.135079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.135079 (E_RNA) where: Base-Base interactions energy: -318.358 where: short stacking energy: -172.562 Base-Backbone interact. energy: 0.721 local terms energy: -231.498125 where: bonds (distance) C4'-P energy: -49.754 bonds (distance) P-C4' energy: -59.309 flat angles C4'-P-C4' energy: -59.254 flat angles P-C4'-P energy: -28.954 tors. eta vs tors. theta energy: -34.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -435.313078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.313078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.313078 (E_RNA) where: Base-Base interactions energy: -228.045 where: short stacking energy: -122.043 Base-Backbone interact. energy: -1.896 local terms energy: -205.372525 where: bonds (distance) C4'-P energy: -56.877 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -44.110 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: -9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -379.393257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.393257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.393257 (E_RNA) where: Base-Base interactions energy: -170.926 where: short stacking energy: -100.015 Base-Backbone interact. energy: 1.035 local terms energy: -209.502755 where: bonds (distance) C4'-P energy: -54.476 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -57.199 flat angles P-C4'-P energy: -27.787 tors. eta vs tors. theta energy: -5.688 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1093.667497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.667497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.667497 (E_RNA) where: Base-Base interactions energy: -741.522 where: short stacking energy: -321.898 Base-Backbone interact. energy: -4.561 local terms energy: -347.584975 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -67.896 flat angles C4'-P-C4' energy: -79.929 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: -95.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1065.316458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.316458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.316458 (E_RNA) where: Base-Base interactions energy: -717.506 where: short stacking energy: -310.422 Base-Backbone interact. energy: -1.314 local terms energy: -346.495970 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -73.854 flat angles P-C4'-P energy: -50.246 tors. eta vs tors. theta energy: -88.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1010.178978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.178978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.178978 (E_RNA) where: Base-Base interactions energy: -679.762 where: short stacking energy: -307.282 Base-Backbone interact. energy: -0.774 local terms energy: -329.643269 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -55.685 flat angles C4'-P-C4' energy: -69.947 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -94.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -892.292921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.292921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.292921 (E_RNA) where: Base-Base interactions energy: -580.289 where: short stacking energy: -257.258 Base-Backbone interact. energy: -0.046 local terms energy: -311.957620 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: -83.440 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: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -822.250846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.250846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.250846 (E_RNA) where: Base-Base interactions energy: -535.210 where: short stacking energy: -250.195 Base-Backbone interact. energy: -2.072 local terms energy: -284.968047 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -50.256 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -72.706 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: 182 Temperature: 1.150000 Total energy: -789.202476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.202476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.202476 (E_RNA) where: Base-Base interactions energy: -535.361 where: short stacking energy: -224.910 Base-Backbone interact. energy: -0.207 local terms energy: -253.633981 where: bonds (distance) C4'-P energy: -53.328 bonds (distance) P-C4' energy: -64.415 flat angles C4'-P-C4' energy: -59.340 flat angles P-C4'-P energy: -21.062 tors. eta vs tors. theta energy: -55.489 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: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -670.713940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.713940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.713940 (E_RNA) where: Base-Base interactions energy: -422.387 where: short stacking energy: -193.550 Base-Backbone interact. energy: -0.579 local terms energy: -247.748119 where: bonds (distance) C4'-P energy: -48.732 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -61.812 flat angles P-C4'-P energy: -37.162 tors. eta vs tors. theta energy: -44.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -534.838114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.838114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.838114 (E_RNA) where: Base-Base interactions energy: -312.326 where: short stacking energy: -151.190 Base-Backbone interact. energy: -0.782 local terms energy: -221.730677 where: bonds (distance) C4'-P energy: -50.034 bonds (distance) P-C4' energy: -57.238 flat angles C4'-P-C4' energy: -58.934 flat angles P-C4'-P energy: -33.007 tors. eta vs tors. theta energy: -22.517 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: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -476.394484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.394484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.394484 (E_RNA) where: Base-Base interactions energy: -280.321 where: short stacking energy: -153.763 Base-Backbone interact. energy: -2.348 local terms energy: -193.725296 where: bonds (distance) C4'-P energy: -59.596 bonds (distance) P-C4' energy: -49.995 flat angles C4'-P-C4' energy: -48.803 flat angles P-C4'-P energy: -19.793 tors. eta vs tors. theta energy: -15.538 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -366.667804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.667804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.667804 (E_RNA) where: Base-Base interactions energy: -170.255 where: short stacking energy: -105.958 Base-Backbone interact. energy: 2.564 local terms energy: -198.977230 where: bonds (distance) C4'-P energy: -42.599 bonds (distance) P-C4' energy: -54.854 flat angles C4'-P-C4' energy: -55.141 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -10.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1089.913690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.913690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.913690 (E_RNA) where: Base-Base interactions energy: -751.093 where: short stacking energy: -327.135 Base-Backbone interact. energy: -0.428 local terms energy: -338.392676 where: bonds (distance) C4'-P energy: -51.168 bonds (distance) P-C4' energy: -65.212 flat angles C4'-P-C4' energy: -72.650 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -96.728 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: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1037.817471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.817471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.817471 (E_RNA) where: Base-Base interactions energy: -680.616 where: short stacking energy: -304.407 Base-Backbone interact. energy: -1.972 local terms energy: -355.229768 where: bonds (distance) C4'-P energy: -65.443 bonds (distance) P-C4' energy: -70.413 flat angles C4'-P-C4' energy: -73.564 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -95.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -997.135597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.135597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.135597 (E_RNA) where: Base-Base interactions energy: -668.132 where: short stacking energy: -291.003 Base-Backbone interact. energy: -1.761 local terms energy: -327.242295 where: bonds (distance) C4'-P energy: -63.263 bonds (distance) P-C4' energy: -59.061 flat angles C4'-P-C4' energy: -67.336 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -95.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -910.195223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.195223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.195223 (E_RNA) where: Base-Base interactions energy: -611.838 where: short stacking energy: -265.286 Base-Backbone interact. energy: -0.604 local terms energy: -297.753304 where: bonds (distance) C4'-P energy: -50.188 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -64.309 flat angles P-C4'-P energy: -46.147 tors. eta vs tors. theta energy: -72.502 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: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -805.924335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.924335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.924335 (E_RNA) where: Base-Base interactions energy: -532.983 where: short stacking energy: -227.909 Base-Backbone interact. energy: -0.230 local terms energy: -272.710768 where: bonds (distance) C4'-P energy: -46.758 bonds (distance) P-C4' energy: -62.985 flat angles C4'-P-C4' energy: -65.541 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -56.374 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: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -788.200428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.200428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.200428 (E_RNA) where: Base-Base interactions energy: -523.598 where: short stacking energy: -215.911 Base-Backbone interact. energy: -1.342 local terms energy: -263.259778 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -55.657 flat angles C4'-P-C4' energy: -60.931 flat angles P-C4'-P energy: -32.581 tors. eta vs tors. theta energy: -49.119 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: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -687.299753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.299753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.299753 (E_RNA) where: Base-Base interactions energy: -442.247 where: short stacking energy: -205.311 Base-Backbone interact. energy: -1.926 local terms energy: -243.127069 where: bonds (distance) C4'-P energy: -52.106 bonds (distance) P-C4' energy: -54.335 flat angles C4'-P-C4' energy: -55.085 flat angles P-C4'-P energy: -37.076 tors. eta vs tors. theta energy: -44.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -613.171647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.171647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.171647 (E_RNA) where: Base-Base interactions energy: -378.813 where: short stacking energy: -189.982 Base-Backbone interact. energy: 1.025 local terms energy: -235.383029 where: bonds (distance) C4'-P energy: -47.921 bonds (distance) P-C4' energy: -62.869 flat angles C4'-P-C4' energy: -59.061 flat angles P-C4'-P energy: -28.930 tors. eta vs tors. theta energy: -36.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -471.172296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.172296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.172296 (E_RNA) where: Base-Base interactions energy: -235.866 where: short stacking energy: -126.011 Base-Backbone interact. energy: 0.354 local terms energy: -235.659854 where: bonds (distance) C4'-P energy: -54.119 bonds (distance) P-C4' energy: -69.834 flat angles C4'-P-C4' energy: -60.320 flat angles P-C4'-P energy: -33.414 tors. eta vs tors. theta energy: -17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -358.642967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.642967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.642967 (E_RNA) where: Base-Base interactions energy: -175.661 where: short stacking energy: -101.833 Base-Backbone interact. energy: -2.421 local terms energy: -180.561088 where: bonds (distance) C4'-P energy: -46.236 bonds (distance) P-C4' energy: -49.000 flat angles C4'-P-C4' energy: -48.707 flat angles P-C4'-P energy: -31.669 tors. eta vs tors. theta energy: -4.949 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: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1091.889142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.889142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.889142 (E_RNA) where: Base-Base interactions energy: -758.688 where: short stacking energy: -319.794 Base-Backbone interact. energy: -1.378 local terms energy: -331.823097 where: bonds (distance) C4'-P energy: -56.161 bonds (distance) P-C4' energy: -53.782 flat angles C4'-P-C4' energy: -73.350 flat angles P-C4'-P energy: -48.940 tors. eta vs tors. theta energy: -99.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1054.409639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.409639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.409639 (E_RNA) where: Base-Base interactions energy: -711.397 where: short stacking energy: -318.022 Base-Backbone interact. energy: 0.308 local terms energy: -343.320726 where: bonds (distance) C4'-P energy: -68.554 bonds (distance) P-C4' energy: -63.356 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -44.420 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: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1033.494097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.494097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.494097 (E_RNA) where: Base-Base interactions energy: -705.253 where: short stacking energy: -317.646 Base-Backbone interact. energy: -1.000 local terms energy: -327.241037 where: bonds (distance) C4'-P energy: -62.761 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -87.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -919.869394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.869394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.869394 (E_RNA) where: Base-Base interactions energy: -613.634 where: short stacking energy: -296.439 Base-Backbone interact. energy: 1.219 local terms energy: -307.454207 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -62.671 flat angles C4'-P-C4' energy: -67.600 flat angles P-C4'-P energy: -43.980 tors. eta vs tors. theta energy: -74.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -800.837690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.837690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.837690 (E_RNA) where: Base-Base interactions energy: -509.263 where: short stacking energy: -256.374 Base-Backbone interact. energy: -1.927 local terms energy: -289.647262 where: bonds (distance) C4'-P energy: -54.157 bonds (distance) P-C4' energy: -55.829 flat angles C4'-P-C4' energy: -73.840 flat angles P-C4'-P energy: -31.765 tors. eta vs tors. theta energy: -74.056 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: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -775.837841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.837841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.837841 (E_RNA) where: Base-Base interactions energy: -538.753 where: short stacking energy: -227.511 Base-Backbone interact. energy: -0.900 local terms energy: -236.185169 where: bonds (distance) C4'-P energy: -38.802 bonds (distance) P-C4' energy: -54.434 flat angles C4'-P-C4' energy: -53.431 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: -47.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -704.780962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.780962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.780962 (E_RNA) where: Base-Base interactions energy: -457.438 where: short stacking energy: -202.745 Base-Backbone interact. energy: -2.679 local terms energy: -244.664091 where: bonds (distance) C4'-P energy: -52.360 bonds (distance) P-C4' energy: -41.083 flat angles C4'-P-C4' energy: -47.278 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -56.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -560.222023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.222023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.222023 (E_RNA) where: Base-Base interactions energy: -336.125 where: short stacking energy: -140.958 Base-Backbone interact. energy: -0.045 local terms energy: -224.052277 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -53.414 flat angles C4'-P-C4' energy: -57.797 flat angles P-C4'-P energy: -27.471 tors. eta vs tors. theta energy: -29.151 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: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -415.522716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.522716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.522716 (E_RNA) where: Base-Base interactions energy: -202.053 where: short stacking energy: -113.938 Base-Backbone interact. energy: -2.288 local terms energy: -211.182462 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -52.401 flat angles P-C4'-P energy: -33.956 tors. eta vs tors. theta energy: -10.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -412.394141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.394141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.394141 (E_RNA) where: Base-Base interactions energy: -222.741 where: short stacking energy: -106.635 Base-Backbone interact. energy: -0.655 local terms energy: -188.998350 where: bonds (distance) C4'-P energy: -49.845 bonds (distance) P-C4' energy: -56.950 flat angles C4'-P-C4' energy: -44.316 flat angles P-C4'-P energy: -33.085 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1105.131265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.131265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.131265 (E_RNA) where: Base-Base interactions energy: -752.336 where: short stacking energy: -322.067 Base-Backbone interact. energy: -2.407 local terms energy: -350.387766 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -68.108 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -95.092 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: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1050.292679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.292679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.292679 (E_RNA) where: Base-Base interactions energy: -707.278 where: short stacking energy: -314.207 Base-Backbone interact. energy: -1.002 local terms energy: -342.012957 where: bonds (distance) C4'-P energy: -58.442 bonds (distance) P-C4' energy: -73.358 flat angles C4'-P-C4' energy: -72.635 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -90.059 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: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1005.321051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.321051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.321051 (E_RNA) where: Base-Base interactions energy: -674.348 where: short stacking energy: -299.810 Base-Backbone interact. energy: -0.941 local terms energy: -330.032860 where: bonds (distance) C4'-P energy: -58.872 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -63.178 flat angles P-C4'-P energy: -53.767 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: 185 Temperature: 1.050000 Total energy: -881.805539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.805539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.805539 (E_RNA) where: Base-Base interactions energy: -583.492 where: short stacking energy: -250.257 Base-Backbone interact. energy: 0.758 local terms energy: -299.071947 where: bonds (distance) C4'-P energy: -62.949 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -66.282 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -69.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -782.038317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.038317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.038317 (E_RNA) where: Base-Base interactions energy: -500.249 where: short stacking energy: -229.985 Base-Backbone interact. energy: 2.046 local terms energy: -283.835396 where: bonds (distance) C4'-P energy: -59.766 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -62.483 flat angles P-C4'-P energy: -46.133 tors. eta vs tors. theta energy: -54.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -791.508814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.508814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.508814 (E_RNA) where: Base-Base interactions energy: -526.042 where: short stacking energy: -226.235 Base-Backbone interact. energy: 0.967 local terms energy: -266.433737 where: bonds (distance) C4'-P energy: -53.744 bonds (distance) P-C4' energy: -57.408 flat angles C4'-P-C4' energy: -64.735 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -45.473 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: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -678.125344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.125344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.125344 (E_RNA) where: Base-Base interactions energy: -433.699 where: short stacking energy: -198.875 Base-Backbone interact. energy: -0.758 local terms energy: -243.668082 where: bonds (distance) C4'-P energy: -57.988 bonds (distance) P-C4' energy: -50.297 flat angles C4'-P-C4' energy: -56.805 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -40.507 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: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -548.512685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.512685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.512685 (E_RNA) where: Base-Base interactions energy: -317.648 where: short stacking energy: -147.269 Base-Backbone interact. energy: -1.001 local terms energy: -229.863576 where: bonds (distance) C4'-P energy: -65.199 bonds (distance) P-C4' energy: -51.328 flat angles C4'-P-C4' energy: -60.176 flat angles P-C4'-P energy: -21.473 tors. eta vs tors. theta energy: -31.687 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: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -422.351669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.351669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.351669 (E_RNA) where: Base-Base interactions energy: -224.067 where: short stacking energy: -128.688 Base-Backbone interact. energy: 3.899 local terms energy: -202.182910 where: bonds (distance) C4'-P energy: -34.390 bonds (distance) P-C4' energy: -65.683 flat angles C4'-P-C4' energy: -43.792 flat angles P-C4'-P energy: -38.795 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -425.266762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.266762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.266762 (E_RNA) where: Base-Base interactions energy: -225.325 where: short stacking energy: -128.428 Base-Backbone interact. energy: -0.487 local terms energy: -199.454286 where: bonds (distance) C4'-P energy: -50.419 bonds (distance) P-C4' energy: -54.638 flat angles C4'-P-C4' energy: -41.383 flat angles P-C4'-P energy: -34.312 tors. eta vs tors. theta energy: -18.702 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: 186 Temperature: 0.900000 Total energy: -1083.998051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.998051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.998051 (E_RNA) where: Base-Base interactions energy: -732.799 where: short stacking energy: -308.515 Base-Backbone interact. energy: 0.065 local terms energy: -351.264075 where: bonds (distance) C4'-P energy: -55.341 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -96.866 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: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1047.026381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.026381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.026381 (E_RNA) where: Base-Base interactions energy: -705.339 where: short stacking energy: -313.194 Base-Backbone interact. energy: -0.337 local terms energy: -341.350467 where: bonds (distance) C4'-P energy: -66.035 bonds (distance) P-C4' energy: -70.879 flat angles C4'-P-C4' energy: -70.275 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -88.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1007.918314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.918314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.918314 (E_RNA) where: Base-Base interactions energy: -671.557 where: short stacking energy: -299.964 Base-Backbone interact. energy: 1.195 local terms energy: -337.557045 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -71.541 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -85.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -860.214274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.214274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.214274 (E_RNA) where: Base-Base interactions energy: -567.836 where: short stacking energy: -256.640 Base-Backbone interact. energy: 2.305 local terms energy: -294.683671 where: bonds (distance) C4'-P energy: -65.126 bonds (distance) P-C4' energy: -56.900 flat angles C4'-P-C4' energy: -67.783 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -67.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -801.807081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.807081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.807081 (E_RNA) where: Base-Base interactions energy: -531.885 where: short stacking energy: -245.612 Base-Backbone interact. energy: 2.866 local terms energy: -272.787202 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -53.868 flat angles C4'-P-C4' energy: -60.461 flat angles P-C4'-P energy: -36.234 tors. eta vs tors. theta energy: -61.661 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: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -791.380061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.380061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.380061 (E_RNA) where: Base-Base interactions energy: -521.957 where: short stacking energy: -229.979 Base-Backbone interact. energy: -2.907 local terms energy: -266.515994 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -65.001 flat angles C4'-P-C4' energy: -59.877 flat angles P-C4'-P energy: -29.536 tors. eta vs tors. theta energy: -51.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -697.947992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.947992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.947992 (E_RNA) where: Base-Base interactions energy: -444.784 where: short stacking energy: -226.018 Base-Backbone interact. energy: -0.815 local terms energy: -252.349395 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -57.089 flat angles C4'-P-C4' energy: -56.953 flat angles P-C4'-P energy: -26.268 tors. eta vs tors. theta energy: -53.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -571.123771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.123771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.123771 (E_RNA) where: Base-Base interactions energy: -329.873 where: short stacking energy: -156.994 Base-Backbone interact. energy: -2.313 local terms energy: -238.937434 where: bonds (distance) C4'-P energy: -60.265 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -57.011 flat angles P-C4'-P energy: -37.766 tors. eta vs tors. theta energy: -24.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -478.778297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.778297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.778297 (E_RNA) where: Base-Base interactions energy: -270.097 where: short stacking energy: -141.298 Base-Backbone interact. energy: -1.240 local terms energy: -207.441658 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -44.348 flat angles C4'-P-C4' energy: -46.315 flat angles P-C4'-P energy: -33.706 tors. eta vs tors. theta energy: -23.755 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: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -299.986173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.986173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.986173 (E_RNA) where: Base-Base interactions energy: -129.678 where: short stacking energy: -88.190 Base-Backbone interact. energy: 0.525 local terms energy: -170.833198 where: bonds (distance) C4'-P energy: -47.556 bonds (distance) P-C4' energy: -54.555 flat angles C4'-P-C4' energy: -47.499 flat angles P-C4'-P energy: -27.714 tors. eta vs tors. theta energy: 6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1111.216377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.216377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.216377 (E_RNA) where: Base-Base interactions energy: -764.107 where: short stacking energy: -327.308 Base-Backbone interact. energy: -2.101 local terms energy: -345.008629 where: bonds (distance) C4'-P energy: -58.905 bonds (distance) P-C4' energy: -66.742 flat angles C4'-P-C4' energy: -69.106 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -94.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1050.449325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.449325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.449325 (E_RNA) where: Base-Base interactions energy: -708.964 where: short stacking energy: -324.527 Base-Backbone interact. energy: -0.822 local terms energy: -340.663258 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -63.662 flat angles C4'-P-C4' energy: -70.606 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: -93.651 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: 3, replica: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -995.697752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.697752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.697752 (E_RNA) where: Base-Base interactions energy: -680.291 where: short stacking energy: -296.364 Base-Backbone interact. energy: -2.497 local terms energy: -312.909988 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -50.686 flat angles C4'-P-C4' energy: -70.736 flat angles P-C4'-P energy: -38.476 tors. eta vs tors. theta energy: -91.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -880.445552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.445552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.445552 (E_RNA) where: Base-Base interactions energy: -594.095 where: short stacking energy: -259.407 Base-Backbone interact. energy: -0.189 local terms energy: -286.161503 where: bonds (distance) C4'-P energy: -64.921 bonds (distance) P-C4' energy: -52.960 flat angles C4'-P-C4' energy: -61.424 flat angles P-C4'-P energy: -37.444 tors. eta vs tors. theta energy: -69.412 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: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -852.785386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.785386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.785386 (E_RNA) where: Base-Base interactions energy: -563.503 where: short stacking energy: -246.424 Base-Backbone interact. energy: -0.620 local terms energy: -288.662895 where: bonds (distance) C4'-P energy: -53.501 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -46.284 tors. eta vs tors. theta energy: -64.337 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: 187 Temperature: 1.150000 Total energy: -799.132514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.132514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.132514 (E_RNA) where: Base-Base interactions energy: -538.871 where: short stacking energy: -234.688 Base-Backbone interact. energy: -1.379 local terms energy: -258.882497 where: bonds (distance) C4'-P energy: -52.541 bonds (distance) P-C4' energy: -54.921 flat angles C4'-P-C4' energy: -71.338 flat angles P-C4'-P energy: -27.922 tors. eta vs tors. theta energy: -52.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -707.328461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.328461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.328461 (E_RNA) where: Base-Base interactions energy: -454.260 where: short stacking energy: -200.770 Base-Backbone interact. energy: 0.519 local terms energy: -253.588015 where: bonds (distance) C4'-P energy: -55.000 bonds (distance) P-C4' energy: -64.838 flat angles C4'-P-C4' energy: -54.409 flat angles P-C4'-P energy: -38.648 tors. eta vs tors. theta energy: -40.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -596.623987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.623987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.623987 (E_RNA) where: Base-Base interactions energy: -359.833 where: short stacking energy: -194.078 Base-Backbone interact. energy: -1.067 local terms energy: -235.723552 where: bonds (distance) C4'-P energy: -49.533 bonds (distance) P-C4' energy: -44.409 flat angles C4'-P-C4' energy: -58.327 flat angles P-C4'-P energy: -40.147 tors. eta vs tors. theta energy: -43.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -449.007710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.007710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.007710 (E_RNA) where: Base-Base interactions energy: -242.976 where: short stacking energy: -141.781 Base-Backbone interact. energy: 1.716 local terms energy: -207.748611 where: bonds (distance) C4'-P energy: -50.311 bonds (distance) P-C4' energy: -69.706 flat angles C4'-P-C4' energy: -47.170 flat angles P-C4'-P energy: -34.866 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -274.301126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.301126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.301126 (E_RNA) where: Base-Base interactions energy: -87.788 where: short stacking energy: -72.374 Base-Backbone interact. energy: -1.029 local terms energy: -185.483556 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -34.423 flat angles P-C4'-P energy: -35.739 tors. eta vs tors. theta energy: 2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1113.628625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.628625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.628625 (E_RNA) where: Base-Base interactions energy: -751.483 where: short stacking energy: -312.812 Base-Backbone interact. energy: -1.045 local terms energy: -361.100618 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -72.218 flat angles C4'-P-C4' energy: -76.252 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: -98.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1039.168013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.168013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.168013 (E_RNA) where: Base-Base interactions energy: -711.974 where: short stacking energy: -306.107 Base-Backbone interact. energy: -1.621 local terms energy: -325.572850 where: bonds (distance) C4'-P energy: -52.035 bonds (distance) P-C4' energy: -65.135 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -54.197 tors. eta vs tors. theta energy: -83.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -995.377818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.377818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.377818 (E_RNA) where: Base-Base interactions energy: -669.242 where: short stacking energy: -282.067 Base-Backbone interact. energy: 0.392 local terms energy: -326.527546 where: bonds (distance) C4'-P energy: -66.324 bonds (distance) P-C4' energy: -69.823 flat angles C4'-P-C4' energy: -64.012 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -83.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -912.785810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.785810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.785810 (E_RNA) where: Base-Base interactions energy: -600.914 where: short stacking energy: -270.331 Base-Backbone interact. energy: 0.224 local terms energy: -312.095797 where: bonds (distance) C4'-P energy: -58.387 bonds (distance) P-C4' energy: -61.696 flat angles C4'-P-C4' energy: -71.921 flat angles P-C4'-P energy: -40.642 tors. eta vs tors. theta energy: -79.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -843.899789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.899789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.899789 (E_RNA) where: Base-Base interactions energy: -574.562 where: short stacking energy: -243.625 Base-Backbone interact. energy: 0.673 local terms energy: -270.010187 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -51.750 flat angles C4'-P-C4' energy: -59.597 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -59.537 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: 8 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -785.308702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.308702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.308702 (E_RNA) where: Base-Base interactions energy: -516.235 where: short stacking energy: -212.929 Base-Backbone interact. energy: 0.276 local terms energy: -269.349455 where: bonds (distance) C4'-P energy: -55.996 bonds (distance) P-C4' energy: -68.600 flat angles C4'-P-C4' energy: -47.688 flat angles P-C4'-P energy: -42.493 tors. eta vs tors. theta energy: -54.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -711.860976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.860976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.860976 (E_RNA) where: Base-Base interactions energy: -448.123 where: short stacking energy: -207.238 Base-Backbone interact. energy: -0.735 local terms energy: -263.002578 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -45.074 flat angles C4'-P-C4' energy: -67.556 flat angles P-C4'-P energy: -40.649 tors. eta vs tors. theta energy: -52.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -647.039936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.039936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.039936 (E_RNA) where: Base-Base interactions energy: -399.140 where: short stacking energy: -192.353 Base-Backbone interact. energy: 0.108 local terms energy: -248.007770 where: bonds (distance) C4'-P energy: -48.873 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -55.774 flat angles P-C4'-P energy: -43.544 tors. eta vs tors. theta energy: -40.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -466.349506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.349506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.349506 (E_RNA) where: Base-Base interactions energy: -264.651 where: short stacking energy: -146.148 Base-Backbone interact. energy: 0.844 local terms energy: -202.543301 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -59.817 flat angles C4'-P-C4' energy: -48.614 flat angles P-C4'-P energy: -21.175 tors. eta vs tors. theta energy: -17.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -270.661011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.661011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.661011 (E_RNA) where: Base-Base interactions energy: -100.322 where: short stacking energy: -63.202 Base-Backbone interact. energy: -1.595 local terms energy: -168.743840 where: bonds (distance) C4'-P energy: -60.161 bonds (distance) P-C4' energy: -51.318 flat angles C4'-P-C4' energy: -45.731 flat angles P-C4'-P energy: -18.577 tors. eta vs tors. theta energy: 7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1078.000323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.000323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.000323 (E_RNA) where: Base-Base interactions energy: -726.702 where: short stacking energy: -313.241 Base-Backbone interact. energy: -1.082 local terms energy: -350.216943 where: bonds (distance) C4'-P energy: -66.954 bonds (distance) P-C4' energy: -72.432 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -54.910 tors. eta vs tors. theta energy: -91.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1080.744108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.744108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.744108 (E_RNA) where: Base-Base interactions energy: -733.304 where: short stacking energy: -322.392 Base-Backbone interact. energy: 0.826 local terms energy: -348.266451 where: bonds (distance) C4'-P energy: -66.277 bonds (distance) P-C4' energy: -67.436 flat angles C4'-P-C4' energy: -70.466 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -93.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1028.190650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.190650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.190650 (E_RNA) where: Base-Base interactions energy: -714.253 where: short stacking energy: -293.211 Base-Backbone interact. energy: -1.623 local terms energy: -312.315243 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -32.284 tors. eta vs tors. theta energy: -88.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -928.356347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.356347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.356347 (E_RNA) where: Base-Base interactions energy: -650.481 where: short stacking energy: -282.857 Base-Backbone interact. energy: 2.474 local terms energy: -280.350043 where: bonds (distance) C4'-P energy: -51.613 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -60.478 flat angles P-C4'-P energy: -37.099 tors. eta vs tors. theta energy: -69.687 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: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -876.678261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.678261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.678261 (E_RNA) where: Base-Base interactions energy: -577.223 where: short stacking energy: -254.193 Base-Backbone interact. energy: 0.729 local terms energy: -300.184293 where: bonds (distance) C4'-P energy: -56.253 bonds (distance) P-C4' energy: -70.706 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -61.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -799.641799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.641799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.641799 (E_RNA) where: Base-Base interactions energy: -518.087 where: short stacking energy: -216.119 Base-Backbone interact. energy: -0.282 local terms energy: -281.272898 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -63.373 flat angles C4'-P-C4' energy: -62.950 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -59.256 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: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -675.311382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.311382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.311382 (E_RNA) where: Base-Base interactions energy: -426.136 where: short stacking energy: -201.706 Base-Backbone interact. energy: -1.563 local terms energy: -247.611726 where: bonds (distance) C4'-P energy: -50.622 bonds (distance) P-C4' energy: -59.965 flat angles C4'-P-C4' energy: -46.596 flat angles P-C4'-P energy: -36.547 tors. eta vs tors. theta energy: -53.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -638.533800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.533800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.533800 (E_RNA) where: Base-Base interactions energy: -400.832 where: short stacking energy: -186.488 Base-Backbone interact. energy: 1.031 local terms energy: -238.732939 where: bonds (distance) C4'-P energy: -58.304 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -52.254 flat angles P-C4'-P energy: -29.689 tors. eta vs tors. theta energy: -36.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -512.936572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.936572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.936572 (E_RNA) where: Base-Base interactions energy: -296.565 where: short stacking energy: -144.092 Base-Backbone interact. energy: -0.316 local terms energy: -216.055451 where: bonds (distance) C4'-P energy: -58.907 bonds (distance) P-C4' energy: -49.975 flat angles C4'-P-C4' energy: -47.880 flat angles P-C4'-P energy: -33.038 tors. eta vs tors. theta energy: -26.256 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -278.993627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.993627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.993627 (E_RNA) where: Base-Base interactions energy: -111.297 where: short stacking energy: -80.811 Base-Backbone interact. energy: 0.205 local terms energy: -167.901934 where: bonds (distance) C4'-P energy: -49.756 bonds (distance) P-C4' energy: -56.982 flat angles C4'-P-C4' energy: -45.091 flat angles P-C4'-P energy: -16.193 tors. eta vs tors. theta energy: 0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1073.745454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.745454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.745454 (E_RNA) where: Base-Base interactions energy: -728.650 where: short stacking energy: -310.849 Base-Backbone interact. energy: -0.887 local terms energy: -344.208744 where: bonds (distance) C4'-P energy: -65.238 bonds (distance) P-C4' energy: -66.652 flat angles C4'-P-C4' energy: -64.718 flat angles P-C4'-P energy: -54.297 tors. eta vs tors. theta energy: -93.304 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: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1070.060841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.060841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.060841 (E_RNA) where: Base-Base interactions energy: -720.957 where: short stacking energy: -309.416 Base-Backbone interact. energy: -0.715 local terms energy: -348.388982 where: bonds (distance) C4'-P energy: -58.660 bonds (distance) P-C4' energy: -68.327 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -56.176 tors. eta vs tors. theta energy: -95.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1009.547514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.547514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.547514 (E_RNA) where: Base-Base interactions energy: -682.192 where: short stacking energy: -287.711 Base-Backbone interact. energy: -1.757 local terms energy: -325.598750 where: bonds (distance) C4'-P energy: -61.767 bonds (distance) P-C4' energy: -64.345 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: -86.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -914.688769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.688769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.688769 (E_RNA) where: Base-Base interactions energy: -615.289 where: short stacking energy: -266.344 Base-Backbone interact. energy: -2.238 local terms energy: -297.161463 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: -70.334 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: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -885.034891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.034891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.034891 (E_RNA) where: Base-Base interactions energy: -576.583 where: short stacking energy: -264.264 Base-Backbone interact. energy: -1.153 local terms energy: -307.298755 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -70.413 flat angles C4'-P-C4' energy: -61.575 flat angles P-C4'-P energy: -43.377 tors. eta vs tors. theta energy: -69.926 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: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -791.310830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.310830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.310830 (E_RNA) where: Base-Base interactions energy: -509.002 where: short stacking energy: -232.286 Base-Backbone interact. energy: -2.206 local terms energy: -280.102360 where: bonds (distance) C4'-P energy: -49.981 bonds (distance) P-C4' energy: -59.391 flat angles C4'-P-C4' energy: -71.163 flat angles P-C4'-P energy: -40.664 tors. eta vs tors. theta energy: -58.903 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: 190 Temperature: 1.200000 Total energy: -646.787062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.787062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.787062 (E_RNA) where: Base-Base interactions energy: -426.880 where: short stacking energy: -211.762 Base-Backbone interact. energy: -1.497 local terms energy: -218.410447 where: bonds (distance) C4'-P energy: -46.535 bonds (distance) P-C4' energy: -44.712 flat angles C4'-P-C4' energy: -50.421 flat angles P-C4'-P energy: -41.845 tors. eta vs tors. theta energy: -34.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -598.394926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.394926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.394926 (E_RNA) where: Base-Base interactions energy: -374.208 where: short stacking energy: -177.179 Base-Backbone interact. energy: 6.103 local terms energy: -230.290171 where: bonds (distance) C4'-P energy: -47.461 bonds (distance) P-C4' energy: -52.006 flat angles C4'-P-C4' energy: -63.254 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -31.610 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: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -542.814372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.814372 (E_RNA) where: Base-Base interactions energy: -311.593 where: short stacking energy: -154.021 Base-Backbone interact. energy: -1.243 local terms energy: -229.978636 where: bonds (distance) C4'-P energy: -59.285 bonds (distance) P-C4' energy: -56.278 flat angles C4'-P-C4' energy: -56.406 flat angles P-C4'-P energy: -23.487 tors. eta vs tors. theta energy: -34.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -283.101891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.101891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.101891 (E_RNA) where: Base-Base interactions energy: -98.676 where: short stacking energy: -70.114 Base-Backbone interact. energy: 0.390 local terms energy: -184.815594 where: bonds (distance) C4'-P energy: -51.910 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -40.885 flat angles P-C4'-P energy: -26.587 tors. eta vs tors. theta energy: 1.898 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: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1062.382844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.382844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.382844 (E_RNA) where: Base-Base interactions energy: -731.060 where: short stacking energy: -323.781 Base-Backbone interact. energy: 0.049 local terms energy: -331.371904 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -61.985 flat angles C4'-P-C4' energy: -70.865 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -87.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1059.963120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.963120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.963120 (E_RNA) where: Base-Base interactions energy: -707.191 where: short stacking energy: -311.731 Base-Backbone interact. energy: 4.971 local terms energy: -357.744058 where: bonds (distance) C4'-P energy: -61.055 bonds (distance) P-C4' energy: -73.725 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -51.412 tors. eta vs tors. theta energy: -98.762 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: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1016.721532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.721532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.721532 (E_RNA) where: Base-Base interactions energy: -687.162 where: short stacking energy: -291.555 Base-Backbone interact. energy: -1.063 local terms energy: -328.496048 where: bonds (distance) C4'-P energy: -63.664 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -85.634 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: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -912.889701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.889701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.889701 (E_RNA) where: Base-Base interactions energy: -610.233 where: short stacking energy: -273.125 Base-Backbone interact. energy: -0.318 local terms energy: -302.338267 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -52.595 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -47.409 tors. eta vs tors. theta energy: -76.273 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: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -901.039745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.039745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.039745 (E_RNA) where: Base-Base interactions energy: -606.019 where: short stacking energy: -273.405 Base-Backbone interact. energy: -1.558 local terms energy: -293.462786 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -53.718 flat angles C4'-P-C4' energy: -65.549 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -72.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -792.543501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.543501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.543501 (E_RNA) where: Base-Base interactions energy: -524.560 where: short stacking energy: -233.317 Base-Backbone interact. energy: -1.185 local terms energy: -266.798961 where: bonds (distance) C4'-P energy: -60.157 bonds (distance) P-C4' energy: -49.256 flat angles C4'-P-C4' energy: -60.150 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: -62.335 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: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -653.474288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.474288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.474288 (E_RNA) where: Base-Base interactions energy: -413.671 where: short stacking energy: -184.545 Base-Backbone interact. energy: 5.064 local terms energy: -244.867478 where: bonds (distance) C4'-P energy: -51.758 bonds (distance) P-C4' energy: -60.366 flat angles C4'-P-C4' energy: -61.134 flat angles P-C4'-P energy: -34.918 tors. eta vs tors. theta energy: -36.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -603.811922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.811922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.811922 (E_RNA) where: Base-Base interactions energy: -360.583 where: short stacking energy: -172.462 Base-Backbone interact. energy: -0.893 local terms energy: -242.335380 where: bonds (distance) C4'-P energy: -58.181 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -23.362 tors. eta vs tors. theta energy: -40.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -529.164506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.164506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.164506 (E_RNA) where: Base-Base interactions energy: -311.254 where: short stacking energy: -158.336 Base-Backbone interact. energy: -0.451 local terms energy: -217.459429 where: bonds (distance) C4'-P energy: -52.612 bonds (distance) P-C4' energy: -64.987 flat angles C4'-P-C4' energy: -44.048 flat angles P-C4'-P energy: -27.095 tors. eta vs tors. theta energy: -28.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -257.123144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.123144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.123144 (E_RNA) where: Base-Base interactions energy: -105.353 where: short stacking energy: -80.702 Base-Backbone interact. energy: 0.124 local terms energy: -151.894081 where: bonds (distance) C4'-P energy: -46.412 bonds (distance) P-C4' energy: -54.152 flat angles C4'-P-C4' energy: -40.035 flat angles P-C4'-P energy: -20.045 tors. eta vs tors. theta energy: 8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1081.025693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.025693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.025693 (E_RNA) where: Base-Base interactions energy: -728.270 where: short stacking energy: -328.041 Base-Backbone interact. energy: -0.977 local terms energy: -351.778549 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -95.373 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1061.203027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.203027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.203027 (E_RNA) where: Base-Base interactions energy: -722.093 where: short stacking energy: -315.711 Base-Backbone interact. energy: -0.485 local terms energy: -338.624441 where: bonds (distance) C4'-P energy: -63.285 bonds (distance) P-C4' energy: -62.964 flat angles C4'-P-C4' energy: -76.257 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -90.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -985.087492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.087492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.087492 (E_RNA) where: Base-Base interactions energy: -660.115 where: short stacking energy: -286.810 Base-Backbone interact. energy: -2.075 local terms energy: -322.897179 where: bonds (distance) C4'-P energy: -66.478 bonds (distance) P-C4' energy: -59.735 flat angles C4'-P-C4' energy: -67.594 flat angles P-C4'-P energy: -49.686 tors. eta vs tors. theta energy: -79.404 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: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -931.676685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.676685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.676685 (E_RNA) where: Base-Base interactions energy: -602.106 where: short stacking energy: -278.485 Base-Backbone interact. energy: -0.724 local terms energy: -328.846059 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -66.687 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -87.295 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: 1 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -865.925703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.925703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.925703 (E_RNA) where: Base-Base interactions energy: -566.290 where: short stacking energy: -254.817 Base-Backbone interact. energy: -1.326 local terms energy: -298.309670 where: bonds (distance) C4'-P energy: -51.136 bonds (distance) P-C4' energy: -67.792 flat angles C4'-P-C4' energy: -66.991 flat angles P-C4'-P energy: -35.443 tors. eta vs tors. theta energy: -76.949 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: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -846.951592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.951592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.951592 (E_RNA) where: Base-Base interactions energy: -558.577 where: short stacking energy: -232.780 Base-Backbone interact. energy: -0.042 local terms energy: -288.332884 where: bonds (distance) C4'-P energy: -63.533 bonds (distance) P-C4' energy: -61.838 flat angles C4'-P-C4' energy: -54.660 flat angles P-C4'-P energy: -46.339 tors. eta vs tors. theta energy: -61.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -683.156762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.156762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.156762 (E_RNA) where: Base-Base interactions energy: -420.968 where: short stacking energy: -193.553 Base-Backbone interact. energy: -1.086 local terms energy: -261.102321 where: bonds (distance) C4'-P energy: -51.222 bonds (distance) P-C4' energy: -53.261 flat angles C4'-P-C4' energy: -68.393 flat angles P-C4'-P energy: -39.263 tors. eta vs tors. theta energy: -48.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -563.790072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.790072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.790072 (E_RNA) where: Base-Base interactions energy: -331.083 where: short stacking energy: -160.834 Base-Backbone interact. energy: -3.039 local terms energy: -229.667950 where: bonds (distance) C4'-P energy: -59.493 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -47.336 flat angles P-C4'-P energy: -36.350 tors. eta vs tors. theta energy: -30.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -451.814576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.814576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.814576 (E_RNA) where: Base-Base interactions energy: -266.434 where: short stacking energy: -136.119 Base-Backbone interact. energy: 3.111 local terms energy: -188.491991 where: bonds (distance) C4'-P energy: -52.828 bonds (distance) P-C4' energy: -44.908 flat angles C4'-P-C4' energy: -48.716 flat angles P-C4'-P energy: -33.720 tors. eta vs tors. theta energy: -8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -273.060546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.060546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.060546 (E_RNA) where: Base-Base interactions energy: -111.668 where: short stacking energy: -73.411 Base-Backbone interact. energy: -0.608 local terms energy: -160.785038 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -56.844 flat angles C4'-P-C4' energy: -52.466 flat angles P-C4'-P energy: -21.927 tors. eta vs tors. theta energy: 25.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1068.615908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.615908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.615908 (E_RNA) where: Base-Base interactions energy: -736.097 where: short stacking energy: -323.936 Base-Backbone interact. energy: -2.003 local terms energy: -330.516172 where: bonds (distance) C4'-P energy: -59.032 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -70.368 flat angles P-C4'-P energy: -44.402 tors. eta vs tors. theta energy: -99.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1017.915907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.915907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.915907 (E_RNA) where: Base-Base interactions energy: -674.579 where: short stacking energy: -301.207 Base-Backbone interact. energy: -1.979 local terms energy: -341.358250 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -60.467 flat angles C4'-P-C4' energy: -69.482 flat angles P-C4'-P energy: -59.574 tors. eta vs tors. theta energy: -88.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1048.813308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.813308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.813308 (E_RNA) where: Base-Base interactions energy: -729.042 where: short stacking energy: -305.519 Base-Backbone interact. energy: -0.821 local terms energy: -318.950344 where: bonds (distance) C4'-P energy: -66.099 bonds (distance) P-C4' energy: -53.631 flat angles C4'-P-C4' energy: -63.370 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -89.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -942.651036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.651036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.651036 (E_RNA) where: Base-Base interactions energy: -639.575 where: short stacking energy: -286.743 Base-Backbone interact. energy: -1.312 local terms energy: -301.763969 where: bonds (distance) C4'-P energy: -63.722 bonds (distance) P-C4' energy: -65.026 flat angles C4'-P-C4' energy: -61.317 flat angles P-C4'-P energy: -33.880 tors. eta vs tors. theta energy: -77.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -947.136473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.136473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.136473 (E_RNA) where: Base-Base interactions energy: -640.252 where: short stacking energy: -287.205 Base-Backbone interact. energy: -0.602 local terms energy: -306.282841 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -46.788 flat angles C4'-P-C4' energy: -63.889 flat angles P-C4'-P energy: -47.301 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: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -848.128989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.128989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.128989 (E_RNA) where: Base-Base interactions energy: -547.371 where: short stacking energy: -236.343 Base-Backbone interact. energy: -0.503 local terms energy: -300.255661 where: bonds (distance) C4'-P energy: -55.623 bonds (distance) P-C4' energy: -66.463 flat angles C4'-P-C4' energy: -71.348 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -61.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -664.288894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.288894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.288894 (E_RNA) where: Base-Base interactions energy: -428.788 where: short stacking energy: -196.112 Base-Backbone interact. energy: -2.281 local terms energy: -233.219901 where: bonds (distance) C4'-P energy: -48.240 bonds (distance) P-C4' energy: -48.143 flat angles C4'-P-C4' energy: -57.327 flat angles P-C4'-P energy: -26.601 tors. eta vs tors. theta energy: -52.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -516.118790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.118790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.118790 (E_RNA) where: Base-Base interactions energy: -297.720 where: short stacking energy: -138.443 Base-Backbone interact. energy: 1.332 local terms energy: -219.730944 where: bonds (distance) C4'-P energy: -50.941 bonds (distance) P-C4' energy: -53.410 flat angles C4'-P-C4' energy: -55.249 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -20.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -491.183677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.183677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.183677 (E_RNA) where: Base-Base interactions energy: -294.696 where: short stacking energy: -148.574 Base-Backbone interact. energy: -2.379 local terms energy: -194.108591 where: bonds (distance) C4'-P energy: -49.715 bonds (distance) P-C4' energy: -49.769 flat angles C4'-P-C4' energy: -44.609 flat angles P-C4'-P energy: -21.315 tors. eta vs tors. theta energy: -28.700 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: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -268.596513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.596513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.596513 (E_RNA) where: Base-Base interactions energy: -83.643 where: short stacking energy: -75.286 Base-Backbone interact. energy: -0.269 local terms energy: -184.684718 where: bonds (distance) C4'-P energy: -46.580 bonds (distance) P-C4' energy: -59.609 flat angles C4'-P-C4' energy: -45.819 flat angles P-C4'-P energy: -30.692 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1090.122351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.122351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.122351 (E_RNA) where: Base-Base interactions energy: -747.997 where: short stacking energy: -330.026 Base-Backbone interact. energy: 0.154 local terms energy: -342.279369 where: bonds (distance) C4'-P energy: -66.912 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -53.524 tors. eta vs tors. theta energy: -94.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1052.541641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.541641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.541641 (E_RNA) where: Base-Base interactions energy: -705.106 where: short stacking energy: -299.217 Base-Backbone interact. energy: -0.713 local terms energy: -346.721706 where: bonds (distance) C4'-P energy: -65.446 bonds (distance) P-C4' energy: -67.332 flat angles C4'-P-C4' energy: -74.151 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -95.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1008.786611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.786611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.786611 (E_RNA) where: Base-Base interactions energy: -691.537 where: short stacking energy: -281.706 Base-Backbone interact. energy: -0.531 local terms energy: -316.717757 where: bonds (distance) C4'-P energy: -59.192 bonds (distance) P-C4' energy: -57.598 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -48.330 tors. eta vs tors. theta energy: -82.452 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: 194 Temperature: 1.050000 Total energy: -937.352154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.352154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.352154 (E_RNA) where: Base-Base interactions energy: -618.813 where: short stacking energy: -284.489 Base-Backbone interact. energy: -2.475 local terms energy: -316.064335 where: bonds (distance) C4'-P energy: -38.179 bonds (distance) P-C4' energy: -66.941 flat angles C4'-P-C4' energy: -71.825 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -89.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -957.294963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.294963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.294963 (E_RNA) where: Base-Base interactions energy: -643.534 where: short stacking energy: -269.248 Base-Backbone interact. energy: -1.598 local terms energy: -312.163017 where: bonds (distance) C4'-P energy: -47.179 bonds (distance) P-C4' energy: -59.112 flat angles C4'-P-C4' energy: -68.514 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -86.037 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: 6, replica: 8 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -878.873014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.873014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.873014 (E_RNA) where: Base-Base interactions energy: -589.512 where: short stacking energy: -258.337 Base-Backbone interact. energy: 3.685 local terms energy: -293.046190 where: bonds (distance) C4'-P energy: -57.841 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -62.216 flat angles P-C4'-P energy: -38.705 tors. eta vs tors. theta energy: -70.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -690.957150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.957150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.957150 (E_RNA) where: Base-Base interactions energy: -437.754 where: short stacking energy: -210.327 Base-Backbone interact. energy: -1.575 local terms energy: -251.628005 where: bonds (distance) C4'-P energy: -42.463 bonds (distance) P-C4' energy: -57.225 flat angles C4'-P-C4' energy: -55.331 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: -49.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -565.414221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.414221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.414221 (E_RNA) where: Base-Base interactions energy: -352.352 where: short stacking energy: -176.545 Base-Backbone interact. energy: -0.851 local terms energy: -212.210711 where: bonds (distance) C4'-P energy: -36.884 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -53.860 flat angles P-C4'-P energy: -35.083 tors. eta vs tors. theta energy: -31.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -515.207866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.207866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.207866 (E_RNA) where: Base-Base interactions energy: -305.792 where: short stacking energy: -138.927 Base-Backbone interact. energy: -0.330 local terms energy: -209.085754 where: bonds (distance) C4'-P energy: -50.829 bonds (distance) P-C4' energy: -54.984 flat angles C4'-P-C4' energy: -47.654 flat angles P-C4'-P energy: -33.900 tors. eta vs tors. theta energy: -21.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -261.459775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.459775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.459775 (E_RNA) where: Base-Base interactions energy: -87.177 where: short stacking energy: -78.214 Base-Backbone interact. energy: 0.003 local terms energy: -174.285863 where: bonds (distance) C4'-P energy: -52.235 bonds (distance) P-C4' energy: -57.445 flat angles C4'-P-C4' energy: -34.853 flat angles P-C4'-P energy: -33.101 tors. eta vs tors. theta energy: 3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1094.775861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.775861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.775861 (E_RNA) where: Base-Base interactions energy: -732.674 where: short stacking energy: -314.203 Base-Backbone interact. energy: -0.969 local terms energy: -361.132969 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -67.052 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -51.510 tors. eta vs tors. theta energy: -99.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1048.505237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.505237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.505237 (E_RNA) where: Base-Base interactions energy: -706.310 where: short stacking energy: -305.749 Base-Backbone interact. energy: -2.583 local terms energy: -339.612034 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -93.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1023.652563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.652563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.652563 (E_RNA) where: Base-Base interactions energy: -704.603 where: short stacking energy: -318.566 Base-Backbone interact. energy: -0.864 local terms energy: -318.184935 where: bonds (distance) C4'-P energy: -51.718 bonds (distance) P-C4' energy: -53.851 flat angles C4'-P-C4' energy: -69.437 flat angles P-C4'-P energy: -52.761 tors. eta vs tors. theta energy: -90.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -964.124430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.124430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.124430 (E_RNA) where: Base-Base interactions energy: -671.985 where: short stacking energy: -275.067 Base-Backbone interact. energy: -1.085 local terms energy: -291.054831 where: bonds (distance) C4'-P energy: -59.990 bonds (distance) P-C4' energy: -48.406 flat angles C4'-P-C4' energy: -58.641 flat angles P-C4'-P energy: -43.880 tors. eta vs tors. theta energy: -80.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -930.151610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.151610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.151610 (E_RNA) where: Base-Base interactions energy: -635.436 where: short stacking energy: -279.682 Base-Backbone interact. energy: 1.131 local terms energy: -295.845951 where: bonds (distance) C4'-P energy: -50.170 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -63.901 flat angles P-C4'-P energy: -41.927 tors. eta vs tors. theta energy: -81.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -831.733218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.733218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.733218 (E_RNA) where: Base-Base interactions energy: -542.824 where: short stacking energy: -219.662 Base-Backbone interact. energy: -1.312 local terms energy: -287.596789 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -60.475 flat angles C4'-P-C4' energy: -62.576 flat angles P-C4'-P energy: -36.151 tors. eta vs tors. theta energy: -61.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -688.831405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.831405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.831405 (E_RNA) where: Base-Base interactions energy: -430.289 where: short stacking energy: -205.919 Base-Backbone interact. energy: -1.804 local terms energy: -256.737657 where: bonds (distance) C4'-P energy: -49.791 bonds (distance) P-C4' energy: -59.678 flat angles C4'-P-C4' energy: -61.822 flat angles P-C4'-P energy: -33.845 tors. eta vs tors. theta energy: -51.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -519.624739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.624739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.624739 (E_RNA) where: Base-Base interactions energy: -298.928 where: short stacking energy: -139.120 Base-Backbone interact. energy: -1.505 local terms energy: -219.192212 where: bonds (distance) C4'-P energy: -55.450 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -47.705 flat angles P-C4'-P energy: -27.050 tors. eta vs tors. theta energy: -24.585 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: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -532.542024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.542024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.542024 (E_RNA) where: Base-Base interactions energy: -323.841 where: short stacking energy: -146.524 Base-Backbone interact. energy: -2.198 local terms energy: -206.502907 where: bonds (distance) C4'-P energy: -43.226 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -48.822 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: -23.377 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: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -311.260655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.260655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.260655 (E_RNA) where: Base-Base interactions energy: -137.240 where: short stacking energy: -90.085 Base-Backbone interact. energy: -0.863 local terms energy: -173.158118 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -40.005 flat angles C4'-P-C4' energy: -43.625 flat angles P-C4'-P energy: -29.348 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: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1077.304936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.304936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.304936 (E_RNA) where: Base-Base interactions energy: -737.224 where: short stacking energy: -323.068 Base-Backbone interact. energy: -0.032 local terms energy: -340.048610 where: bonds (distance) C4'-P energy: -62.754 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -67.435 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: -89.603 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: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1041.165904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.165904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.165904 (E_RNA) where: Base-Base interactions energy: -700.974 where: short stacking energy: -288.820 Base-Backbone interact. energy: -2.960 local terms energy: -337.231719 where: bonds (distance) C4'-P energy: -63.933 bonds (distance) P-C4' energy: -72.304 flat angles C4'-P-C4' energy: -71.445 flat angles P-C4'-P energy: -44.766 tors. eta vs tors. theta energy: -84.784 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1044.381040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.381040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.381040 (E_RNA) where: Base-Base interactions energy: -715.303 where: short stacking energy: -326.397 Base-Backbone interact. energy: -0.443 local terms energy: -328.634799 where: bonds (distance) C4'-P energy: -65.169 bonds (distance) P-C4' energy: -59.988 flat angles C4'-P-C4' energy: -65.814 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -93.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -920.596011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.596011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.596011 (E_RNA) where: Base-Base interactions energy: -617.673 where: short stacking energy: -273.383 Base-Backbone interact. energy: -1.576 local terms energy: -301.347423 where: bonds (distance) C4'-P energy: -56.542 bonds (distance) P-C4' energy: -66.149 flat angles C4'-P-C4' energy: -62.335 flat angles P-C4'-P energy: -34.156 tors. eta vs tors. theta energy: -82.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -891.876421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.876421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.876421 (E_RNA) where: Base-Base interactions energy: -603.065 where: short stacking energy: -232.225 Base-Backbone interact. energy: 3.352 local terms energy: -292.162814 where: bonds (distance) C4'-P energy: -59.122 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -61.355 flat angles P-C4'-P energy: -46.891 tors. eta vs tors. theta energy: -64.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -863.862876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.862876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.862876 (E_RNA) where: Base-Base interactions energy: -580.646 where: short stacking energy: -243.797 Base-Backbone interact. energy: 1.029 local terms energy: -284.245018 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -60.589 flat angles C4'-P-C4' energy: -61.766 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -58.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -710.119846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.119846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.119846 (E_RNA) where: Base-Base interactions energy: -431.765 where: short stacking energy: -210.373 Base-Backbone interact. energy: -0.421 local terms energy: -277.933394 where: bonds (distance) C4'-P energy: -58.753 bonds (distance) P-C4' energy: -58.368 flat angles C4'-P-C4' energy: -62.376 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -50.424 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: 9 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -499.451197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.451197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.451197 (E_RNA) where: Base-Base interactions energy: -281.423 where: short stacking energy: -116.767 Base-Backbone interact. energy: 0.654 local terms energy: -218.682330 where: bonds (distance) C4'-P energy: -53.727 bonds (distance) P-C4' energy: -56.538 flat angles C4'-P-C4' energy: -49.337 flat angles P-C4'-P energy: -38.433 tors. eta vs tors. theta energy: -20.648 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: 196 Temperature: 1.300000 Total energy: -514.224896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.224896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.224896 (E_RNA) where: Base-Base interactions energy: -310.649 where: short stacking energy: -161.574 Base-Backbone interact. energy: -1.793 local terms energy: -201.782642 where: bonds (distance) C4'-P energy: -47.738 bonds (distance) P-C4' energy: -47.144 flat angles C4'-P-C4' energy: -56.699 flat angles P-C4'-P energy: -33.136 tors. eta vs tors. theta energy: -17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -295.910001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.910001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.910001 (E_RNA) where: Base-Base interactions energy: -117.516 where: short stacking energy: -79.150 Base-Backbone interact. energy: 1.622 local terms energy: -180.015600 where: bonds (distance) C4'-P energy: -58.965 bonds (distance) P-C4' energy: -42.726 flat angles C4'-P-C4' energy: -48.713 flat angles P-C4'-P energy: -28.355 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1110.170158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.170158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.170158 (E_RNA) where: Base-Base interactions energy: -746.031 where: short stacking energy: -341.674 Base-Backbone interact. energy: 0.700 local terms energy: -364.838685 where: bonds (distance) C4'-P energy: -69.169 bonds (distance) P-C4' energy: -68.818 flat angles C4'-P-C4' energy: -70.875 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -99.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1057.823576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.823576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.823576 (E_RNA) where: Base-Base interactions energy: -727.663 where: short stacking energy: -323.359 Base-Backbone interact. energy: -1.131 local terms energy: -329.029401 where: bonds (distance) C4'-P energy: -56.054 bonds (distance) P-C4' energy: -60.411 flat angles C4'-P-C4' energy: -72.945 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -92.724 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: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1021.658286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.658286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.658286 (E_RNA) where: Base-Base interactions energy: -680.781 where: short stacking energy: -300.135 Base-Backbone interact. energy: -1.053 local terms energy: -339.824256 where: bonds (distance) C4'-P energy: -68.624 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -64.860 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: -95.213 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: 197 Temperature: 1.050000 Total energy: -935.906772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.906772 (E_RNA) where: Base-Base interactions energy: -624.509 where: short stacking energy: -257.546 Base-Backbone interact. energy: -2.345 local terms energy: -309.052398 where: bonds (distance) C4'-P energy: -65.247 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -46.002 tors. eta vs tors. theta energy: -72.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -868.467773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.467773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.467773 (E_RNA) where: Base-Base interactions energy: -570.886 where: short stacking energy: -269.816 Base-Backbone interact. energy: -2.409 local terms energy: -295.172407 where: bonds (distance) C4'-P energy: -54.753 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -74.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -897.231972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.231972 (E_RNA) where: Base-Base interactions energy: -581.552 where: short stacking energy: -258.438 Base-Backbone interact. energy: 4.872 local terms energy: -320.551686 where: bonds (distance) C4'-P energy: -69.025 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -70.799 flat angles P-C4'-P energy: -41.890 tors. eta vs tors. theta energy: -73.606 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: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -739.660636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.660636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.660636 (E_RNA) where: Base-Base interactions energy: -448.161 where: short stacking energy: -205.375 Base-Backbone interact. energy: -2.578 local terms energy: -288.921268 where: bonds (distance) C4'-P energy: -60.084 bonds (distance) P-C4' energy: -67.650 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: -52.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -512.241157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.241157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.241157 (E_RNA) where: Base-Base interactions energy: -292.124 where: short stacking energy: -141.820 Base-Backbone interact. energy: -0.860 local terms energy: -219.256524 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -54.801 flat angles C4'-P-C4' energy: -48.029 flat angles P-C4'-P energy: -35.360 tors. eta vs tors. theta energy: -22.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -565.146615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.146615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.146615 (E_RNA) where: Base-Base interactions energy: -356.958 where: short stacking energy: -152.063 Base-Backbone interact. energy: 2.774 local terms energy: -210.962443 where: bonds (distance) C4'-P energy: -40.937 bonds (distance) P-C4' energy: -64.211 flat angles C4'-P-C4' energy: -53.377 flat angles P-C4'-P energy: -28.234 tors. eta vs tors. theta energy: -24.204 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: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -264.238768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.238768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.238768 (E_RNA) where: Base-Base interactions energy: -100.217 where: short stacking energy: -76.214 Base-Backbone interact. energy: 0.493 local terms energy: -164.514966 where: bonds (distance) C4'-P energy: -46.600 bonds (distance) P-C4' energy: -39.352 flat angles C4'-P-C4' energy: -52.801 flat angles P-C4'-P energy: -32.760 tors. eta vs tors. theta energy: 6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1097.662095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.662095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.662095 (E_RNA) where: Base-Base interactions energy: -751.509 where: short stacking energy: -336.634 Base-Backbone interact. energy: -1.084 local terms energy: -345.069262 where: bonds (distance) C4'-P energy: -64.771 bonds (distance) P-C4' energy: -64.927 flat angles C4'-P-C4' energy: -72.592 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -95.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1068.264727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.264727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.264727 (E_RNA) where: Base-Base interactions energy: -730.222 where: short stacking energy: -327.337 Base-Backbone interact. energy: -1.388 local terms energy: -336.654619 where: bonds (distance) C4'-P energy: -60.904 bonds (distance) P-C4' energy: -68.090 flat angles C4'-P-C4' energy: -72.306 flat angles P-C4'-P energy: -46.221 tors. eta vs tors. theta energy: -89.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1020.500579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.500579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.500579 (E_RNA) where: Base-Base interactions energy: -677.463 where: short stacking energy: -281.756 Base-Backbone interact. energy: -2.108 local terms energy: -340.929751 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -71.228 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -86.185 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: 198 Temperature: 1.050000 Total energy: -964.912938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.912938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.912938 (E_RNA) where: Base-Base interactions energy: -661.074 where: short stacking energy: -290.663 Base-Backbone interact. energy: -0.958 local terms energy: -302.881259 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -79.946 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: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -897.808835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.808835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.808835 (E_RNA) where: Base-Base interactions energy: -593.893 where: short stacking energy: -261.381 Base-Backbone interact. energy: -0.809 local terms energy: -303.106864 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -62.441 flat angles P-C4'-P energy: -40.386 tors. eta vs tors. theta energy: -77.505 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: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -897.093064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.093064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.093064 (E_RNA) where: Base-Base interactions energy: -599.721 where: short stacking energy: -269.533 Base-Backbone interact. energy: -3.125 local terms energy: -294.246806 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -65.586 flat angles P-C4'-P energy: -27.234 tors. eta vs tors. theta energy: -74.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -734.741577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.741577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.741577 (E_RNA) where: Base-Base interactions energy: -451.215 where: short stacking energy: -232.016 Base-Backbone interact. energy: -1.436 local terms energy: -282.090511 where: bonds (distance) C4'-P energy: -53.645 bonds (distance) P-C4' energy: -58.833 flat angles C4'-P-C4' energy: -60.723 flat angles P-C4'-P energy: -40.418 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: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -493.836582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.836582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.836582 (E_RNA) where: Base-Base interactions energy: -265.876 where: short stacking energy: -153.865 Base-Backbone interact. energy: -1.457 local terms energy: -226.503866 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -65.359 flat angles C4'-P-C4' energy: -59.994 flat angles P-C4'-P energy: -26.919 tors. eta vs tors. theta energy: -25.693 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: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -593.833150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.833150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.833150 (E_RNA) where: Base-Base interactions energy: -383.624 where: short stacking energy: -172.324 Base-Backbone interact. energy: -1.294 local terms energy: -208.914518 where: bonds (distance) C4'-P energy: -47.455 bonds (distance) P-C4' energy: -46.141 flat angles C4'-P-C4' energy: -50.653 flat angles P-C4'-P energy: -33.776 tors. eta vs tors. theta energy: -30.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -269.746896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.746896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.746896 (E_RNA) where: Base-Base interactions energy: -81.609 where: short stacking energy: -68.660 Base-Backbone interact. energy: -3.381 local terms energy: -184.756771 where: bonds (distance) C4'-P energy: -61.958 bonds (distance) P-C4' energy: -63.188 flat angles C4'-P-C4' energy: -52.261 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: 3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1127.906007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.906007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.906007 (E_RNA) where: Base-Base interactions energy: -766.795 where: short stacking energy: -323.592 Base-Backbone interact. energy: -1.253 local terms energy: -359.857339 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -62.336 flat angles C4'-P-C4' energy: -80.621 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -97.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1052.036990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.036990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.036990 (E_RNA) where: Base-Base interactions energy: -728.809 where: short stacking energy: -305.138 Base-Backbone interact. energy: 0.915 local terms energy: -324.143115 where: bonds (distance) C4'-P energy: -67.516 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -60.250 flat angles P-C4'-P energy: -49.210 tors. eta vs tors. theta energy: -85.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -985.482936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.482936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.482936 (E_RNA) where: Base-Base interactions energy: -667.826 where: short stacking energy: -288.741 Base-Backbone interact. energy: -2.600 local terms energy: -315.056582 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -66.371 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -39.260 tors. eta vs tors. theta energy: -78.858 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: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -958.951704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.951704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.951704 (E_RNA) where: Base-Base interactions energy: -644.747 where: short stacking energy: -272.240 Base-Backbone interact. energy: -0.004 local terms energy: -314.201349 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -67.058 flat angles C4'-P-C4' energy: -67.000 flat angles P-C4'-P energy: -42.321 tors. eta vs tors. theta energy: -73.852 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: 199 Temperature: 1.100000 Total energy: -845.305993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.305993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.305993 (E_RNA) where: Base-Base interactions energy: -572.121 where: short stacking energy: -260.877 Base-Backbone interact. energy: -1.227 local terms energy: -271.957368 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -48.528 flat angles C4'-P-C4' energy: -66.181 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: -65.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -824.005812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.005812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.005812 (E_RNA) where: Base-Base interactions energy: -569.070 where: short stacking energy: -233.701 Base-Backbone interact. energy: 1.872 local terms energy: -256.808521 where: bonds (distance) C4'-P energy: -54.146 bonds (distance) P-C4' energy: -58.242 flat angles C4'-P-C4' energy: -61.937 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -51.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -730.492998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.492998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.492998 (E_RNA) where: Base-Base interactions energy: -451.781 where: short stacking energy: -223.317 Base-Backbone interact. energy: 0.828 local terms energy: -279.540080 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -55.719 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: -60.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -625.805118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.805118 (E_RNA) where: Base-Base interactions energy: -396.365 where: short stacking energy: -164.269 Base-Backbone interact. energy: -1.071 local terms energy: -228.369451 where: bonds (distance) C4'-P energy: -60.544 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -50.447 flat angles P-C4'-P energy: -33.160 tors. eta vs tors. theta energy: -18.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -411.595390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.595390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.595390 (E_RNA) where: Base-Base interactions energy: -211.974 where: short stacking energy: -117.487 Base-Backbone interact. energy: -1.052 local terms energy: -198.569524 where: bonds (distance) C4'-P energy: -56.938 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -46.676 flat angles P-C4'-P energy: -32.034 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -275.258816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.258816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.258816 (E_RNA) where: Base-Base interactions energy: -94.675 where: short stacking energy: -89.571 Base-Backbone interact. energy: -1.241 local terms energy: -179.342937 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -53.496 flat angles C4'-P-C4' energy: -43.102 flat angles P-C4'-P energy: -28.851 tors. eta vs tors. theta energy: 0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1090.627410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.627410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.627410 (E_RNA) where: Base-Base interactions energy: -748.910 where: short stacking energy: -322.695 Base-Backbone interact. energy: -1.744 local terms energy: -339.973504 where: bonds (distance) C4'-P energy: -63.254 bonds (distance) P-C4' energy: -64.813 flat angles C4'-P-C4' energy: -72.686 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -90.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1072.353112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.353112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.353112 (E_RNA) where: Base-Base interactions energy: -752.832 where: short stacking energy: -322.415 Base-Backbone interact. energy: -1.173 local terms energy: -318.348100 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -88.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1029.845054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.845054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.845054 (E_RNA) where: Base-Base interactions energy: -692.210 where: short stacking energy: -314.048 Base-Backbone interact. energy: -0.440 local terms energy: -337.195191 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -72.356 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -51.881 tors. eta vs tors. theta energy: -83.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -962.522169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.522169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.522169 (E_RNA) where: Base-Base interactions energy: -650.328 where: short stacking energy: -271.384 Base-Backbone interact. energy: -1.214 local terms energy: -310.980056 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -55.066 flat angles C4'-P-C4' energy: -68.429 flat angles P-C4'-P energy: -43.882 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: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -864.172949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.172949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.172949 (E_RNA) where: Base-Base interactions energy: -559.504 where: short stacking energy: -262.436 Base-Backbone interact. energy: -2.128 local terms energy: -302.540189 where: bonds (distance) C4'-P energy: -60.697 bonds (distance) P-C4' energy: -62.087 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -75.697 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: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -827.847832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.847832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.847832 (E_RNA) where: Base-Base interactions energy: -552.340 where: short stacking energy: -239.676 Base-Backbone interact. energy: -1.224 local terms energy: -274.283037 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -37.667 flat angles C4'-P-C4' energy: -65.437 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -62.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -689.005942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.005942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.005942 (E_RNA) where: Base-Base interactions energy: -430.604 where: short stacking energy: -206.294 Base-Backbone interact. energy: -1.746 local terms energy: -256.656085 where: bonds (distance) C4'-P energy: -58.016 bonds (distance) P-C4' energy: -53.810 flat angles C4'-P-C4' energy: -51.700 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -48.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -621.448127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.448127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.448127 (E_RNA) where: Base-Base interactions energy: -405.510 where: short stacking energy: -149.734 Base-Backbone interact. energy: -0.889 local terms energy: -215.049929 where: bonds (distance) C4'-P energy: -38.273 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -59.629 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -23.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -410.689040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.689040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.689040 (E_RNA) where: Base-Base interactions energy: -223.449 where: short stacking energy: -126.362 Base-Backbone interact. energy: -1.273 local terms energy: -185.966412 where: bonds (distance) C4'-P energy: -65.206 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -47.464 flat angles P-C4'-P energy: -13.552 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -306.247487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.247487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.247487 (E_RNA) where: Base-Base interactions energy: -119.995 where: short stacking energy: -92.791 Base-Backbone interact. energy: -0.866 local terms energy: -185.385886 where: bonds (distance) C4'-P energy: -56.338 bonds (distance) P-C4' energy: -54.528 flat angles C4'-P-C4' energy: -43.649 flat angles P-C4'-P energy: -39.119 tors. eta vs tors. theta energy: 8.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1082.297653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.297653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.297653 (E_RNA) where: Base-Base interactions energy: -736.466 where: short stacking energy: -321.900 Base-Backbone interact. energy: -0.324 local terms energy: -345.508140 where: bonds (distance) C4'-P energy: -66.530 bonds (distance) P-C4' energy: -57.910 flat angles C4'-P-C4' energy: -75.558 flat angles P-C4'-P energy: -52.061 tors. eta vs tors. theta energy: -93.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1062.895159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.895159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.895159 (E_RNA) where: Base-Base interactions energy: -747.502 where: short stacking energy: -320.204 Base-Backbone interact. energy: -1.015 local terms energy: -314.378401 where: bonds (distance) C4'-P energy: -55.875 bonds (distance) P-C4' energy: -56.448 flat angles C4'-P-C4' energy: -67.817 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -95.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1053.532366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.532366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.532366 (E_RNA) where: Base-Base interactions energy: -720.175 where: short stacking energy: -309.087 Base-Backbone interact. energy: -0.052 local terms energy: -333.304955 where: bonds (distance) C4'-P energy: -58.204 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -47.751 tors. eta vs tors. theta energy: -85.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -962.959077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.959077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.959077 (E_RNA) where: Base-Base interactions energy: -644.209 where: short stacking energy: -259.045 Base-Backbone interact. energy: -1.081 local terms energy: -317.669644 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -79.095 flat angles C4'-P-C4' energy: -68.173 flat angles P-C4'-P energy: -37.352 tors. eta vs tors. theta energy: -70.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -867.805429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.805429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.805429 (E_RNA) where: Base-Base interactions energy: -583.771 where: short stacking energy: -260.067 Base-Backbone interact. energy: -1.105 local terms energy: -282.928661 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -72.776 flat angles P-C4'-P energy: -35.605 tors. eta vs tors. theta energy: -64.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -833.550612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.550612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.550612 (E_RNA) where: Base-Base interactions energy: -526.250 where: short stacking energy: -258.575 Base-Backbone interact. energy: -0.750 local terms energy: -306.550967 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -63.886 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -40.277 tors. eta vs tors. theta energy: -71.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -696.360712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.360712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.360712 (E_RNA) where: Base-Base interactions energy: -432.280 where: short stacking energy: -213.798 Base-Backbone interact. energy: -2.040 local terms energy: -262.040302 where: bonds (distance) C4'-P energy: -62.298 bonds (distance) P-C4' energy: -56.311 flat angles C4'-P-C4' energy: -58.045 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: -53.459 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: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -626.680061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.680061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.680061 (E_RNA) where: Base-Base interactions energy: -415.727 where: short stacking energy: -184.252 Base-Backbone interact. energy: 4.777 local terms energy: -215.729561 where: bonds (distance) C4'-P energy: -48.480 bonds (distance) P-C4' energy: -43.349 flat angles C4'-P-C4' energy: -54.646 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -29.536 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: 201 Temperature: 1.300000 Total energy: -424.747614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.747614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.747614 (E_RNA) where: Base-Base interactions energy: -217.979 where: short stacking energy: -123.079 Base-Backbone interact. energy: -0.315 local terms energy: -206.454331 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -55.855 flat angles C4'-P-C4' energy: -44.954 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -259.623429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.623429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.623429 (E_RNA) where: Base-Base interactions energy: -88.919 where: short stacking energy: -77.298 Base-Backbone interact. energy: 0.444 local terms energy: -171.148329 where: bonds (distance) C4'-P energy: -47.025 bonds (distance) P-C4' energy: -56.619 flat angles C4'-P-C4' energy: -55.088 flat angles P-C4'-P energy: -19.458 tors. eta vs tors. theta energy: 7.042 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: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1095.686147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.686147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.686147 (E_RNA) where: Base-Base interactions energy: -742.740 where: short stacking energy: -327.063 Base-Backbone interact. energy: -0.051 local terms energy: -352.895566 where: bonds (distance) C4'-P energy: -63.231 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -95.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1055.490918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.490918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.490918 (E_RNA) where: Base-Base interactions energy: -708.418 where: short stacking energy: -305.400 Base-Backbone interact. energy: -1.378 local terms energy: -345.695120 where: bonds (distance) C4'-P energy: -62.539 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -73.766 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -94.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1040.461061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.461061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.461061 (E_RNA) where: Base-Base interactions energy: -720.177 where: short stacking energy: -329.364 Base-Backbone interact. energy: -0.690 local terms energy: -319.594147 where: bonds (distance) C4'-P energy: -54.311 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -75.594 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -92.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -946.342201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.342201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.342201 (E_RNA) where: Base-Base interactions energy: -654.013 where: short stacking energy: -261.392 Base-Backbone interact. energy: -0.878 local terms energy: -291.451000 where: bonds (distance) C4'-P energy: -52.641 bonds (distance) P-C4' energy: -65.701 flat angles C4'-P-C4' energy: -67.659 flat angles P-C4'-P energy: -41.013 tors. eta vs tors. theta energy: -64.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -853.806416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.806416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.806416 (E_RNA) where: Base-Base interactions energy: -562.471 where: short stacking energy: -245.273 Base-Backbone interact. energy: -2.110 local terms energy: -289.225505 where: bonds (distance) C4'-P energy: -58.280 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -37.618 tors. eta vs tors. theta energy: -69.093 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: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -789.634891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.634891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.634891 (E_RNA) where: Base-Base interactions energy: -493.118 where: short stacking energy: -237.646 Base-Backbone interact. energy: -2.155 local terms energy: -294.362416 where: bonds (distance) C4'-P energy: -48.598 bonds (distance) P-C4' energy: -60.769 flat angles C4'-P-C4' energy: -69.786 flat angles P-C4'-P energy: -45.837 tors. eta vs tors. theta energy: -69.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -632.363101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.363101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.363101 (E_RNA) where: Base-Base interactions energy: -394.288 where: short stacking energy: -175.929 Base-Backbone interact. energy: -1.576 local terms energy: -236.499323 where: bonds (distance) C4'-P energy: -59.337 bonds (distance) P-C4' energy: -53.776 flat angles C4'-P-C4' energy: -46.771 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -28.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -672.637229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.637229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.637229 (E_RNA) where: Base-Base interactions energy: -429.239 where: short stacking energy: -197.807 Base-Backbone interact. energy: 0.098 local terms energy: -243.496568 where: bonds (distance) C4'-P energy: -51.829 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -53.140 flat angles P-C4'-P energy: -35.913 tors. eta vs tors. theta energy: -37.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -301.534472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.534472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.534472 (E_RNA) where: Base-Base interactions energy: -115.204 where: short stacking energy: -94.879 Base-Backbone interact. energy: -0.662 local terms energy: -185.667867 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -36.971 flat angles P-C4'-P energy: -28.089 tors. eta vs tors. theta energy: 2.252 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: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -405.319875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.319875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.319875 (E_RNA) where: Base-Base interactions energy: -224.284 where: short stacking energy: -120.511 Base-Backbone interact. energy: -0.635 local terms energy: -180.401104 where: bonds (distance) C4'-P energy: -37.651 bonds (distance) P-C4' energy: -52.102 flat angles C4'-P-C4' energy: -56.164 flat angles P-C4'-P energy: -31.029 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1095.295323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.295323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.295323 (E_RNA) where: Base-Base interactions energy: -748.188 where: short stacking energy: -338.645 Base-Backbone interact. energy: 2.427 local terms energy: -349.534683 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -61.435 flat angles C4'-P-C4' energy: -79.804 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -103.201 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: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1060.558807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.558807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.558807 (E_RNA) where: Base-Base interactions energy: -720.385 where: short stacking energy: -313.835 Base-Backbone interact. energy: -0.092 local terms energy: -340.081770 where: bonds (distance) C4'-P energy: -63.808 bonds (distance) P-C4' energy: -69.353 flat angles C4'-P-C4' energy: -73.636 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -87.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1034.056390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.056390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.056390 (E_RNA) where: Base-Base interactions energy: -681.693 where: short stacking energy: -329.777 Base-Backbone interact. energy: -0.440 local terms energy: -351.922788 where: bonds (distance) C4'-P energy: -64.094 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -73.448 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -106.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -982.834085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.834085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.834085 (E_RNA) where: Base-Base interactions energy: -686.206 where: short stacking energy: -262.982 Base-Backbone interact. energy: -1.050 local terms energy: -295.578152 where: bonds (distance) C4'-P energy: -49.775 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -62.748 flat angles P-C4'-P energy: -42.159 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: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -899.553083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.553083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.553083 (E_RNA) where: Base-Base interactions energy: -617.994 where: short stacking energy: -244.544 Base-Backbone interact. energy: -0.594 local terms energy: -280.964736 where: bonds (distance) C4'-P energy: -55.300 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -64.334 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -61.604 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: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -864.105001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.105001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.105001 (E_RNA) where: Base-Base interactions energy: -553.986 where: short stacking energy: -251.290 Base-Backbone interact. energy: 0.169 local terms energy: -310.288627 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -65.210 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -76.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -661.587897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.587897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.587897 (E_RNA) where: Base-Base interactions energy: -409.175 where: short stacking energy: -182.229 Base-Backbone interact. energy: -2.068 local terms energy: -250.344293 where: bonds (distance) C4'-P energy: -53.129 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -31.654 tors. eta vs tors. theta energy: -30.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -722.212214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.212214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.212214 (E_RNA) where: Base-Base interactions energy: -434.020 where: short stacking energy: -209.373 Base-Backbone interact. energy: -0.785 local terms energy: -287.407034 where: bonds (distance) C4'-P energy: -54.652 bonds (distance) P-C4' energy: -72.596 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -59.331 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: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -277.658446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.658446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.658446 (E_RNA) where: Base-Base interactions energy: -87.217 where: short stacking energy: -68.894 Base-Backbone interact. energy: 0.733 local terms energy: -191.174467 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -50.446 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: 26.738 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: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -387.379883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.379883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.379883 (E_RNA) where: Base-Base interactions energy: -197.785 where: short stacking energy: -108.590 Base-Backbone interact. energy: -2.107 local terms energy: -187.487596 where: bonds (distance) C4'-P energy: -40.983 bonds (distance) P-C4' energy: -55.284 flat angles C4'-P-C4' energy: -52.917 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1075.855578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.855578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.855578 (E_RNA) where: Base-Base interactions energy: -727.812 where: short stacking energy: -307.541 Base-Backbone interact. energy: -1.898 local terms energy: -346.145452 where: bonds (distance) C4'-P energy: -61.923 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -75.667 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -88.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1059.428044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.428044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.428044 (E_RNA) where: Base-Base interactions energy: -711.440 where: short stacking energy: -313.159 Base-Backbone interact. energy: -2.217 local terms energy: -345.771427 where: bonds (distance) C4'-P energy: -61.302 bonds (distance) P-C4' energy: -69.706 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -94.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1000.515021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.515021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.515021 (E_RNA) where: Base-Base interactions energy: -675.919 where: short stacking energy: -304.891 Base-Backbone interact. energy: -1.191 local terms energy: -323.404939 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -72.745 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: -88.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -976.846668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.846668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.846668 (E_RNA) where: Base-Base interactions energy: -687.405 where: short stacking energy: -267.559 Base-Backbone interact. energy: -0.969 local terms energy: -288.471918 where: bonds (distance) C4'-P energy: -46.211 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -77.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -906.895190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.895190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.895190 (E_RNA) where: Base-Base interactions energy: -610.215 where: short stacking energy: -249.573 Base-Backbone interact. energy: 2.671 local terms energy: -299.351060 where: bonds (distance) C4'-P energy: -63.169 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -65.586 flat angles P-C4'-P energy: -42.627 tors. eta vs tors. theta energy: -67.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -854.098318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.098318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.098318 (E_RNA) where: Base-Base interactions energy: -556.814 where: short stacking energy: -239.566 Base-Backbone interact. energy: -0.989 local terms energy: -296.295452 where: bonds (distance) C4'-P energy: -53.580 bonds (distance) P-C4' energy: -59.366 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -45.904 tors. eta vs tors. theta energy: -72.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -745.115613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.115613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.115613 (E_RNA) where: Base-Base interactions energy: -474.538 where: short stacking energy: -226.736 Base-Backbone interact. energy: -1.028 local terms energy: -269.549659 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -51.390 flat angles C4'-P-C4' energy: -65.025 flat angles P-C4'-P energy: -27.497 tors. eta vs tors. theta energy: -61.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -597.581803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.581803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.581803 (E_RNA) where: Base-Base interactions energy: -373.218 where: short stacking energy: -160.064 Base-Backbone interact. energy: -1.473 local terms energy: -222.890750 where: bonds (distance) C4'-P energy: -60.834 bonds (distance) P-C4' energy: -62.025 flat angles C4'-P-C4' energy: -55.114 flat angles P-C4'-P energy: -26.436 tors. eta vs tors. theta energy: -18.481 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: 204 Temperature: 1.300000 Total energy: -413.657685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.657685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.657685 (E_RNA) where: Base-Base interactions energy: -213.497 where: short stacking energy: -147.854 Base-Backbone interact. energy: 0.796 local terms energy: -200.956615 where: bonds (distance) C4'-P energy: -48.207 bonds (distance) P-C4' energy: -50.801 flat angles C4'-P-C4' energy: -51.909 flat angles P-C4'-P energy: -34.508 tors. eta vs tors. theta energy: -15.531 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: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -299.181652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.181652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.181652 (E_RNA) where: Base-Base interactions energy: -107.864 where: short stacking energy: -84.680 Base-Backbone interact. energy: 2.806 local terms energy: -194.123241 where: bonds (distance) C4'-P energy: -62.129 bonds (distance) P-C4' energy: -63.995 flat angles C4'-P-C4' energy: -50.154 flat angles P-C4'-P energy: -29.345 tors. eta vs tors. theta energy: 11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1069.225319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.225319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.225319 (E_RNA) where: Base-Base interactions energy: -733.644 where: short stacking energy: -323.928 Base-Backbone interact. energy: -1.279 local terms energy: -334.302586 where: bonds (distance) C4'-P energy: -68.317 bonds (distance) P-C4' energy: -64.291 flat angles C4'-P-C4' energy: -68.825 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -88.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1043.746764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.746764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.746764 (E_RNA) where: Base-Base interactions energy: -716.060 where: short stacking energy: -306.919 Base-Backbone interact. energy: -2.419 local terms energy: -325.267790 where: bonds (distance) C4'-P energy: -56.834 bonds (distance) P-C4' energy: -63.512 flat angles C4'-P-C4' energy: -67.134 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -92.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1001.167779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.167779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.167779 (E_RNA) where: Base-Base interactions energy: -678.047 where: short stacking energy: -294.980 Base-Backbone interact. energy: -0.103 local terms energy: -323.017528 where: bonds (distance) C4'-P energy: -57.784 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -73.849 flat angles P-C4'-P energy: -47.162 tors. eta vs tors. theta energy: -80.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -952.394260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.394260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.394260 (E_RNA) where: Base-Base interactions energy: -649.969 where: short stacking energy: -258.794 Base-Backbone interact. energy: -1.349 local terms energy: -301.076398 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -54.552 flat angles C4'-P-C4' energy: -62.712 flat angles P-C4'-P energy: -41.688 tors. eta vs tors. theta energy: -77.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -872.245100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.245100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.245100 (E_RNA) where: Base-Base interactions energy: -577.486 where: short stacking energy: -245.575 Base-Backbone interact. energy: -2.073 local terms energy: -292.686121 where: bonds (distance) C4'-P energy: -50.300 bonds (distance) P-C4' energy: -63.769 flat angles C4'-P-C4' energy: -64.547 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -66.604 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: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -767.926451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.926451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.926451 (E_RNA) where: Base-Base interactions energy: -496.383 where: short stacking energy: -222.675 Base-Backbone interact. energy: -1.772 local terms energy: -269.771930 where: bonds (distance) C4'-P energy: -43.116 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -69.117 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: -57.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -725.530747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.530747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.530747 (E_RNA) where: Base-Base interactions energy: -488.330 where: short stacking energy: -232.734 Base-Backbone interact. energy: -1.905 local terms energy: -235.294982 where: bonds (distance) C4'-P energy: -39.010 bonds (distance) P-C4' energy: -58.608 flat angles C4'-P-C4' energy: -50.439 flat angles P-C4'-P energy: -32.569 tors. eta vs tors. theta energy: -54.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -657.748989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.748989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.748989 (E_RNA) where: Base-Base interactions energy: -415.722 where: short stacking energy: -185.897 Base-Backbone interact. energy: -2.449 local terms energy: -239.578287 where: bonds (distance) C4'-P energy: -58.570 bonds (distance) P-C4' energy: -48.911 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -41.456 tors. eta vs tors. theta energy: -33.711 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: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -493.994087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.994087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.994087 (E_RNA) where: Base-Base interactions energy: -283.554 where: short stacking energy: -176.332 Base-Backbone interact. energy: -0.858 local terms energy: -209.581593 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -47.492 flat angles C4'-P-C4' energy: -52.294 flat angles P-C4'-P energy: -27.749 tors. eta vs tors. theta energy: -28.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -268.374803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.374803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.374803 (E_RNA) where: Base-Base interactions energy: -100.431 where: short stacking energy: -71.409 Base-Backbone interact. energy: -1.857 local terms energy: -166.086853 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -50.799 flat angles C4'-P-C4' energy: -41.274 flat angles P-C4'-P energy: -25.260 tors. eta vs tors. theta energy: 8.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1072.173372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.173372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.173372 (E_RNA) where: Base-Base interactions energy: -730.916 where: short stacking energy: -325.512 Base-Backbone interact. energy: -0.755 local terms energy: -340.501612 where: bonds (distance) C4'-P energy: -70.215 bonds (distance) P-C4' energy: -61.849 flat angles C4'-P-C4' energy: -72.621 flat angles P-C4'-P energy: -50.385 tors. eta vs tors. theta energy: -85.431 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: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1068.794051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.794051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.794051 (E_RNA) where: Base-Base interactions energy: -705.628 where: short stacking energy: -304.851 Base-Backbone interact. energy: -1.701 local terms energy: -361.465204 where: bonds (distance) C4'-P energy: -63.181 bonds (distance) P-C4' energy: -69.948 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -57.068 tors. eta vs tors. theta energy: -91.084 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: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1006.100878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.100878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.100878 (E_RNA) where: Base-Base interactions energy: -672.624 where: short stacking energy: -298.807 Base-Backbone interact. energy: -0.437 local terms energy: -333.039950 where: bonds (distance) C4'-P energy: -61.821 bonds (distance) P-C4' energy: -67.181 flat angles C4'-P-C4' energy: -61.237 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -90.487 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: 206 Temperature: 1.050000 Total energy: -984.270422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.270422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.270422 (E_RNA) where: Base-Base interactions energy: -669.394 where: short stacking energy: -269.215 Base-Backbone interact. energy: -0.901 local terms energy: -313.976302 where: bonds (distance) C4'-P energy: -55.296 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -81.511 flat angles P-C4'-P energy: -41.379 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: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -845.216474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.216474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.216474 (E_RNA) where: Base-Base interactions energy: -560.285 where: short stacking energy: -249.475 Base-Backbone interact. energy: -1.210 local terms energy: -283.721975 where: bonds (distance) C4'-P energy: -48.205 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -58.649 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -70.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -820.537488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.537488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.537488 (E_RNA) where: Base-Base interactions energy: -541.403 where: short stacking energy: -239.060 Base-Backbone interact. energy: -1.034 local terms energy: -278.101314 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -53.437 flat angles C4'-P-C4' energy: -65.200 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -66.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -727.692394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.692394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.692394 (E_RNA) where: Base-Base interactions energy: -455.799 where: short stacking energy: -202.948 Base-Backbone interact. energy: 1.715 local terms energy: -273.608398 where: bonds (distance) C4'-P energy: -51.655 bonds (distance) P-C4' energy: -54.963 flat angles C4'-P-C4' energy: -62.213 flat angles P-C4'-P energy: -50.909 tors. eta vs tors. theta energy: -53.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -629.053124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.053124 (E_RNA) where: Base-Base interactions energy: -412.339 where: short stacking energy: -177.980 Base-Backbone interact. energy: -0.552 local terms energy: -216.162628 where: bonds (distance) C4'-P energy: -48.789 bonds (distance) P-C4' energy: -48.189 flat angles C4'-P-C4' energy: -55.639 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -33.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -449.314392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.314392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.314392 (E_RNA) where: Base-Base interactions energy: -258.794 where: short stacking energy: -136.915 Base-Backbone interact. energy: 3.793 local terms energy: -194.313763 where: bonds (distance) C4'-P energy: -48.586 bonds (distance) P-C4' energy: -54.970 flat angles C4'-P-C4' energy: -55.625 flat angles P-C4'-P energy: -21.830 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -266.600948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.600948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.600948 (E_RNA) where: Base-Base interactions energy: -92.112 where: short stacking energy: -87.633 Base-Backbone interact. energy: -1.523 local terms energy: -172.966343 where: bonds (distance) C4'-P energy: -46.374 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -47.040 flat angles P-C4'-P energy: -26.077 tors. eta vs tors. theta energy: 3.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1060.985868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.985868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.985868 (E_RNA) where: Base-Base interactions energy: -734.612 where: short stacking energy: -289.232 Base-Backbone interact. energy: -1.342 local terms energy: -325.031341 where: bonds (distance) C4'-P energy: -52.019 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -69.388 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -83.962 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: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1051.634315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.634315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.634315 (E_RNA) where: Base-Base interactions energy: -713.225 where: short stacking energy: -310.604 Base-Backbone interact. energy: -1.871 local terms energy: -336.538242 where: bonds (distance) C4'-P energy: -58.743 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -56.250 tors. eta vs tors. theta energy: -87.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -988.686847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.686847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.686847 (E_RNA) where: Base-Base interactions energy: -668.173 where: short stacking energy: -292.080 Base-Backbone interact. energy: -1.141 local terms energy: -319.373466 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -63.626 flat angles C4'-P-C4' energy: -68.130 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -73.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -965.805168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.805168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.805168 (E_RNA) where: Base-Base interactions energy: -668.157 where: short stacking energy: -282.715 Base-Backbone interact. energy: -2.070 local terms energy: -295.578089 where: bonds (distance) C4'-P energy: -58.314 bonds (distance) P-C4' energy: -60.153 flat angles C4'-P-C4' energy: -51.895 flat angles P-C4'-P energy: -46.066 tors. eta vs tors. theta energy: -79.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -842.869883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.869883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.869883 (E_RNA) where: Base-Base interactions energy: -539.601 where: short stacking energy: -237.431 Base-Backbone interact. energy: -1.123 local terms energy: -302.145480 where: bonds (distance) C4'-P energy: -60.601 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -69.777 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -67.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -858.603833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.603833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.603833 (E_RNA) where: Base-Base interactions energy: -577.068 where: short stacking energy: -243.139 Base-Backbone interact. energy: -2.730 local terms energy: -278.805181 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -63.231 flat angles P-C4'-P energy: -35.685 tors. eta vs tors. theta energy: -63.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -721.640128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.640128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.640128 (E_RNA) where: Base-Base interactions energy: -464.102 where: short stacking energy: -204.019 Base-Backbone interact. energy: -1.019 local terms energy: -256.518286 where: bonds (distance) C4'-P energy: -59.337 bonds (distance) P-C4' energy: -43.822 flat angles C4'-P-C4' energy: -60.045 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -53.449 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: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -596.929594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.929594 (E_RNA) where: Base-Base interactions energy: -387.266 where: short stacking energy: -171.354 Base-Backbone interact. energy: -1.388 local terms energy: -208.276488 where: bonds (distance) C4'-P energy: -53.032 bonds (distance) P-C4' energy: -47.705 flat angles C4'-P-C4' energy: -44.330 flat angles P-C4'-P energy: -33.702 tors. eta vs tors. theta energy: -29.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -450.262577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.262577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.262577 (E_RNA) where: Base-Base interactions energy: -244.815 where: short stacking energy: -137.860 Base-Backbone interact. energy: -3.432 local terms energy: -202.015469 where: bonds (distance) C4'-P energy: -58.871 bonds (distance) P-C4' energy: -53.970 flat angles C4'-P-C4' energy: -46.467 flat angles P-C4'-P energy: -29.648 tors. eta vs tors. theta energy: -13.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -268.850268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.850268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.850268 (E_RNA) where: Base-Base interactions energy: -89.843 where: short stacking energy: -74.165 Base-Backbone interact. energy: -0.916 local terms energy: -178.091561 where: bonds (distance) C4'-P energy: -52.194 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -54.273 flat angles P-C4'-P energy: -19.944 tors. eta vs tors. theta energy: 2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1094.950573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.950573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.950573 (E_RNA) where: Base-Base interactions energy: -739.696 where: short stacking energy: -327.881 Base-Backbone interact. energy: -1.250 local terms energy: -354.004142 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -67.984 flat angles C4'-P-C4' energy: -76.999 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -96.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1040.279884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.279884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.279884 (E_RNA) where: Base-Base interactions energy: -714.940 where: short stacking energy: -295.663 Base-Backbone interact. energy: 0.343 local terms energy: -325.683496 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -65.029 flat angles C4'-P-C4' energy: -66.387 flat angles P-C4'-P energy: -44.736 tors. eta vs tors. theta energy: -90.202 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: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1002.371836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.371836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.371836 (E_RNA) where: Base-Base interactions energy: -684.187 where: short stacking energy: -289.769 Base-Backbone interact. energy: -1.517 local terms energy: -316.667466 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -47.624 tors. eta vs tors. theta energy: -81.633 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: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -971.797727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.797727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.797727 (E_RNA) where: Base-Base interactions energy: -671.206 where: short stacking energy: -275.025 Base-Backbone interact. energy: -3.676 local terms energy: -296.915699 where: bonds (distance) C4'-P energy: -54.671 bonds (distance) P-C4' energy: -57.829 flat angles C4'-P-C4' energy: -61.145 flat angles P-C4'-P energy: -42.437 tors. eta vs tors. theta energy: -80.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -895.603310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.603310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.603310 (E_RNA) where: Base-Base interactions energy: -585.499 where: short stacking energy: -263.341 Base-Backbone interact. energy: -1.665 local terms energy: -308.438578 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -67.980 flat angles C4'-P-C4' energy: -60.623 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -78.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -765.276407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.276407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.276407 (E_RNA) where: Base-Base interactions energy: -493.944 where: short stacking energy: -230.765 Base-Backbone interact. energy: -0.919 local terms energy: -270.413377 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -56.610 flat angles C4'-P-C4' energy: -57.051 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: -60.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -723.128706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.128706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.128706 (E_RNA) where: Base-Base interactions energy: -477.109 where: short stacking energy: -232.152 Base-Backbone interact. energy: -1.964 local terms energy: -244.056364 where: bonds (distance) C4'-P energy: -51.262 bonds (distance) P-C4' energy: -56.227 flat angles C4'-P-C4' energy: -60.925 flat angles P-C4'-P energy: -26.960 tors. eta vs tors. theta energy: -48.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -613.413460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.413460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.413460 (E_RNA) where: Base-Base interactions energy: -401.411 where: short stacking energy: -180.238 Base-Backbone interact. energy: -1.999 local terms energy: -210.003017 where: bonds (distance) C4'-P energy: -56.281 bonds (distance) P-C4' energy: -52.587 flat angles C4'-P-C4' energy: -50.994 flat angles P-C4'-P energy: -24.358 tors. eta vs tors. theta energy: -25.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -495.584747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.584747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.584747 (E_RNA) where: Base-Base interactions energy: -281.442 where: short stacking energy: -159.076 Base-Backbone interact. energy: -1.073 local terms energy: -213.070023 where: bonds (distance) C4'-P energy: -59.623 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -51.405 flat angles P-C4'-P energy: -31.416 tors. eta vs tors. theta energy: -14.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -274.288738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.288738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.288738 (E_RNA) where: Base-Base interactions energy: -93.439 where: short stacking energy: -81.752 Base-Backbone interact. energy: 2.775 local terms energy: -183.623911 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -45.553 flat angles P-C4'-P energy: -30.517 tors. eta vs tors. theta energy: 10.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1083.448156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.448156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.448156 (E_RNA) where: Base-Base interactions energy: -738.922 where: short stacking energy: -321.245 Base-Backbone interact. energy: -2.153 local terms energy: -342.372310 where: bonds (distance) C4'-P energy: -67.098 bonds (distance) P-C4' energy: -70.476 flat angles C4'-P-C4' energy: -63.672 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -96.954 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: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1048.685382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.685382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.685382 (E_RNA) where: Base-Base interactions energy: -711.150 where: short stacking energy: -294.052 Base-Backbone interact. energy: -0.837 local terms energy: -336.698177 where: bonds (distance) C4'-P energy: -57.892 bonds (distance) P-C4' energy: -64.201 flat angles C4'-P-C4' energy: -71.291 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -90.590 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: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1025.108785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.108785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.108785 (E_RNA) where: Base-Base interactions energy: -693.122 where: short stacking energy: -296.287 Base-Backbone interact. energy: 0.889 local terms energy: -332.875279 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -69.488 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: -87.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -973.975540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.975540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.975540 (E_RNA) where: Base-Base interactions energy: -656.049 where: short stacking energy: -274.252 Base-Backbone interact. energy: -0.201 local terms energy: -317.725567 where: bonds (distance) C4'-P energy: -64.845 bonds (distance) P-C4' energy: -57.374 flat angles C4'-P-C4' energy: -72.879 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -73.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -885.792993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.792993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.792993 (E_RNA) where: Base-Base interactions energy: -581.766 where: short stacking energy: -276.221 Base-Backbone interact. energy: -1.537 local terms energy: -302.489749 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -58.302 flat angles P-C4'-P energy: -47.104 tors. eta vs tors. theta energy: -74.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -764.743887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.743887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.743887 (E_RNA) where: Base-Base interactions energy: -502.431 where: short stacking energy: -231.436 Base-Backbone interact. energy: -1.015 local terms energy: -261.297530 where: bonds (distance) C4'-P energy: -56.212 bonds (distance) P-C4' energy: -56.079 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: -57.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -725.060363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.060363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.060363 (E_RNA) where: Base-Base interactions energy: -472.804 where: short stacking energy: -223.087 Base-Backbone interact. energy: -0.127 local terms energy: -252.129171 where: bonds (distance) C4'-P energy: -46.387 bonds (distance) P-C4' energy: -46.639 flat angles C4'-P-C4' energy: -65.196 flat angles P-C4'-P energy: -37.765 tors. eta vs tors. theta energy: -56.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -633.052246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.052246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.052246 (E_RNA) where: Base-Base interactions energy: -413.917 where: short stacking energy: -193.150 Base-Backbone interact. energy: 1.479 local terms energy: -220.614349 where: bonds (distance) C4'-P energy: -51.174 bonds (distance) P-C4' energy: -58.573 flat angles C4'-P-C4' energy: -49.365 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: -29.692 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: 209 Temperature: 1.300000 Total energy: -500.028598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.028598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.028598 (E_RNA) where: Base-Base interactions energy: -279.946 where: short stacking energy: -130.973 Base-Backbone interact. energy: 1.266 local terms energy: -221.348748 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -59.970 flat angles C4'-P-C4' energy: -38.873 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -24.241 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: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -283.522130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.522130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.522130 (E_RNA) where: Base-Base interactions energy: -114.765 where: short stacking energy: -73.079 Base-Backbone interact. energy: 3.118 local terms energy: -171.874925 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -64.670 flat angles C4'-P-C4' energy: -32.175 flat angles P-C4'-P energy: -27.490 tors. eta vs tors. theta energy: 13.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1077.278187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.278187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.278187 (E_RNA) where: Base-Base interactions energy: -728.637 where: short stacking energy: -323.104 Base-Backbone interact. energy: -2.086 local terms energy: -346.554801 where: bonds (distance) C4'-P energy: -66.340 bonds (distance) P-C4' energy: -66.001 flat angles C4'-P-C4' energy: -79.936 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -85.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1063.060070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.060070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.060070 (E_RNA) where: Base-Base interactions energy: -724.701 where: short stacking energy: -308.959 Base-Backbone interact. energy: -3.685 local terms energy: -334.673843 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -65.161 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -50.018 tors. eta vs tors. theta energy: -87.323 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: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1036.332655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.332655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.332655 (E_RNA) where: Base-Base interactions energy: -718.340 where: short stacking energy: -317.955 Base-Backbone interact. energy: -1.066 local terms energy: -316.926154 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -61.712 flat angles P-C4'-P energy: -44.366 tors. eta vs tors. theta energy: -89.628 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: 210 Temperature: 1.050000 Total energy: -936.208130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.208130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.208130 (E_RNA) where: Base-Base interactions energy: -647.475 where: short stacking energy: -256.928 Base-Backbone interact. energy: -2.868 local terms energy: -285.865788 where: bonds (distance) C4'-P energy: -54.383 bonds (distance) P-C4' energy: -66.270 flat angles C4'-P-C4' energy: -56.079 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -67.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -903.694356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.694356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.694356 (E_RNA) where: Base-Base interactions energy: -613.099 where: short stacking energy: -272.226 Base-Backbone interact. energy: 2.712 local terms energy: -293.307380 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -56.553 flat angles C4'-P-C4' energy: -62.153 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -75.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -746.773990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.773990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.773990 (E_RNA) where: Base-Base interactions energy: -478.064 where: short stacking energy: -219.217 Base-Backbone interact. energy: -2.460 local terms energy: -266.249934 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -52.914 flat angles P-C4'-P energy: -37.723 tors. eta vs tors. theta energy: -62.194 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: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -762.921751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.921751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.921751 (E_RNA) where: Base-Base interactions energy: -480.616 where: short stacking energy: -234.998 Base-Backbone interact. energy: -1.036 local terms energy: -281.269723 where: bonds (distance) C4'-P energy: -63.133 bonds (distance) P-C4' energy: -52.279 flat angles C4'-P-C4' energy: -63.802 flat angles P-C4'-P energy: -38.177 tors. eta vs tors. theta energy: -63.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -636.964942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.964942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.964942 (E_RNA) where: Base-Base interactions energy: -402.356 where: short stacking energy: -181.380 Base-Backbone interact. energy: -0.257 local terms energy: -234.351713 where: bonds (distance) C4'-P energy: -40.315 bonds (distance) P-C4' energy: -56.228 flat angles C4'-P-C4' energy: -62.626 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -36.766 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: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -544.994044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.994044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.994044 (E_RNA) where: Base-Base interactions energy: -320.256 where: short stacking energy: -154.313 Base-Backbone interact. energy: -1.308 local terms energy: -223.430182 where: bonds (distance) C4'-P energy: -44.772 bonds (distance) P-C4' energy: -53.506 flat angles C4'-P-C4' energy: -60.004 flat angles P-C4'-P energy: -32.817 tors. eta vs tors. theta energy: -32.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -258.182263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.182263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.182263 (E_RNA) where: Base-Base interactions energy: -82.779 where: short stacking energy: -78.578 Base-Backbone interact. energy: -0.324 local terms energy: -175.078939 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -58.827 flat angles C4'-P-C4' energy: -41.839 flat angles P-C4'-P energy: -23.416 tors. eta vs tors. theta energy: 4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1101.769259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.769259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.769259 (E_RNA) where: Base-Base interactions energy: -759.896 where: short stacking energy: -320.535 Base-Backbone interact. energy: -0.454 local terms energy: -341.419663 where: bonds (distance) C4'-P energy: -58.961 bonds (distance) P-C4' energy: -68.843 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -94.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1063.081148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.081148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.081148 (E_RNA) where: Base-Base interactions energy: -736.006 where: short stacking energy: -308.187 Base-Backbone interact. energy: -5.195 local terms energy: -321.880251 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -63.301 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -90.682 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: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1039.741333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.741333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.741333 (E_RNA) where: Base-Base interactions energy: -709.361 where: short stacking energy: -327.992 Base-Backbone interact. energy: -1.703 local terms energy: -328.677392 where: bonds (distance) C4'-P energy: -50.905 bonds (distance) P-C4' energy: -68.681 flat angles C4'-P-C4' energy: -74.499 flat angles P-C4'-P energy: -42.178 tors. eta vs tors. theta energy: -92.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -971.376206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.376206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.376206 (E_RNA) where: Base-Base interactions energy: -655.071 where: short stacking energy: -278.708 Base-Backbone interact. energy: -2.756 local terms energy: -313.548289 where: bonds (distance) C4'-P energy: -58.841 bonds (distance) P-C4' energy: -60.825 flat angles C4'-P-C4' energy: -64.837 flat angles P-C4'-P energy: -52.381 tors. eta vs tors. theta energy: -76.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -886.657431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.657431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.657431 (E_RNA) where: Base-Base interactions energy: -593.625 where: short stacking energy: -264.202 Base-Backbone interact. energy: 0.202 local terms energy: -293.234973 where: bonds (distance) C4'-P energy: -54.100 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -30.732 tors. eta vs tors. theta energy: -79.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -787.730932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.730932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.730932 (E_RNA) where: Base-Base interactions energy: -512.344 where: short stacking energy: -247.387 Base-Backbone interact. energy: -0.756 local terms energy: -274.630510 where: bonds (distance) C4'-P energy: -51.025 bonds (distance) P-C4' energy: -54.912 flat angles C4'-P-C4' energy: -71.733 flat angles P-C4'-P energy: -37.757 tors. eta vs tors. theta energy: -59.203 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: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -727.033750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.033750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.033750 (E_RNA) where: Base-Base interactions energy: -462.752 where: short stacking energy: -226.440 Base-Backbone interact. energy: -0.742 local terms energy: -263.539698 where: bonds (distance) C4'-P energy: -37.909 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -59.974 flat angles P-C4'-P energy: -44.127 tors. eta vs tors. theta energy: -57.572 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: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -638.567996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.567996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.567996 (E_RNA) where: Base-Base interactions energy: -404.052 where: short stacking energy: -183.363 Base-Backbone interact. energy: 0.953 local terms energy: -235.469544 where: bonds (distance) C4'-P energy: -62.339 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -42.225 flat angles P-C4'-P energy: -35.445 tors. eta vs tors. theta energy: -34.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -516.244627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.244627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.244627 (E_RNA) where: Base-Base interactions energy: -301.132 where: short stacking energy: -137.490 Base-Backbone interact. energy: 0.942 local terms energy: -216.055013 where: bonds (distance) C4'-P energy: -53.212 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -39.257 flat angles P-C4'-P energy: -34.457 tors. eta vs tors. theta energy: -30.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -296.378215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.378215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.378215 (E_RNA) where: Base-Base interactions energy: -96.948 where: short stacking energy: -71.709 Base-Backbone interact. energy: -1.081 local terms energy: -198.348779 where: bonds (distance) C4'-P energy: -39.096 bonds (distance) P-C4' energy: -66.263 flat angles C4'-P-C4' energy: -45.841 flat angles P-C4'-P energy: -35.964 tors. eta vs tors. theta energy: -11.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1102.558742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.558742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.558742 (E_RNA) where: Base-Base interactions energy: -760.486 where: short stacking energy: -308.601 Base-Backbone interact. energy: -2.079 local terms energy: -339.994143 where: bonds (distance) C4'-P energy: -71.031 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -67.865 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -91.528 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: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1066.761546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.761546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.761546 (E_RNA) where: Base-Base interactions energy: -711.744 where: short stacking energy: -312.138 Base-Backbone interact. energy: -2.759 local terms energy: -352.258554 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -70.825 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -49.658 tors. eta vs tors. theta energy: -91.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1009.954089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.954089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.954089 (E_RNA) where: Base-Base interactions energy: -690.750 where: short stacking energy: -312.300 Base-Backbone interact. energy: -2.035 local terms energy: -317.168629 where: bonds (distance) C4'-P energy: -63.275 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -69.364 flat angles P-C4'-P energy: -34.864 tors. eta vs tors. theta energy: -85.329 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: 212 Temperature: 1.050000 Total energy: -980.474344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.474344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.474344 (E_RNA) where: Base-Base interactions energy: -650.576 where: short stacking energy: -286.731 Base-Backbone interact. energy: -0.111 local terms energy: -329.786827 where: bonds (distance) C4'-P energy: -69.781 bonds (distance) P-C4' energy: -61.189 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -41.417 tors. eta vs tors. theta energy: -83.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -881.618277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.618277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.618277 (E_RNA) where: Base-Base interactions energy: -608.774 where: short stacking energy: -251.904 Base-Backbone interact. energy: -0.167 local terms energy: -272.677746 where: bonds (distance) C4'-P energy: -58.514 bonds (distance) P-C4' energy: -59.343 flat angles C4'-P-C4' energy: -54.597 flat angles P-C4'-P energy: -37.160 tors. eta vs tors. theta energy: -63.064 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: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -778.440450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.440450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.440450 (E_RNA) where: Base-Base interactions energy: -497.471 where: short stacking energy: -239.881 Base-Backbone interact. energy: -1.812 local terms energy: -279.158126 where: bonds (distance) C4'-P energy: -52.508 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -56.559 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -63.256 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: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -678.971463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.971463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.971463 (E_RNA) where: Base-Base interactions energy: -428.104 where: short stacking energy: -213.851 Base-Backbone interact. energy: -3.177 local terms energy: -247.690250 where: bonds (distance) C4'-P energy: -51.271 bonds (distance) P-C4' energy: -57.814 flat angles C4'-P-C4' energy: -56.951 flat angles P-C4'-P energy: -35.984 tors. eta vs tors. theta energy: -45.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -642.496294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.496294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.496294 (E_RNA) where: Base-Base interactions energy: -411.448 where: short stacking energy: -189.329 Base-Backbone interact. energy: -0.750 local terms energy: -230.298142 where: bonds (distance) C4'-P energy: -54.614 bonds (distance) P-C4' energy: -41.722 flat angles C4'-P-C4' energy: -57.585 flat angles P-C4'-P energy: -33.576 tors. eta vs tors. theta energy: -42.801 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: 212 Temperature: 1.300000 Total energy: -471.554783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.554783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.554783 (E_RNA) where: Base-Base interactions energy: -264.064 where: short stacking energy: -146.085 Base-Backbone interact. energy: 1.562 local terms energy: -209.052515 where: bonds (distance) C4'-P energy: -59.088 bonds (distance) P-C4' energy: -42.680 flat angles C4'-P-C4' energy: -47.923 flat angles P-C4'-P energy: -41.261 tors. eta vs tors. theta energy: -18.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -270.675345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.675345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.675345 (E_RNA) where: Base-Base interactions energy: -84.996 where: short stacking energy: -75.524 Base-Backbone interact. energy: 0.411 local terms energy: -186.091182 where: bonds (distance) C4'-P energy: -45.578 bonds (distance) P-C4' energy: -59.724 flat angles C4'-P-C4' energy: -56.012 flat angles P-C4'-P energy: -30.268 tors. eta vs tors. theta energy: 5.491 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: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1119.175570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.175570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.175570 (E_RNA) where: Base-Base interactions energy: -767.258 where: short stacking energy: -344.334 Base-Backbone interact. energy: -1.871 local terms energy: -350.046238 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -77.722 flat angles P-C4'-P energy: -56.306 tors. eta vs tors. theta energy: -96.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1045.178921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.178921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.178921 (E_RNA) where: Base-Base interactions energy: -707.222 where: short stacking energy: -299.033 Base-Backbone interact. energy: 0.092 local terms energy: -338.048816 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -57.142 flat angles C4'-P-C4' energy: -72.525 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -93.910 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: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1035.143831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.143831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.143831 (E_RNA) where: Base-Base interactions energy: -684.366 where: short stacking energy: -308.661 Base-Backbone interact. energy: -0.781 local terms energy: -349.997157 where: bonds (distance) C4'-P energy: -64.753 bonds (distance) P-C4' energy: -69.227 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -97.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -982.496311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.496311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.496311 (E_RNA) where: Base-Base interactions energy: -644.506 where: short stacking energy: -286.563 Base-Backbone interact. energy: -1.400 local terms energy: -336.591007 where: bonds (distance) C4'-P energy: -58.484 bonds (distance) P-C4' energy: -65.291 flat angles C4'-P-C4' energy: -72.830 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -90.994 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -831.419290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.419290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.419290 (E_RNA) where: Base-Base interactions energy: -529.505 where: short stacking energy: -228.652 Base-Backbone interact. energy: 0.561 local terms energy: -302.475444 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -64.975 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -47.326 tors. eta vs tors. theta energy: -65.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -807.924456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.924456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.924456 (E_RNA) where: Base-Base interactions energy: -535.028 where: short stacking energy: -244.764 Base-Backbone interact. energy: -1.102 local terms energy: -271.794757 where: bonds (distance) C4'-P energy: -54.704 bonds (distance) P-C4' energy: -51.886 flat angles C4'-P-C4' energy: -59.585 flat angles P-C4'-P energy: -37.590 tors. eta vs tors. theta energy: -68.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -639.681747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.681747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.681747 (E_RNA) where: Base-Base interactions energy: -394.509 where: short stacking energy: -167.573 Base-Backbone interact. energy: -1.413 local terms energy: -243.759826 where: bonds (distance) C4'-P energy: -50.167 bonds (distance) P-C4' energy: -50.230 flat angles C4'-P-C4' energy: -52.727 flat angles P-C4'-P energy: -47.236 tors. eta vs tors. theta energy: -43.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -620.257151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.257151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.257151 (E_RNA) where: Base-Base interactions energy: -383.878 where: short stacking energy: -157.589 Base-Backbone interact. energy: -0.511 local terms energy: -235.868522 where: bonds (distance) C4'-P energy: -51.940 bonds (distance) P-C4' energy: -58.706 flat angles C4'-P-C4' energy: -57.481 flat angles P-C4'-P energy: -32.895 tors. eta vs tors. theta energy: -34.848 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: 213 Temperature: 1.300000 Total energy: -451.031383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.031383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.031383 (E_RNA) where: Base-Base interactions energy: -242.638 where: short stacking energy: -135.532 Base-Backbone interact. energy: -0.705 local terms energy: -207.688140 where: bonds (distance) C4'-P energy: -41.220 bonds (distance) P-C4' energy: -56.285 flat angles C4'-P-C4' energy: -55.136 flat angles P-C4'-P energy: -36.952 tors. eta vs tors. theta energy: -18.094 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: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -275.710298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.710298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.710298 (E_RNA) where: Base-Base interactions energy: -95.685 where: short stacking energy: -86.729 Base-Backbone interact. energy: -1.165 local terms energy: -178.860746 where: bonds (distance) C4'-P energy: -56.745 bonds (distance) P-C4' energy: -53.933 flat angles C4'-P-C4' energy: -45.587 flat angles P-C4'-P energy: -30.447 tors. eta vs tors. theta energy: 7.850 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: 214 Temperature: 0.900000 Total energy: -1118.318989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.318989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.318989 (E_RNA) where: Base-Base interactions energy: -758.758 where: short stacking energy: -332.257 Base-Backbone interact. energy: -2.017 local terms energy: -357.543539 where: bonds (distance) C4'-P energy: -63.812 bonds (distance) P-C4' energy: -65.952 flat angles C4'-P-C4' energy: -77.399 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -99.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1064.915205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.915205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.915205 (E_RNA) where: Base-Base interactions energy: -726.422 where: short stacking energy: -297.072 Base-Backbone interact. energy: -2.854 local terms energy: -335.639519 where: bonds (distance) C4'-P energy: -64.600 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -68.480 flat angles P-C4'-P energy: -54.296 tors. eta vs tors. theta energy: -86.787 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: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1007.518846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.518846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.518846 (E_RNA) where: Base-Base interactions energy: -658.660 where: short stacking energy: -311.673 Base-Backbone interact. energy: -0.872 local terms energy: -347.987320 where: bonds (distance) C4'-P energy: -56.984 bonds (distance) P-C4' energy: -73.514 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -96.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -978.499572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.499572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.499572 (E_RNA) where: Base-Base interactions energy: -666.253 where: short stacking energy: -281.271 Base-Backbone interact. energy: -0.493 local terms energy: -311.754022 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -65.714 flat angles P-C4'-P energy: -44.160 tors. eta vs tors. theta energy: -76.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -853.678291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.678291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.678291 (E_RNA) where: Base-Base interactions energy: -569.726 where: short stacking energy: -265.684 Base-Backbone interact. energy: 2.395 local terms energy: -286.347203 where: bonds (distance) C4'-P energy: -50.215 bonds (distance) P-C4' energy: -57.788 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -43.471 tors. eta vs tors. theta energy: -66.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -783.081585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.081585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.081585 (E_RNA) where: Base-Base interactions energy: -503.193 where: short stacking energy: -234.694 Base-Backbone interact. energy: -2.104 local terms energy: -277.784343 where: bonds (distance) C4'-P energy: -47.931 bonds (distance) P-C4' energy: -53.719 flat angles C4'-P-C4' energy: -64.459 flat angles P-C4'-P energy: -51.756 tors. eta vs tors. theta energy: -59.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -626.293760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.293760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.293760 (E_RNA) where: Base-Base interactions energy: -407.194 where: short stacking energy: -173.615 Base-Backbone interact. energy: -1.699 local terms energy: -217.400255 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -53.210 flat angles C4'-P-C4' energy: -47.844 flat angles P-C4'-P energy: -40.442 tors. eta vs tors. theta energy: -17.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -563.708447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.708447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.708447 (E_RNA) where: Base-Base interactions energy: -333.084 where: short stacking energy: -157.090 Base-Backbone interact. energy: 0.138 local terms energy: -230.763218 where: bonds (distance) C4'-P energy: -51.150 bonds (distance) P-C4' energy: -64.524 flat angles C4'-P-C4' energy: -51.575 flat angles P-C4'-P energy: -33.610 tors. eta vs tors. theta energy: -29.904 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: 214 Temperature: 1.300000 Total energy: -412.368382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.368382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.368382 (E_RNA) where: Base-Base interactions energy: -210.032 where: short stacking energy: -136.930 Base-Backbone interact. energy: -0.277 local terms energy: -202.059231 where: bonds (distance) C4'-P energy: -46.653 bonds (distance) P-C4' energy: -61.650 flat angles C4'-P-C4' energy: -45.364 flat angles P-C4'-P energy: -30.152 tors. eta vs tors. theta energy: -18.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -261.025770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.025770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.025770 (E_RNA) where: Base-Base interactions energy: -66.809 where: short stacking energy: -60.266 Base-Backbone interact. energy: 1.741 local terms energy: -195.957922 where: bonds (distance) C4'-P energy: -60.016 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -49.687 flat angles P-C4'-P energy: -35.432 tors. eta vs tors. theta energy: 7.709 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: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1101.648922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.648922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.648922 (E_RNA) where: Base-Base interactions energy: -739.965 where: short stacking energy: -317.108 Base-Backbone interact. energy: -2.183 local terms energy: -359.501094 where: bonds (distance) C4'-P energy: -66.800 bonds (distance) P-C4' energy: -63.837 flat angles C4'-P-C4' energy: -75.238 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -99.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1057.624472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.624472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.624472 (E_RNA) where: Base-Base interactions energy: -725.304 where: short stacking energy: -309.788 Base-Backbone interact. energy: -1.776 local terms energy: -330.544011 where: bonds (distance) C4'-P energy: -55.474 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -71.473 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -86.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -982.520638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.520638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.520638 (E_RNA) where: Base-Base interactions energy: -654.443 where: short stacking energy: -283.244 Base-Backbone interact. energy: -1.088 local terms energy: -326.990026 where: bonds (distance) C4'-P energy: -67.449 bonds (distance) P-C4' energy: -63.082 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -82.134 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: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -996.736566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.736566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.736566 (E_RNA) where: Base-Base interactions energy: -668.823 where: short stacking energy: -295.350 Base-Backbone interact. energy: -0.051 local terms energy: -327.862157 where: bonds (distance) C4'-P energy: -69.143 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -65.831 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -88.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -852.059882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.059882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.059882 (E_RNA) where: Base-Base interactions energy: -591.684 where: short stacking energy: -246.146 Base-Backbone interact. energy: 0.202 local terms energy: -260.578295 where: bonds (distance) C4'-P energy: -42.058 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -55.470 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -61.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -750.413427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.413427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.413427 (E_RNA) where: Base-Base interactions energy: -492.711 where: short stacking energy: -225.714 Base-Backbone interact. energy: -2.227 local terms energy: -255.475000 where: bonds (distance) C4'-P energy: -57.737 bonds (distance) P-C4' energy: -49.751 flat angles C4'-P-C4' energy: -49.368 flat angles P-C4'-P energy: -35.475 tors. eta vs tors. theta energy: -63.144 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: 215 Temperature: 1.200000 Total energy: -661.826542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.826542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.826542 (E_RNA) where: Base-Base interactions energy: -412.343 where: short stacking energy: -193.638 Base-Backbone interact. energy: -0.203 local terms energy: -249.280587 where: bonds (distance) C4'-P energy: -57.569 bonds (distance) P-C4' energy: -55.076 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -33.725 tors. eta vs tors. theta energy: -39.689 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: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -588.997152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.997152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.997152 (E_RNA) where: Base-Base interactions energy: -350.644 where: short stacking energy: -176.561 Base-Backbone interact. energy: -0.144 local terms energy: -238.208556 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -38.399 flat angles P-C4'-P energy: -38.489 tors. eta vs tors. theta energy: -38.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -405.272051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.272051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.272051 (E_RNA) where: Base-Base interactions energy: -198.640 where: short stacking energy: -98.327 Base-Backbone interact. energy: 3.913 local terms energy: -210.545033 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -64.851 flat angles C4'-P-C4' energy: -54.412 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -293.337028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.337028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.337028 (E_RNA) where: Base-Base interactions energy: -92.566 where: short stacking energy: -83.586 Base-Backbone interact. energy: 0.245 local terms energy: -201.016658 where: bonds (distance) C4'-P energy: -58.505 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -55.687 flat angles P-C4'-P energy: -23.934 tors. eta vs tors. theta energy: 0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1075.075173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.075173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.075173 (E_RNA) where: Base-Base interactions energy: -727.059 where: short stacking energy: -311.791 Base-Backbone interact. energy: -1.788 local terms energy: -346.227555 where: bonds (distance) C4'-P energy: -68.040 bonds (distance) P-C4' energy: -70.282 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -42.115 tors. eta vs tors. theta energy: -91.157 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: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1090.225205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.225205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.225205 (E_RNA) where: Base-Base interactions energy: -737.870 where: short stacking energy: -324.443 Base-Backbone interact. energy: -1.960 local terms energy: -350.395662 where: bonds (distance) C4'-P energy: -56.338 bonds (distance) P-C4' energy: -72.172 flat angles C4'-P-C4' energy: -74.688 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -94.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1030.056323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.056323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.056323 (E_RNA) where: Base-Base interactions energy: -695.103 where: short stacking energy: -306.254 Base-Backbone interact. energy: 0.430 local terms energy: -335.383327 where: bonds (distance) C4'-P energy: -69.889 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -68.683 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -90.607 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: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -992.208633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.208633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.208633 (E_RNA) where: Base-Base interactions energy: -684.573 where: short stacking energy: -305.661 Base-Backbone interact. energy: 0.896 local terms energy: -308.531028 where: bonds (distance) C4'-P energy: -54.185 bonds (distance) P-C4' energy: -59.255 flat angles C4'-P-C4' energy: -73.382 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -80.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -789.156539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.156539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.156539 (E_RNA) where: Base-Base interactions energy: -516.623 where: short stacking energy: -236.140 Base-Backbone interact. energy: -0.679 local terms energy: -271.854746 where: bonds (distance) C4'-P energy: -53.207 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -42.229 tors. eta vs tors. theta energy: -55.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -851.431968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.431968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.431968 (E_RNA) where: Base-Base interactions energy: -572.455 where: short stacking energy: -247.035 Base-Backbone interact. energy: -1.771 local terms energy: -277.206552 where: bonds (distance) C4'-P energy: -47.223 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -65.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -654.458440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.458440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.458440 (E_RNA) where: Base-Base interactions energy: -417.846 where: short stacking energy: -171.311 Base-Backbone interact. energy: -0.718 local terms energy: -235.895060 where: bonds (distance) C4'-P energy: -53.942 bonds (distance) P-C4' energy: -64.793 flat angles C4'-P-C4' energy: -59.643 flat angles P-C4'-P energy: -29.804 tors. eta vs tors. theta energy: -27.713 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: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -583.923159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.923159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.923159 (E_RNA) where: Base-Base interactions energy: -362.017 where: short stacking energy: -170.034 Base-Backbone interact. energy: -3.339 local terms energy: -218.567388 where: bonds (distance) C4'-P energy: -53.344 bonds (distance) P-C4' energy: -51.812 flat angles C4'-P-C4' energy: -51.132 flat angles P-C4'-P energy: -36.938 tors. eta vs tors. theta energy: -25.342 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: 216 Temperature: 1.300000 Total energy: -420.571398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.571398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.571398 (E_RNA) where: Base-Base interactions energy: -247.248 where: short stacking energy: -116.007 Base-Backbone interact. energy: -0.043 local terms energy: -173.280316 where: bonds (distance) C4'-P energy: -47.171 bonds (distance) P-C4' energy: -39.258 flat angles C4'-P-C4' energy: -47.030 flat angles P-C4'-P energy: -37.467 tors. eta vs tors. theta energy: -2.354 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: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -285.665990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.665990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.665990 (E_RNA) where: Base-Base interactions energy: -141.110 where: short stacking energy: -73.690 Base-Backbone interact. energy: 0.760 local terms energy: -145.315702 where: bonds (distance) C4'-P energy: -45.429 bonds (distance) P-C4' energy: -52.573 flat angles C4'-P-C4' energy: -33.045 flat angles P-C4'-P energy: -17.625 tors. eta vs tors. theta energy: 3.356 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: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1078.036010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.036010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.036010 (E_RNA) where: Base-Base interactions energy: -722.190 where: short stacking energy: -311.537 Base-Backbone interact. energy: -3.430 local terms energy: -352.415946 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -71.327 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -95.602 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: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1074.163202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.163202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.163202 (E_RNA) where: Base-Base interactions energy: -738.700 where: short stacking energy: -323.005 Base-Backbone interact. energy: -1.529 local terms energy: -333.934055 where: bonds (distance) C4'-P energy: -53.337 bonds (distance) P-C4' energy: -62.894 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -49.129 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: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1021.781339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.781339 (E_RNA) where: Base-Base interactions energy: -710.362 where: short stacking energy: -309.261 Base-Backbone interact. energy: -0.909 local terms energy: -310.509549 where: bonds (distance) C4'-P energy: -59.668 bonds (distance) P-C4' energy: -62.031 flat angles C4'-P-C4' energy: -71.930 flat angles P-C4'-P energy: -26.762 tors. eta vs tors. theta energy: -90.119 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: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1009.891155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.891155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.891155 (E_RNA) where: Base-Base interactions energy: -690.828 where: short stacking energy: -305.027 Base-Backbone interact. energy: -1.153 local terms energy: -317.910021 where: bonds (distance) C4'-P energy: -48.912 bonds (distance) P-C4' energy: -69.929 flat angles C4'-P-C4' energy: -68.866 flat angles P-C4'-P energy: -37.054 tors. eta vs tors. theta energy: -93.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -756.156404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.156404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.156404 (E_RNA) where: Base-Base interactions energy: -468.643 where: short stacking energy: -243.755 Base-Backbone interact. energy: -0.492 local terms energy: -287.021935 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -58.421 flat angles C4'-P-C4' energy: -67.952 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -64.937 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: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -867.676348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.676348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.676348 (E_RNA) where: Base-Base interactions energy: -570.362 where: short stacking energy: -243.830 Base-Backbone interact. energy: 2.859 local terms energy: -300.172703 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -47.760 tors. eta vs tors. theta energy: -63.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -661.371625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.371625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.371625 (E_RNA) where: Base-Base interactions energy: -389.405 where: short stacking energy: -186.572 Base-Backbone interact. energy: 2.702 local terms energy: -274.668324 where: bonds (distance) C4'-P energy: -66.885 bonds (distance) P-C4' energy: -64.127 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -33.262 tors. eta vs tors. theta energy: -46.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -500.294038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.294038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.294038 (E_RNA) where: Base-Base interactions energy: -264.591 where: short stacking energy: -143.205 Base-Backbone interact. energy: -0.933 local terms energy: -234.770326 where: bonds (distance) C4'-P energy: -52.408 bonds (distance) P-C4' energy: -68.350 flat angles C4'-P-C4' energy: -64.122 flat angles P-C4'-P energy: -28.653 tors. eta vs tors. theta energy: -21.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -471.746195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.746195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.746195 (E_RNA) where: Base-Base interactions energy: -271.796 where: short stacking energy: -136.511 Base-Backbone interact. energy: 0.026 local terms energy: -199.976596 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -51.766 flat angles C4'-P-C4' energy: -46.917 flat angles P-C4'-P energy: -28.807 tors. eta vs tors. theta energy: -10.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -269.908355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.908355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.908355 (E_RNA) where: Base-Base interactions energy: -102.689 where: short stacking energy: -88.104 Base-Backbone interact. energy: 0.439 local terms energy: -167.658689 where: bonds (distance) C4'-P energy: -33.012 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -44.808 flat angles P-C4'-P energy: -28.726 tors. eta vs tors. theta energy: 1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1089.961677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.961677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.961677 (E_RNA) where: Base-Base interactions energy: -743.577 where: short stacking energy: -329.768 Base-Backbone interact. energy: -0.858 local terms energy: -345.526892 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -73.038 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -99.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1049.665384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.665384 (E_RNA) where: Base-Base interactions energy: -722.129 where: short stacking energy: -309.320 Base-Backbone interact. energy: -1.018 local terms energy: -326.518284 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -61.191 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -82.234 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: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1047.507925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.507925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.507925 (E_RNA) where: Base-Base interactions energy: -719.494 where: short stacking energy: -294.272 Base-Backbone interact. energy: 0.030 local terms energy: -328.044204 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -61.387 flat angles C4'-P-C4' energy: -72.443 flat angles P-C4'-P energy: -47.533 tors. eta vs tors. theta energy: -88.233 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: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -991.848148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.848148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.848148 (E_RNA) where: Base-Base interactions energy: -672.623 where: short stacking energy: -299.759 Base-Backbone interact. energy: -0.620 local terms energy: -318.605546 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -66.288 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -86.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -852.258691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.258691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.258691 (E_RNA) where: Base-Base interactions energy: -570.606 where: short stacking energy: -243.651 Base-Backbone interact. energy: 0.295 local terms energy: -281.947628 where: bonds (distance) C4'-P energy: -56.616 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -53.830 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -62.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -722.452177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.452177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.452177 (E_RNA) where: Base-Base interactions energy: -454.832 where: short stacking energy: -230.148 Base-Backbone interact. energy: -0.892 local terms energy: -266.728753 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -51.609 flat angles C4'-P-C4' energy: -66.946 flat angles P-C4'-P energy: -34.186 tors. eta vs tors. theta energy: -59.926 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: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -668.509247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.509247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.509247 (E_RNA) where: Base-Base interactions energy: -426.873 where: short stacking energy: -206.247 Base-Backbone interact. energy: -0.502 local terms energy: -241.134482 where: bonds (distance) C4'-P energy: -45.103 bonds (distance) P-C4' energy: -60.449 flat angles C4'-P-C4' energy: -50.670 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -42.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -507.755568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.755568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.755568 (E_RNA) where: Base-Base interactions energy: -317.623 where: short stacking energy: -166.391 Base-Backbone interact. energy: 0.696 local terms energy: -190.829376 where: bonds (distance) C4'-P energy: -53.112 bonds (distance) P-C4' energy: -43.972 flat angles C4'-P-C4' energy: -49.211 flat angles P-C4'-P energy: -29.762 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -485.006091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.006091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.006091 (E_RNA) where: Base-Base interactions energy: -282.303 where: short stacking energy: -137.576 Base-Backbone interact. energy: 0.453 local terms energy: -203.155804 where: bonds (distance) C4'-P energy: -46.711 bonds (distance) P-C4' energy: -55.073 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -23.135 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -274.674408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.674408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.674408 (E_RNA) where: Base-Base interactions energy: -97.702 where: short stacking energy: -76.549 Base-Backbone interact. energy: -1.467 local terms energy: -175.504820 where: bonds (distance) C4'-P energy: -45.384 bonds (distance) P-C4' energy: -53.806 flat angles C4'-P-C4' energy: -48.667 flat angles P-C4'-P energy: -37.252 tors. eta vs tors. theta energy: 9.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1094.836585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.836585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.836585 (E_RNA) where: Base-Base interactions energy: -744.413 where: short stacking energy: -323.557 Base-Backbone interact. energy: -0.676 local terms energy: -349.748073 where: bonds (distance) C4'-P energy: -65.328 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -74.413 flat angles P-C4'-P energy: -51.514 tors. eta vs tors. theta energy: -88.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1075.433616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.433616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.433616 (E_RNA) where: Base-Base interactions energy: -748.377 where: short stacking energy: -312.651 Base-Backbone interact. energy: -2.696 local terms energy: -324.360853 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -91.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1027.791159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.791159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.791159 (E_RNA) where: Base-Base interactions energy: -700.516 where: short stacking energy: -295.963 Base-Backbone interact. energy: -0.400 local terms energy: -326.875076 where: bonds (distance) C4'-P energy: -68.335 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -63.016 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -82.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -952.160180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.160180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.160180 (E_RNA) where: Base-Base interactions energy: -630.622 where: short stacking energy: -270.216 Base-Backbone interact. energy: -2.249 local terms energy: -319.289649 where: bonds (distance) C4'-P energy: -50.777 bonds (distance) P-C4' energy: -71.583 flat angles C4'-P-C4' energy: -60.638 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -83.028 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: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -868.237252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.237252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.237252 (E_RNA) where: Base-Base interactions energy: -582.992 where: short stacking energy: -259.708 Base-Backbone interact. energy: -0.342 local terms energy: -284.903045 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -63.217 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -53.647 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: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -735.791384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.791384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.791384 (E_RNA) where: Base-Base interactions energy: -474.419 where: short stacking energy: -227.926 Base-Backbone interact. energy: -0.986 local terms energy: -260.385977 where: bonds (distance) C4'-P energy: -48.238 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -51.968 flat angles P-C4'-P energy: -42.461 tors. eta vs tors. theta energy: -54.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -667.420611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.420611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.420611 (E_RNA) where: Base-Base interactions energy: -432.909 where: short stacking energy: -196.342 Base-Backbone interact. energy: -2.204 local terms energy: -232.308321 where: bonds (distance) C4'-P energy: -62.285 bonds (distance) P-C4' energy: -48.533 flat angles C4'-P-C4' energy: -44.928 flat angles P-C4'-P energy: -35.333 tors. eta vs tors. theta energy: -41.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -512.044982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.044982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.044982 (E_RNA) where: Base-Base interactions energy: -319.910 where: short stacking energy: -153.763 Base-Backbone interact. energy: 0.011 local terms energy: -192.146422 where: bonds (distance) C4'-P energy: -41.723 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -49.926 flat angles P-C4'-P energy: -23.097 tors. eta vs tors. theta energy: -19.302 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: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -512.525371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.525371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.525371 (E_RNA) where: Base-Base interactions energy: -297.392 where: short stacking energy: -118.881 Base-Backbone interact. energy: 0.855 local terms energy: -215.987931 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -53.315 flat angles P-C4'-P energy: -37.863 tors. eta vs tors. theta energy: -13.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -272.254607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.254607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.254607 (E_RNA) where: Base-Base interactions energy: -99.013 where: short stacking energy: -77.760 Base-Backbone interact. energy: -1.934 local terms energy: -171.307536 where: bonds (distance) C4'-P energy: -54.210 bonds (distance) P-C4' energy: -53.387 flat angles C4'-P-C4' energy: -50.971 flat angles P-C4'-P energy: -23.880 tors. eta vs tors. theta energy: 11.141 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: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1098.970257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.970257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.970257 (E_RNA) where: Base-Base interactions energy: -759.029 where: short stacking energy: -319.318 Base-Backbone interact. energy: 4.287 local terms energy: -344.228254 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -74.912 flat angles P-C4'-P energy: -53.357 tors. eta vs tors. theta energy: -88.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1058.781518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.781518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.781518 (E_RNA) where: Base-Base interactions energy: -732.900 where: short stacking energy: -315.028 Base-Backbone interact. energy: -2.199 local terms energy: -323.682098 where: bonds (distance) C4'-P energy: -51.891 bonds (distance) P-C4' energy: -59.372 flat angles C4'-P-C4' energy: -69.366 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -95.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1037.257547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.257547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.257547 (E_RNA) where: Base-Base interactions energy: -692.677 where: short stacking energy: -309.231 Base-Backbone interact. energy: -1.989 local terms energy: -342.591718 where: bonds (distance) C4'-P energy: -72.015 bonds (distance) P-C4' energy: -70.040 flat angles C4'-P-C4' energy: -68.069 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -82.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -990.340056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.340056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.340056 (E_RNA) where: Base-Base interactions energy: -670.033 where: short stacking energy: -301.243 Base-Backbone interact. energy: -0.726 local terms energy: -319.580962 where: bonds (distance) C4'-P energy: -47.295 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -69.151 flat angles P-C4'-P energy: -51.319 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: 5, replica: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -871.242133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.242133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.242133 (E_RNA) where: Base-Base interactions energy: -588.150 where: short stacking energy: -245.617 Base-Backbone interact. energy: 0.826 local terms energy: -283.919103 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -58.081 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: -67.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -729.994135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.994135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.994135 (E_RNA) where: Base-Base interactions energy: -452.200 where: short stacking energy: -217.028 Base-Backbone interact. energy: -1.626 local terms energy: -276.167718 where: bonds (distance) C4'-P energy: -59.207 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -48.980 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -62.766 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: 220 Temperature: 1.200000 Total energy: -661.719497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.719497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.719497 (E_RNA) where: Base-Base interactions energy: -419.380 where: short stacking energy: -203.922 Base-Backbone interact. energy: -0.741 local terms energy: -241.598376 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -54.331 flat angles C4'-P-C4' energy: -52.120 flat angles P-C4'-P energy: -32.127 tors. eta vs tors. theta energy: -50.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -476.474216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.474216 (E_RNA) where: Base-Base interactions energy: -289.523 where: short stacking energy: -128.113 Base-Backbone interact. energy: 1.458 local terms energy: -188.409074 where: bonds (distance) C4'-P energy: -51.971 bonds (distance) P-C4' energy: -51.977 flat angles C4'-P-C4' energy: -55.205 flat angles P-C4'-P energy: -18.908 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -566.109928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.109928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.109928 (E_RNA) where: Base-Base interactions energy: -352.471 where: short stacking energy: -151.365 Base-Backbone interact. energy: -2.742 local terms energy: -210.896720 where: bonds (distance) C4'-P energy: -57.619 bonds (distance) P-C4' energy: -57.639 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -13.133 tors. eta vs tors. theta energy: -26.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -267.450803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.450803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.450803 (E_RNA) where: Base-Base interactions energy: -92.181 where: short stacking energy: -76.502 Base-Backbone interact. energy: -0.205 local terms energy: -175.065131 where: bonds (distance) C4'-P energy: -50.644 bonds (distance) P-C4' energy: -56.823 flat angles C4'-P-C4' energy: -55.849 flat angles P-C4'-P energy: -28.230 tors. eta vs tors. theta energy: 16.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1101.117305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.117305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.117305 (E_RNA) where: Base-Base interactions energy: -750.738 where: short stacking energy: -332.428 Base-Backbone interact. energy: -1.004 local terms energy: -349.375795 where: bonds (distance) C4'-P energy: -64.993 bonds (distance) P-C4' energy: -71.524 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -92.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1051.439473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.439473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.439473 (E_RNA) where: Base-Base interactions energy: -723.308 where: short stacking energy: -314.446 Base-Backbone interact. energy: 0.194 local terms energy: -328.325377 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -93.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1037.739842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.739842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.739842 (E_RNA) where: Base-Base interactions energy: -698.345 where: short stacking energy: -305.525 Base-Backbone interact. energy: -1.483 local terms energy: -337.912497 where: bonds (distance) C4'-P energy: -65.566 bonds (distance) P-C4' energy: -66.776 flat angles C4'-P-C4' energy: -75.392 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -88.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -959.692230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.692230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.692230 (E_RNA) where: Base-Base interactions energy: -662.090 where: short stacking energy: -299.251 Base-Backbone interact. energy: 2.808 local terms energy: -300.410374 where: bonds (distance) C4'-P energy: -52.383 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -69.394 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: -84.128 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: 221 Temperature: 1.100000 Total energy: -865.457655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.457655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.457655 (E_RNA) where: Base-Base interactions energy: -591.987 where: short stacking energy: -242.344 Base-Backbone interact. energy: -1.122 local terms energy: -272.349275 where: bonds (distance) C4'-P energy: -50.652 bonds (distance) P-C4' energy: -57.800 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -40.081 tors. eta vs tors. theta energy: -57.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -738.855728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.855728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.855728 (E_RNA) where: Base-Base interactions energy: -475.965 where: short stacking energy: -221.056 Base-Backbone interact. energy: -1.730 local terms energy: -261.160354 where: bonds (distance) C4'-P energy: -56.064 bonds (distance) P-C4' energy: -54.688 flat angles C4'-P-C4' energy: -62.940 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -52.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -633.126873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.126873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.126873 (E_RNA) where: Base-Base interactions energy: -398.242 where: short stacking energy: -167.923 Base-Backbone interact. energy: -1.207 local terms energy: -233.677410 where: bonds (distance) C4'-P energy: -53.096 bonds (distance) P-C4' energy: -52.292 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -31.737 tors. eta vs tors. theta energy: -31.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -599.775832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.775832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.775832 (E_RNA) where: Base-Base interactions energy: -358.348 where: short stacking energy: -164.820 Base-Backbone interact. energy: -0.572 local terms energy: -240.855667 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -59.532 flat angles C4'-P-C4' energy: -51.123 flat angles P-C4'-P energy: -37.843 tors. eta vs tors. theta energy: -25.186 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: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -431.517566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.517566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.517566 (E_RNA) where: Base-Base interactions energy: -239.648 where: short stacking energy: -124.591 Base-Backbone interact. energy: -1.338 local terms energy: -190.531374 where: bonds (distance) C4'-P energy: -53.619 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -39.905 flat angles P-C4'-P energy: -28.038 tors. eta vs tors. theta energy: -9.067 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: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -282.095135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.095135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.095135 (E_RNA) where: Base-Base interactions energy: -101.937 where: short stacking energy: -79.464 Base-Backbone interact. energy: -0.219 local terms energy: -179.939601 where: bonds (distance) C4'-P energy: -59.390 bonds (distance) P-C4' energy: -49.885 flat angles C4'-P-C4' energy: -48.730 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: 10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1102.617751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.617751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.617751 (E_RNA) where: Base-Base interactions energy: -759.896 where: short stacking energy: -324.851 Base-Backbone interact. energy: 2.310 local terms energy: -345.032109 where: bonds (distance) C4'-P energy: -65.937 bonds (distance) P-C4' energy: -68.126 flat angles C4'-P-C4' energy: -75.970 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -93.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1062.537086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.537086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.537086 (E_RNA) where: Base-Base interactions energy: -736.075 where: short stacking energy: -308.339 Base-Backbone interact. energy: -2.019 local terms energy: -324.443167 where: bonds (distance) C4'-P energy: -65.306 bonds (distance) P-C4' energy: -56.958 flat angles C4'-P-C4' energy: -72.751 flat angles P-C4'-P energy: -36.825 tors. eta vs tors. theta energy: -92.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1015.588491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.588491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.588491 (E_RNA) where: Base-Base interactions energy: -695.321 where: short stacking energy: -323.141 Base-Backbone interact. energy: 0.403 local terms energy: -320.670392 where: bonds (distance) C4'-P energy: -58.779 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -70.918 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: -92.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -897.763475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.763475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.763475 (E_RNA) where: Base-Base interactions energy: -587.649 where: short stacking energy: -262.127 Base-Backbone interact. energy: -0.893 local terms energy: -309.221243 where: bonds (distance) C4'-P energy: -68.378 bonds (distance) P-C4' energy: -54.729 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -43.213 tors. eta vs tors. theta energy: -72.749 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: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -854.054570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.054570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.054570 (E_RNA) where: Base-Base interactions energy: -574.048 where: short stacking energy: -233.950 Base-Backbone interact. energy: -1.482 local terms energy: -278.524651 where: bonds (distance) C4'-P energy: -60.283 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -59.145 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -61.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -779.269903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.269903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.269903 (E_RNA) where: Base-Base interactions energy: -497.947 where: short stacking energy: -238.938 Base-Backbone interact. energy: 0.008 local terms energy: -281.330545 where: bonds (distance) C4'-P energy: -55.352 bonds (distance) P-C4' energy: -56.384 flat angles C4'-P-C4' energy: -62.501 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -61.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -702.174379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.174379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.174379 (E_RNA) where: Base-Base interactions energy: -448.927 where: short stacking energy: -196.875 Base-Backbone interact. energy: 0.580 local terms energy: -253.827206 where: bonds (distance) C4'-P energy: -61.447 bonds (distance) P-C4' energy: -55.948 flat angles C4'-P-C4' energy: -51.415 flat angles P-C4'-P energy: -45.226 tors. eta vs tors. theta energy: -39.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -620.894950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.894950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.894950 (E_RNA) where: Base-Base interactions energy: -388.481 where: short stacking energy: -184.236 Base-Backbone interact. energy: -0.037 local terms energy: -232.377139 where: bonds (distance) C4'-P energy: -47.578 bonds (distance) P-C4' energy: -57.303 flat angles C4'-P-C4' energy: -57.081 flat angles P-C4'-P energy: -39.647 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: 9, replica: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -406.541043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.541043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.541043 (E_RNA) where: Base-Base interactions energy: -195.461 where: short stacking energy: -110.024 Base-Backbone interact. energy: -1.569 local terms energy: -209.511266 where: bonds (distance) C4'-P energy: -50.135 bonds (distance) P-C4' energy: -59.205 flat angles C4'-P-C4' energy: -54.497 flat angles P-C4'-P energy: -33.079 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: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -292.975372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.975372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.975372 (E_RNA) where: Base-Base interactions energy: -117.164 where: short stacking energy: -101.876 Base-Backbone interact. energy: -1.430 local terms energy: -174.381926 where: bonds (distance) C4'-P energy: -55.965 bonds (distance) P-C4' energy: -43.734 flat angles C4'-P-C4' energy: -50.980 flat angles P-C4'-P energy: -24.683 tors. eta vs tors. theta energy: 0.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1106.090837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.090837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.090837 (E_RNA) where: Base-Base interactions energy: -760.606 where: short stacking energy: -310.920 Base-Backbone interact. energy: -1.356 local terms energy: -344.128773 where: bonds (distance) C4'-P energy: -65.765 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -75.114 flat angles P-C4'-P energy: -48.819 tors. eta vs tors. theta energy: -91.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1059.410377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.410377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.410377 (E_RNA) where: Base-Base interactions energy: -701.569 where: short stacking energy: -312.436 Base-Backbone interact. energy: -3.156 local terms energy: -354.684856 where: bonds (distance) C4'-P energy: -68.300 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -73.566 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -97.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1037.129350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.129350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.129350 (E_RNA) where: Base-Base interactions energy: -694.821 where: short stacking energy: -289.714 Base-Backbone interact. energy: -1.652 local terms energy: -340.656333 where: bonds (distance) C4'-P energy: -66.206 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -71.677 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -96.727 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: 223 Temperature: 1.050000 Total energy: -883.549994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.549994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.549994 (E_RNA) where: Base-Base interactions energy: -593.929 where: short stacking energy: -256.602 Base-Backbone interact. energy: -0.295 local terms energy: -289.325766 where: bonds (distance) C4'-P energy: -60.445 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -69.672 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -63.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -906.444728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.444728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.444728 (E_RNA) where: Base-Base interactions energy: -602.391 where: short stacking energy: -267.957 Base-Backbone interact. energy: -0.506 local terms energy: -303.547237 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -63.967 flat angles C4'-P-C4' energy: -65.453 flat angles P-C4'-P energy: -45.979 tors. eta vs tors. theta energy: -72.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -783.192255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.192255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.192255 (E_RNA) where: Base-Base interactions energy: -521.129 where: short stacking energy: -239.209 Base-Backbone interact. energy: 6.661 local terms energy: -268.724710 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -61.792 flat angles C4'-P-C4' energy: -56.740 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: -61.489 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: 223 Temperature: 1.200000 Total energy: -696.108005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.108005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.108005 (E_RNA) where: Base-Base interactions energy: -455.661 where: short stacking energy: -200.016 Base-Backbone interact. energy: -1.290 local terms energy: -239.157193 where: bonds (distance) C4'-P energy: -49.036 bonds (distance) P-C4' energy: -49.389 flat angles C4'-P-C4' energy: -56.640 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -40.913 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: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -601.973623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.973623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.973623 (E_RNA) where: Base-Base interactions energy: -379.827 where: short stacking energy: -193.528 Base-Backbone interact. energy: -1.893 local terms energy: -220.253769 where: bonds (distance) C4'-P energy: -46.254 bonds (distance) P-C4' energy: -56.551 flat angles C4'-P-C4' energy: -47.567 flat angles P-C4'-P energy: -38.337 tors. eta vs tors. theta energy: -31.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -382.687814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.687814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.687814 (E_RNA) where: Base-Base interactions energy: -191.534 where: short stacking energy: -112.381 Base-Backbone interact. energy: 2.251 local terms energy: -193.404943 where: bonds (distance) C4'-P energy: -53.923 bonds (distance) P-C4' energy: -57.154 flat angles C4'-P-C4' energy: -40.245 flat angles P-C4'-P energy: -35.757 tors. eta vs tors. theta energy: -6.326 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: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -266.921318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.921318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.921318 (E_RNA) where: Base-Base interactions energy: -83.484 where: short stacking energy: -79.066 Base-Backbone interact. energy: -1.248 local terms energy: -182.188726 where: bonds (distance) C4'-P energy: -51.524 bonds (distance) P-C4' energy: -47.616 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -32.379 tors. eta vs tors. theta energy: 13.281 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: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1105.396086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.396086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.396086 (E_RNA) where: Base-Base interactions energy: -774.117 where: short stacking energy: -311.486 Base-Backbone interact. energy: 1.636 local terms energy: -332.915460 where: bonds (distance) C4'-P energy: -62.719 bonds (distance) P-C4' energy: -73.086 flat angles C4'-P-C4' energy: -68.428 flat angles P-C4'-P energy: -38.666 tors. eta vs tors. theta energy: -90.016 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: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1051.041752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.041752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.041752 (E_RNA) where: Base-Base interactions energy: -715.329 where: short stacking energy: -301.299 Base-Backbone interact. energy: -0.278 local terms energy: -335.434406 where: bonds (distance) C4'-P energy: -64.223 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -71.888 flat angles P-C4'-P energy: -43.325 tors. eta vs tors. theta energy: -93.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1039.363495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.363495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.363495 (E_RNA) where: Base-Base interactions energy: -716.326 where: short stacking energy: -314.219 Base-Backbone interact. energy: -1.700 local terms energy: -321.337654 where: bonds (distance) C4'-P energy: -46.928 bonds (distance) P-C4' energy: -61.487 flat angles C4'-P-C4' energy: -79.390 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: -91.538 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: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -889.736869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.736869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.736869 (E_RNA) where: Base-Base interactions energy: -601.041 where: short stacking energy: -236.041 Base-Backbone interact. energy: -1.558 local terms energy: -287.138437 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -60.143 flat angles P-C4'-P energy: -42.402 tors. eta vs tors. theta energy: -65.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -901.266386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.266386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.266386 (E_RNA) where: Base-Base interactions energy: -594.600 where: short stacking energy: -249.661 Base-Backbone interact. energy: 1.208 local terms energy: -307.874160 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -69.431 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -68.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -750.218144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.218144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.218144 (E_RNA) where: Base-Base interactions energy: -483.796 where: short stacking energy: -217.348 Base-Backbone interact. energy: -0.951 local terms energy: -265.470953 where: bonds (distance) C4'-P energy: -45.891 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -49.185 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: -63.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -674.661599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.661599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.661599 (E_RNA) where: Base-Base interactions energy: -401.557 where: short stacking energy: -175.661 Base-Backbone interact. energy: -3.147 local terms energy: -269.957603 where: bonds (distance) C4'-P energy: -57.294 bonds (distance) P-C4' energy: -65.421 flat angles C4'-P-C4' energy: -58.291 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -37.022 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: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -617.616154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.616154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.616154 (E_RNA) where: Base-Base interactions energy: -393.523 where: short stacking energy: -183.052 Base-Backbone interact. energy: 0.466 local terms energy: -224.559178 where: bonds (distance) C4'-P energy: -42.279 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -53.384 flat angles P-C4'-P energy: -35.751 tors. eta vs tors. theta energy: -31.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -352.240844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.240844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.240844 (E_RNA) where: Base-Base interactions energy: -170.381 where: short stacking energy: -101.558 Base-Backbone interact. energy: -0.148 local terms energy: -181.711243 where: bonds (distance) C4'-P energy: -39.364 bonds (distance) P-C4' energy: -60.101 flat angles C4'-P-C4' energy: -56.792 flat angles P-C4'-P energy: -17.977 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -257.631896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.631896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.631896 (E_RNA) where: Base-Base interactions energy: -70.790 where: short stacking energy: -65.709 Base-Backbone interact. energy: -0.246 local terms energy: -186.596207 where: bonds (distance) C4'-P energy: -63.777 bonds (distance) P-C4' energy: -52.038 flat angles C4'-P-C4' energy: -53.408 flat angles P-C4'-P energy: -22.309 tors. eta vs tors. theta energy: 4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1105.073768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.073768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.073768 (E_RNA) where: Base-Base interactions energy: -774.083 where: short stacking energy: -310.915 Base-Backbone interact. energy: -1.614 local terms energy: -329.377140 where: bonds (distance) C4'-P energy: -62.611 bonds (distance) P-C4' energy: -52.833 flat angles C4'-P-C4' energy: -77.608 flat angles P-C4'-P energy: -48.211 tors. eta vs tors. theta energy: -88.115 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: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1048.893725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.893725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.893725 (E_RNA) where: Base-Base interactions energy: -711.331 where: short stacking energy: -322.232 Base-Backbone interact. energy: -0.647 local terms energy: -336.915314 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -63.585 flat angles C4'-P-C4' energy: -74.328 flat angles P-C4'-P energy: -49.861 tors. eta vs tors. theta energy: -90.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1036.683332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.683332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.683332 (E_RNA) where: Base-Base interactions energy: -712.800 where: short stacking energy: -288.227 Base-Backbone interact. energy: -3.776 local terms energy: -320.107279 where: bonds (distance) C4'-P energy: -47.933 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -68.834 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -96.698 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: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -895.709031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.709031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.709031 (E_RNA) where: Base-Base interactions energy: -584.045 where: short stacking energy: -249.752 Base-Backbone interact. energy: 0.912 local terms energy: -312.575833 where: bonds (distance) C4'-P energy: -68.287 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -65.300 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -65.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -901.098370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.098370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.098370 (E_RNA) where: Base-Base interactions energy: -591.436 where: short stacking energy: -267.654 Base-Backbone interact. energy: -0.002 local terms energy: -309.659912 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -67.546 flat angles C4'-P-C4' energy: -65.271 flat angles P-C4'-P energy: -41.138 tors. eta vs tors. theta energy: -72.551 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: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -799.820575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.820575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.820575 (E_RNA) where: Base-Base interactions energy: -522.089 where: short stacking energy: -236.439 Base-Backbone interact. energy: 1.017 local terms energy: -278.748492 where: bonds (distance) C4'-P energy: -49.836 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -51.439 flat angles P-C4'-P energy: -44.225 tors. eta vs tors. theta energy: -63.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -665.972908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.972908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.972908 (E_RNA) where: Base-Base interactions energy: -412.153 where: short stacking energy: -185.255 Base-Backbone interact. energy: -4.058 local terms energy: -249.762062 where: bonds (distance) C4'-P energy: -58.498 bonds (distance) P-C4' energy: -56.544 flat angles C4'-P-C4' energy: -54.594 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -38.785 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: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -584.720353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.720353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.720353 (E_RNA) where: Base-Base interactions energy: -359.790 where: short stacking energy: -162.856 Base-Backbone interact. energy: -1.366 local terms energy: -223.565123 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -57.744 flat angles C4'-P-C4' energy: -60.886 flat angles P-C4'-P energy: -26.481 tors. eta vs tors. theta energy: -26.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -361.587904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.587904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.587904 (E_RNA) where: Base-Base interactions energy: -179.043 where: short stacking energy: -120.188 Base-Backbone interact. energy: -1.211 local terms energy: -181.334177 where: bonds (distance) C4'-P energy: -52.619 bonds (distance) P-C4' energy: -46.014 flat angles C4'-P-C4' energy: -45.622 flat angles P-C4'-P energy: -28.736 tors. eta vs tors. theta energy: -8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -260.131345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.131345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.131345 (E_RNA) where: Base-Base interactions energy: -92.399 where: short stacking energy: -78.774 Base-Backbone interact. energy: 0.535 local terms energy: -168.267741 where: bonds (distance) C4'-P energy: -44.040 bonds (distance) P-C4' energy: -60.971 flat angles C4'-P-C4' energy: -40.283 flat angles P-C4'-P energy: -27.444 tors. eta vs tors. theta energy: 4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1115.539754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.539754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.539754 (E_RNA) where: Base-Base interactions energy: -766.220 where: short stacking energy: -306.624 Base-Backbone interact. energy: -1.332 local terms energy: -347.987409 where: bonds (distance) C4'-P energy: -57.250 bonds (distance) P-C4' energy: -68.521 flat angles C4'-P-C4' energy: -80.044 flat angles P-C4'-P energy: -48.809 tors. eta vs tors. theta energy: -93.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1044.113728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.113728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.113728 (E_RNA) where: Base-Base interactions energy: -700.545 where: short stacking energy: -308.227 Base-Backbone interact. energy: 0.090 local terms energy: -343.658672 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -60.473 flat angles C4'-P-C4' energy: -69.341 flat angles P-C4'-P energy: -56.103 tors. eta vs tors. theta energy: -93.616 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: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1049.426365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.426365 (E_RNA) where: Base-Base interactions energy: -704.238 where: short stacking energy: -293.656 Base-Backbone interact. energy: 0.521 local terms energy: -345.709882 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -69.860 flat angles C4'-P-C4' energy: -77.895 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -90.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -900.939308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.939308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.939308 (E_RNA) where: Base-Base interactions energy: -595.895 where: short stacking energy: -277.770 Base-Backbone interact. energy: -2.530 local terms energy: -302.514420 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -65.232 flat angles C4'-P-C4' energy: -58.673 flat angles P-C4'-P energy: -43.053 tors. eta vs tors. theta energy: -66.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -838.053145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.053145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.053145 (E_RNA) where: Base-Base interactions energy: -563.989 where: short stacking energy: -242.608 Base-Backbone interact. energy: 0.090 local terms energy: -274.154330 where: bonds (distance) C4'-P energy: -51.478 bonds (distance) P-C4' energy: -70.181 flat angles C4'-P-C4' energy: -60.048 flat angles P-C4'-P energy: -37.883 tors. eta vs tors. theta energy: -54.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -889.127062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.127062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.127062 (E_RNA) where: Base-Base interactions energy: -604.743 where: short stacking energy: -263.774 Base-Backbone interact. energy: -0.591 local terms energy: -283.792885 where: bonds (distance) C4'-P energy: -51.512 bonds (distance) P-C4' energy: -47.698 flat angles C4'-P-C4' energy: -65.941 flat angles P-C4'-P energy: -38.335 tors. eta vs tors. theta energy: -80.307 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: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -679.092466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.092466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.092466 (E_RNA) where: Base-Base interactions energy: -432.983 where: short stacking energy: -198.805 Base-Backbone interact. energy: 0.421 local terms energy: -246.530853 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -60.536 flat angles C4'-P-C4' energy: -62.185 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: -40.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -562.545086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.545086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.545086 (E_RNA) where: Base-Base interactions energy: -345.721 where: short stacking energy: -170.876 Base-Backbone interact. energy: 1.702 local terms energy: -218.526462 where: bonds (distance) C4'-P energy: -36.282 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -50.909 flat angles P-C4'-P energy: -31.128 tors. eta vs tors. theta energy: -34.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -279.076279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.076279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.076279 (E_RNA) where: Base-Base interactions energy: -99.829 where: short stacking energy: -84.162 Base-Backbone interact. energy: -0.405 local terms energy: -178.842255 where: bonds (distance) C4'-P energy: -53.616 bonds (distance) P-C4' energy: -55.115 flat angles C4'-P-C4' energy: -48.237 flat angles P-C4'-P energy: -22.728 tors. eta vs tors. theta energy: 0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -291.198903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.198903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.198903 (E_RNA) where: Base-Base interactions energy: -127.606 where: short stacking energy: -102.299 Base-Backbone interact. energy: -1.224 local terms energy: -162.368438 where: bonds (distance) C4'-P energy: -48.188 bonds (distance) P-C4' energy: -44.505 flat angles C4'-P-C4' energy: -47.458 flat angles P-C4'-P energy: -21.574 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1108.036549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.036549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.036549 (E_RNA) where: Base-Base interactions energy: -768.856 where: short stacking energy: -320.596 Base-Backbone interact. energy: -1.359 local terms energy: -337.821805 where: bonds (distance) C4'-P energy: -61.964 bonds (distance) P-C4' energy: -66.751 flat angles C4'-P-C4' energy: -74.042 flat angles P-C4'-P energy: -47.437 tors. eta vs tors. theta energy: -87.628 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: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1060.744451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.744451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.744451 (E_RNA) where: Base-Base interactions energy: -739.409 where: short stacking energy: -325.331 Base-Backbone interact. energy: 2.125 local terms energy: -323.459632 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -50.170 flat angles C4'-P-C4' energy: -73.380 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -91.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1031.945778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.945778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.945778 (E_RNA) where: Base-Base interactions energy: -698.499 where: short stacking energy: -306.435 Base-Backbone interact. energy: -0.911 local terms energy: -332.535601 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -65.023 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -46.808 tors. eta vs tors. theta energy: -94.121 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: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -931.386238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.386238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.386238 (E_RNA) where: Base-Base interactions energy: -615.202 where: short stacking energy: -287.797 Base-Backbone interact. energy: -1.162 local terms energy: -315.022733 where: bonds (distance) C4'-P energy: -63.068 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -38.344 tors. eta vs tors. theta energy: -78.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -855.179629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.179629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.179629 (E_RNA) where: Base-Base interactions energy: -563.015 where: short stacking energy: -229.593 Base-Backbone interact. energy: -0.480 local terms energy: -291.684676 where: bonds (distance) C4'-P energy: -50.957 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -67.677 flat angles P-C4'-P energy: -43.691 tors. eta vs tors. theta energy: -68.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -925.240400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.240400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.240400 (E_RNA) where: Base-Base interactions energy: -624.588 where: short stacking energy: -303.674 Base-Backbone interact. energy: 0.604 local terms energy: -301.256892 where: bonds (distance) C4'-P energy: -47.174 bonds (distance) P-C4' energy: -60.190 flat angles C4'-P-C4' energy: -65.989 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -78.862 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: 7, replica: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -704.902742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.902742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.902742 (E_RNA) where: Base-Base interactions energy: -452.169 where: short stacking energy: -210.645 Base-Backbone interact. energy: 0.000 local terms energy: -252.733878 where: bonds (distance) C4'-P energy: -49.663 bonds (distance) P-C4' energy: -58.604 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -41.892 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: 8, replica: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -571.152514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.152514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.152514 (E_RNA) where: Base-Base interactions energy: -343.158 where: short stacking energy: -179.346 Base-Backbone interact. energy: 0.556 local terms energy: -228.549835 where: bonds (distance) C4'-P energy: -53.221 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -53.180 flat angles P-C4'-P energy: -26.418 tors. eta vs tors. theta energy: -35.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -308.585757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.585757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.585757 (E_RNA) where: Base-Base interactions energy: -112.919 where: short stacking energy: -99.942 Base-Backbone interact. energy: -1.533 local terms energy: -194.133314 where: bonds (distance) C4'-P energy: -51.261 bonds (distance) P-C4' energy: -63.777 flat angles C4'-P-C4' energy: -58.107 flat angles P-C4'-P energy: -29.795 tors. eta vs tors. theta energy: 8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -281.655602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.655602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.655602 (E_RNA) where: Base-Base interactions energy: -92.128 where: short stacking energy: -71.552 Base-Backbone interact. energy: 0.480 local terms energy: -190.008212 where: bonds (distance) C4'-P energy: -55.264 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -47.771 flat angles P-C4'-P energy: -24.169 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1114.186165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.186165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.186165 (E_RNA) where: Base-Base interactions energy: -771.378 where: short stacking energy: -307.667 Base-Backbone interact. energy: 0.070 local terms energy: -342.877453 where: bonds (distance) C4'-P energy: -64.691 bonds (distance) P-C4' energy: -68.792 flat angles C4'-P-C4' energy: -70.854 flat angles P-C4'-P energy: -51.193 tors. eta vs tors. theta energy: -87.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1057.906991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.906991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.906991 (E_RNA) where: Base-Base interactions energy: -720.432 where: short stacking energy: -309.202 Base-Backbone interact. energy: -1.504 local terms energy: -335.970788 where: bonds (distance) C4'-P energy: -63.790 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -95.978 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: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1030.131971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.131971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.131971 (E_RNA) where: Base-Base interactions energy: -704.870 where: short stacking energy: -319.475 Base-Backbone interact. energy: -0.287 local terms energy: -324.974236 where: bonds (distance) C4'-P energy: -55.075 bonds (distance) P-C4' energy: -54.663 flat angles C4'-P-C4' energy: -70.282 flat angles P-C4'-P energy: -44.072 tors. eta vs tors. theta energy: -100.882 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: 228 Temperature: 1.050000 Total energy: -963.741622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.741622 (E_RNA) where: Base-Base interactions energy: -639.087 where: short stacking energy: -277.733 Base-Backbone interact. energy: 1.934 local terms energy: -326.588885 where: bonds (distance) C4'-P energy: -64.802 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -67.008 flat angles P-C4'-P energy: -42.373 tors. eta vs tors. theta energy: -82.121 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: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -926.162542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.162542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.162542 (E_RNA) where: Base-Base interactions energy: -636.807 where: short stacking energy: -279.388 Base-Backbone interact. energy: -0.194 local terms energy: -289.161445 where: bonds (distance) C4'-P energy: -62.510 bonds (distance) P-C4' energy: -50.118 flat angles C4'-P-C4' energy: -49.781 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -78.336 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: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -817.606615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.606615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.606615 (E_RNA) where: Base-Base interactions energy: -536.657 where: short stacking energy: -235.894 Base-Backbone interact. energy: -1.321 local terms energy: -279.628142 where: bonds (distance) C4'-P energy: -65.435 bonds (distance) P-C4' energy: -54.420 flat angles C4'-P-C4' energy: -63.179 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -52.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -633.256549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.256549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.256549 (E_RNA) where: Base-Base interactions energy: -371.860 where: short stacking energy: -171.515 Base-Backbone interact. energy: -2.048 local terms energy: -259.348665 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -55.280 flat angles C4'-P-C4' energy: -69.879 flat angles P-C4'-P energy: -37.169 tors. eta vs tors. theta energy: -33.504 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: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -642.762174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.762174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.762174 (E_RNA) where: Base-Base interactions energy: -413.289 where: short stacking energy: -194.173 Base-Backbone interact. energy: -0.606 local terms energy: -228.866578 where: bonds (distance) C4'-P energy: -51.788 bonds (distance) P-C4' energy: -63.875 flat angles C4'-P-C4' energy: -50.388 flat angles P-C4'-P energy: -33.068 tors. eta vs tors. theta energy: -29.748 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: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -301.556099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.556099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.556099 (E_RNA) where: Base-Base interactions energy: -126.105 where: short stacking energy: -104.310 Base-Backbone interact. energy: 0.988 local terms energy: -176.439098 where: bonds (distance) C4'-P energy: -43.912 bonds (distance) P-C4' energy: -40.204 flat angles C4'-P-C4' energy: -51.167 flat angles P-C4'-P energy: -31.685 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -275.708349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.708349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.708349 (E_RNA) where: Base-Base interactions energy: -96.608 where: short stacking energy: -74.133 Base-Backbone interact. energy: 4.178 local terms energy: -183.278257 where: bonds (distance) C4'-P energy: -49.692 bonds (distance) P-C4' energy: -52.619 flat angles C4'-P-C4' energy: -51.076 flat angles P-C4'-P energy: -27.270 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1110.694559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.694559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.694559 (E_RNA) where: Base-Base interactions energy: -762.870 where: short stacking energy: -319.253 Base-Backbone interact. energy: 0.937 local terms energy: -348.761518 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -69.967 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: -84.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1076.664756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.664756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.664756 (E_RNA) where: Base-Base interactions energy: -720.073 where: short stacking energy: -324.418 Base-Backbone interact. energy: -0.529 local terms energy: -356.062587 where: bonds (distance) C4'-P energy: -62.952 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -71.931 flat angles P-C4'-P energy: -47.216 tors. eta vs tors. theta energy: -104.043 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: 3, replica: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1034.477973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.477973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.477973 (E_RNA) where: Base-Base interactions energy: -700.535 where: short stacking energy: -293.122 Base-Backbone interact. energy: -1.424 local terms energy: -332.518585 where: bonds (distance) C4'-P energy: -60.810 bonds (distance) P-C4' energy: -66.918 flat angles C4'-P-C4' energy: -72.976 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -87.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -917.449260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.449260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.449260 (E_RNA) where: Base-Base interactions energy: -617.145 where: short stacking energy: -262.443 Base-Backbone interact. energy: -0.144 local terms energy: -300.159714 where: bonds (distance) C4'-P energy: -49.919 bonds (distance) P-C4' energy: -65.959 flat angles C4'-P-C4' energy: -64.314 flat angles P-C4'-P energy: -47.911 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: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -947.213298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.213298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.213298 (E_RNA) where: Base-Base interactions energy: -648.949 where: short stacking energy: -262.527 Base-Backbone interact. energy: -1.080 local terms energy: -297.184677 where: bonds (distance) C4'-P energy: -53.738 bonds (distance) P-C4' energy: -55.552 flat angles C4'-P-C4' energy: -67.372 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -73.949 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: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -785.140707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.140707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.140707 (E_RNA) where: Base-Base interactions energy: -501.001 where: short stacking energy: -230.279 Base-Backbone interact. energy: 3.450 local terms energy: -287.589776 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -63.782 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -41.164 tors. eta vs tors. theta energy: -60.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -606.951436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.951436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.951436 (E_RNA) where: Base-Base interactions energy: -362.824 where: short stacking energy: -181.707 Base-Backbone interact. energy: 3.196 local terms energy: -247.323682 where: bonds (distance) C4'-P energy: -50.357 bonds (distance) P-C4' energy: -69.766 flat angles C4'-P-C4' energy: -61.165 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -32.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -665.817025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.817025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.817025 (E_RNA) where: Base-Base interactions energy: -405.521 where: short stacking energy: -183.519 Base-Backbone interact. energy: -3.399 local terms energy: -256.897234 where: bonds (distance) C4'-P energy: -52.861 bonds (distance) P-C4' energy: -63.811 flat angles C4'-P-C4' energy: -62.039 flat angles P-C4'-P energy: -28.811 tors. eta vs tors. theta energy: -49.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -281.524165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.524165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.524165 (E_RNA) where: Base-Base interactions energy: -93.551 where: short stacking energy: -77.784 Base-Backbone interact. energy: 1.229 local terms energy: -189.202276 where: bonds (distance) C4'-P energy: -56.527 bonds (distance) P-C4' energy: -53.021 flat angles C4'-P-C4' energy: -49.721 flat angles P-C4'-P energy: -27.553 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -268.020156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.020156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.020156 (E_RNA) where: Base-Base interactions energy: -83.212 where: short stacking energy: -76.965 Base-Backbone interact. energy: -0.644 local terms energy: -184.164184 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -33.228 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: 5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1115.640209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.640209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.640209 (E_RNA) where: Base-Base interactions energy: -780.460 where: short stacking energy: -312.178 Base-Backbone interact. energy: -2.141 local terms energy: -333.039569 where: bonds (distance) C4'-P energy: -61.131 bonds (distance) P-C4' energy: -62.491 flat angles C4'-P-C4' energy: -68.627 flat angles P-C4'-P energy: -50.218 tors. eta vs tors. theta energy: -90.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1071.067005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.067005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.067005 (E_RNA) where: Base-Base interactions energy: -718.677 where: short stacking energy: -322.714 Base-Backbone interact. energy: -0.492 local terms energy: -351.897952 where: bonds (distance) C4'-P energy: -51.612 bonds (distance) P-C4' energy: -76.062 flat angles C4'-P-C4' energy: -74.332 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -97.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1010.956342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.956342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.956342 (E_RNA) where: Base-Base interactions energy: -678.448 where: short stacking energy: -286.069 Base-Backbone interact. energy: -3.024 local terms energy: -329.484182 where: bonds (distance) C4'-P energy: -63.868 bonds (distance) P-C4' energy: -69.389 flat angles C4'-P-C4' energy: -67.244 flat angles P-C4'-P energy: -44.829 tors. eta vs tors. theta energy: -84.155 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -949.519689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.519689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.519689 (E_RNA) where: Base-Base interactions energy: -644.073 where: short stacking energy: -285.228 Base-Backbone interact. energy: -1.910 local terms energy: -303.537116 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -56.581 flat angles C4'-P-C4' energy: -70.631 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: -73.911 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: 6 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -966.716778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.716778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.716778 (E_RNA) where: Base-Base interactions energy: -659.456 where: short stacking energy: -293.115 Base-Backbone interact. energy: -0.417 local terms energy: -306.844320 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -67.190 flat angles P-C4'-P energy: -35.132 tors. eta vs tors. theta energy: -87.679 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: 6, replica: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -793.732577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.732577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.732577 (E_RNA) where: Base-Base interactions energy: -511.944 where: short stacking energy: -249.537 Base-Backbone interact. energy: -2.315 local terms energy: -279.474288 where: bonds (distance) C4'-P energy: -52.116 bonds (distance) P-C4' energy: -51.145 flat angles C4'-P-C4' energy: -60.366 flat angles P-C4'-P energy: -47.996 tors. eta vs tors. theta energy: -67.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -663.842938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.842938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.842938 (E_RNA) where: Base-Base interactions energy: -407.176 where: short stacking energy: -184.543 Base-Backbone interact. energy: 2.914 local terms energy: -259.580957 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -56.113 flat angles C4'-P-C4' energy: -56.655 flat angles P-C4'-P energy: -51.281 tors. eta vs tors. theta energy: -37.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -548.886692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.886692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.886692 (E_RNA) where: Base-Base interactions energy: -345.920 where: short stacking energy: -169.253 Base-Backbone interact. energy: 5.359 local terms energy: -208.326199 where: bonds (distance) C4'-P energy: -43.885 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -47.593 flat angles P-C4'-P energy: -25.258 tors. eta vs tors. theta energy: -33.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -312.680511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.680511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.680511 (E_RNA) where: Base-Base interactions energy: -136.598 where: short stacking energy: -83.328 Base-Backbone interact. energy: 2.885 local terms energy: -178.967925 where: bonds (distance) C4'-P energy: -54.492 bonds (distance) P-C4' energy: -50.405 flat angles C4'-P-C4' energy: -53.968 flat angles P-C4'-P energy: -26.069 tors. eta vs tors. theta energy: 5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -266.114946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.114946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.114946 (E_RNA) where: Base-Base interactions energy: -88.871 where: short stacking energy: -84.030 Base-Backbone interact. energy: -0.399 local terms energy: -176.845441 where: bonds (distance) C4'-P energy: -52.129 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -43.663 flat angles P-C4'-P energy: -19.574 tors. eta vs tors. theta energy: 3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1120.962778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.962778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.962778 (E_RNA) where: Base-Base interactions energy: -775.698 where: short stacking energy: -314.917 Base-Backbone interact. energy: -1.711 local terms energy: -343.553759 where: bonds (distance) C4'-P energy: -67.392 bonds (distance) P-C4' energy: -56.454 flat angles C4'-P-C4' energy: -74.248 flat angles P-C4'-P energy: -52.844 tors. eta vs tors. theta energy: -92.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1058.633704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.633704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.633704 (E_RNA) where: Base-Base interactions energy: -716.176 where: short stacking energy: -321.859 Base-Backbone interact. energy: -1.995 local terms energy: -340.462183 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -65.558 flat angles C4'-P-C4' energy: -67.778 flat angles P-C4'-P energy: -48.527 tors. eta vs tors. theta energy: -97.142 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1039.436547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.436547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.436547 (E_RNA) where: Base-Base interactions energy: -698.851 where: short stacking energy: -311.045 Base-Backbone interact. energy: -0.490 local terms energy: -340.095271 where: bonds (distance) C4'-P energy: -55.232 bonds (distance) P-C4' energy: -58.670 flat angles C4'-P-C4' energy: -76.457 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -106.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -934.739783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.739783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.739783 (E_RNA) where: Base-Base interactions energy: -628.298 where: short stacking energy: -287.515 Base-Backbone interact. energy: 1.236 local terms energy: -307.677737 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -66.786 flat angles C4'-P-C4' energy: -61.581 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -79.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -929.277049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.277049 (E_RNA) where: Base-Base interactions energy: -621.143 where: short stacking energy: -271.737 Base-Backbone interact. energy: -1.394 local terms energy: -306.740413 where: bonds (distance) C4'-P energy: -52.162 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -71.355 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -70.925 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: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -799.700655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.700655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.700655 (E_RNA) where: Base-Base interactions energy: -527.956 where: short stacking energy: -236.541 Base-Backbone interact. energy: 0.561 local terms energy: -272.305522 where: bonds (distance) C4'-P energy: -60.652 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -61.495 flat angles P-C4'-P energy: -40.048 tors. eta vs tors. theta energy: -54.299 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: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -699.576332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.576332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.576332 (E_RNA) where: Base-Base interactions energy: -461.287 where: short stacking energy: -197.012 Base-Backbone interact. energy: 0.925 local terms energy: -239.214681 where: bonds (distance) C4'-P energy: -60.959 bonds (distance) P-C4' energy: -49.807 flat angles C4'-P-C4' energy: -53.399 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -37.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -551.876570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.876570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.876570 (E_RNA) where: Base-Base interactions energy: -330.951 where: short stacking energy: -192.986 Base-Backbone interact. energy: -0.541 local terms energy: -220.384188 where: bonds (distance) C4'-P energy: -45.397 bonds (distance) P-C4' energy: -62.156 flat angles C4'-P-C4' energy: -55.034 flat angles P-C4'-P energy: -17.256 tors. eta vs tors. theta energy: -40.541 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: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -299.737489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.737489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.737489 (E_RNA) where: Base-Base interactions energy: -127.297 where: short stacking energy: -82.146 Base-Backbone interact. energy: -1.487 local terms energy: -170.953573 where: bonds (distance) C4'-P energy: -57.512 bonds (distance) P-C4' energy: -55.076 flat angles C4'-P-C4' energy: -37.227 flat angles P-C4'-P energy: -28.164 tors. eta vs tors. theta energy: 7.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -287.036139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.036139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.036139 (E_RNA) where: Base-Base interactions energy: -119.245 where: short stacking energy: -87.945 Base-Backbone interact. energy: 0.149 local terms energy: -167.939658 where: bonds (distance) C4'-P energy: -46.158 bonds (distance) P-C4' energy: -57.127 flat angles C4'-P-C4' energy: -42.505 flat angles P-C4'-P energy: -23.235 tors. eta vs tors. theta energy: 1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1126.302819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.302819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.302819 (E_RNA) where: Base-Base interactions energy: -780.377 where: short stacking energy: -319.704 Base-Backbone interact. energy: -3.002 local terms energy: -342.923561 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -68.787 flat angles P-C4'-P energy: -47.391 tors. eta vs tors. theta energy: -89.084 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: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1051.820110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.820110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.820110 (E_RNA) where: Base-Base interactions energy: -707.907 where: short stacking energy: -306.373 Base-Backbone interact. energy: -1.754 local terms energy: -342.159123 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -66.404 flat angles P-C4'-P energy: -53.101 tors. eta vs tors. theta energy: -93.840 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1020.949673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.949673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.949673 (E_RNA) where: Base-Base interactions energy: -685.110 where: short stacking energy: -307.291 Base-Backbone interact. energy: 2.759 local terms energy: -338.598435 where: bonds (distance) C4'-P energy: -65.005 bonds (distance) P-C4' energy: -58.034 flat angles C4'-P-C4' energy: -72.996 flat angles P-C4'-P energy: -42.979 tors. eta vs tors. theta energy: -99.584 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: 232 Temperature: 1.050000 Total energy: -986.912948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.912948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.912948 (E_RNA) where: Base-Base interactions energy: -676.472 where: short stacking energy: -302.988 Base-Backbone interact. energy: 3.975 local terms energy: -314.415676 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -63.504 flat angles C4'-P-C4' energy: -61.176 flat angles P-C4'-P energy: -44.610 tors. eta vs tors. theta energy: -85.705 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: 8 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -909.529052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.529052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.529052 (E_RNA) where: Base-Base interactions energy: -614.692 where: short stacking energy: -277.370 Base-Backbone interact. energy: 0.003 local terms energy: -294.840847 where: bonds (distance) C4'-P energy: -51.039 bonds (distance) P-C4' energy: -61.094 flat angles C4'-P-C4' energy: -70.415 flat angles P-C4'-P energy: -37.846 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: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -810.321207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.321207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.321207 (E_RNA) where: Base-Base interactions energy: -504.894 where: short stacking energy: -236.795 Base-Backbone interact. energy: -3.036 local terms energy: -302.391063 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -46.743 flat angles C4'-P-C4' energy: -76.110 flat angles P-C4'-P energy: -39.721 tors. eta vs tors. theta energy: -83.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -737.604237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.604237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.604237 (E_RNA) where: Base-Base interactions energy: -477.215 where: short stacking energy: -203.161 Base-Backbone interact. energy: 0.325 local terms energy: -260.714272 where: bonds (distance) C4'-P energy: -65.422 bonds (distance) P-C4' energy: -61.716 flat angles C4'-P-C4' energy: -63.803 flat angles P-C4'-P energy: -26.501 tors. eta vs tors. theta energy: -43.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -560.939926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.939926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.939926 (E_RNA) where: Base-Base interactions energy: -345.927 where: short stacking energy: -179.554 Base-Backbone interact. energy: -2.137 local terms energy: -212.875943 where: bonds (distance) C4'-P energy: -45.945 bonds (distance) P-C4' energy: -48.136 flat angles C4'-P-C4' energy: -48.620 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -27.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -280.344110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.344110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.344110 (E_RNA) where: Base-Base interactions energy: -90.178 where: short stacking energy: -80.812 Base-Backbone interact. energy: -0.685 local terms energy: -189.481327 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -66.417 flat angles C4'-P-C4' energy: -48.753 flat angles P-C4'-P energy: -24.456 tors. eta vs tors. theta energy: 5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -273.323120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.323120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.323120 (E_RNA) where: Base-Base interactions energy: -115.851 where: short stacking energy: -70.846 Base-Backbone interact. energy: 1.654 local terms energy: -159.125837 where: bonds (distance) C4'-P energy: -59.212 bonds (distance) P-C4' energy: -41.672 flat angles C4'-P-C4' energy: -41.262 flat angles P-C4'-P energy: -26.761 tors. eta vs tors. theta energy: 9.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1119.634533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.634533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.634533 (E_RNA) where: Base-Base interactions energy: -771.390 where: short stacking energy: -323.676 Base-Backbone interact. energy: -1.843 local terms energy: -346.402232 where: bonds (distance) C4'-P energy: -57.680 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -74.310 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -100.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1026.883281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.883281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.883281 (E_RNA) where: Base-Base interactions energy: -689.625 where: short stacking energy: -300.994 Base-Backbone interact. energy: 1.183 local terms energy: -338.441529 where: bonds (distance) C4'-P energy: -63.539 bonds (distance) P-C4' energy: -64.768 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -93.791 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: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1021.672175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.672175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.672175 (E_RNA) where: Base-Base interactions energy: -698.339 where: short stacking energy: -293.321 Base-Backbone interact. energy: -1.566 local terms energy: -321.767478 where: bonds (distance) C4'-P energy: -59.998 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -66.496 flat angles P-C4'-P energy: -43.149 tors. eta vs tors. theta energy: -91.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -972.598028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.598028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.598028 (E_RNA) where: Base-Base interactions energy: -691.054 where: short stacking energy: -286.941 Base-Backbone interact. energy: -0.667 local terms energy: -280.877351 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -50.860 flat angles C4'-P-C4' energy: -68.149 flat angles P-C4'-P energy: -37.355 tors. eta vs tors. theta energy: -67.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -894.317989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.317989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.317989 (E_RNA) where: Base-Base interactions energy: -590.682 where: short stacking energy: -248.162 Base-Backbone interact. energy: -0.364 local terms energy: -303.271650 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -55.271 flat angles C4'-P-C4' energy: -68.806 flat angles P-C4'-P energy: -46.039 tors. eta vs tors. theta energy: -71.886 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: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -772.864521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.864521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.864521 (E_RNA) where: Base-Base interactions energy: -502.506 where: short stacking energy: -225.796 Base-Backbone interact. energy: 0.507 local terms energy: -270.865838 where: bonds (distance) C4'-P energy: -49.282 bonds (distance) P-C4' energy: -66.431 flat angles C4'-P-C4' energy: -60.241 flat angles P-C4'-P energy: -33.003 tors. eta vs tors. theta energy: -61.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -769.282353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.282353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.282353 (E_RNA) where: Base-Base interactions energy: -502.474 where: short stacking energy: -215.390 Base-Backbone interact. energy: -1.617 local terms energy: -265.191226 where: bonds (distance) C4'-P energy: -69.461 bonds (distance) P-C4' energy: -48.653 flat angles C4'-P-C4' energy: -61.795 flat angles P-C4'-P energy: -32.787 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: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -588.318186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.318186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.318186 (E_RNA) where: Base-Base interactions energy: -352.055 where: short stacking energy: -165.512 Base-Backbone interact. energy: -0.003 local terms energy: -236.260789 where: bonds (distance) C4'-P energy: -55.161 bonds (distance) P-C4' energy: -58.206 flat angles C4'-P-C4' energy: -60.703 flat angles P-C4'-P energy: -46.011 tors. eta vs tors. theta energy: -16.180 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: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -330.881832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.881832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.881832 (E_RNA) where: Base-Base interactions energy: -142.591 where: short stacking energy: -116.145 Base-Backbone interact. energy: 2.767 local terms energy: -191.057654 where: bonds (distance) C4'-P energy: -55.864 bonds (distance) P-C4' energy: -46.711 flat angles C4'-P-C4' energy: -49.419 flat angles P-C4'-P energy: -30.563 tors. eta vs tors. theta energy: -8.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -307.628678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.628678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.628678 (E_RNA) where: Base-Base interactions energy: -153.691 where: short stacking energy: -99.853 Base-Backbone interact. energy: 0.717 local terms energy: -154.653865 where: bonds (distance) C4'-P energy: -39.302 bonds (distance) P-C4' energy: -55.596 flat angles C4'-P-C4' energy: -46.397 flat angles P-C4'-P energy: -19.150 tors. eta vs tors. theta energy: 5.791 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1122.324270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.324270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.324270 (E_RNA) where: Base-Base interactions energy: -786.818 where: short stacking energy: -320.743 Base-Backbone interact. energy: -2.231 local terms energy: -333.275067 where: bonds (distance) C4'-P energy: -55.665 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -63.349 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: -94.401 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: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1025.522998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.522998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.522998 (E_RNA) where: Base-Base interactions energy: -679.628 where: short stacking energy: -304.808 Base-Backbone interact. energy: -1.853 local terms energy: -344.041842 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -62.976 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: -92.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1027.900319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.900319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.900319 (E_RNA) where: Base-Base interactions energy: -692.146 where: short stacking energy: -302.661 Base-Backbone interact. energy: -3.646 local terms energy: -332.108388 where: bonds (distance) C4'-P energy: -56.281 bonds (distance) P-C4' energy: -57.397 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: -91.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -975.853102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.853102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.853102 (E_RNA) where: Base-Base interactions energy: -660.121 where: short stacking energy: -299.556 Base-Backbone interact. energy: -1.297 local terms energy: -314.435256 where: bonds (distance) C4'-P energy: -54.652 bonds (distance) P-C4' energy: -57.033 flat angles C4'-P-C4' energy: -66.720 flat angles P-C4'-P energy: -47.415 tors. eta vs tors. theta energy: -88.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -919.200515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.200515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.200515 (E_RNA) where: Base-Base interactions energy: -612.573 where: short stacking energy: -268.389 Base-Backbone interact. energy: -1.107 local terms energy: -305.520024 where: bonds (distance) C4'-P energy: -54.719 bonds (distance) P-C4' energy: -60.344 flat angles C4'-P-C4' energy: -62.494 flat angles P-C4'-P energy: -47.783 tors. eta vs tors. theta energy: -80.181 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: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -735.978946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.978946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.978946 (E_RNA) where: Base-Base interactions energy: -469.682 where: short stacking energy: -220.330 Base-Backbone interact. energy: -0.586 local terms energy: -265.710933 where: bonds (distance) C4'-P energy: -44.713 bonds (distance) P-C4' energy: -64.971 flat angles C4'-P-C4' energy: -61.383 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -61.056 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: 234 Temperature: 1.200000 Total energy: -750.004975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.004975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.004975 (E_RNA) where: Base-Base interactions energy: -522.843 where: short stacking energy: -214.688 Base-Backbone interact. energy: -0.834 local terms energy: -226.327583 where: bonds (distance) C4'-P energy: -42.787 bonds (distance) P-C4' energy: -52.352 flat angles C4'-P-C4' energy: -56.717 flat angles P-C4'-P energy: -31.139 tors. eta vs tors. theta energy: -43.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -587.702308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.702308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.702308 (E_RNA) where: Base-Base interactions energy: -354.018 where: short stacking energy: -159.843 Base-Backbone interact. energy: -2.738 local terms energy: -230.946915 where: bonds (distance) C4'-P energy: -53.031 bonds (distance) P-C4' energy: -59.586 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -36.370 tors. eta vs tors. theta energy: -24.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -421.415464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.415464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.415464 (E_RNA) where: Base-Base interactions energy: -216.249 where: short stacking energy: -119.451 Base-Backbone interact. energy: -1.526 local terms energy: -203.640818 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -62.826 flat angles C4'-P-C4' energy: -46.968 flat angles P-C4'-P energy: -28.515 tors. eta vs tors. theta energy: -10.277 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: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -269.400359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.400359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.400359 (E_RNA) where: Base-Base interactions energy: -87.712 where: short stacking energy: -71.312 Base-Backbone interact. energy: -0.497 local terms energy: -181.190843 where: bonds (distance) C4'-P energy: -49.347 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -45.739 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: 8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1122.279535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.279535 (E_RNA) where: Base-Base interactions energy: -782.114 where: short stacking energy: -326.981 Base-Backbone interact. energy: -1.120 local terms energy: -339.046262 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -65.476 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -90.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1064.739338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.739338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.739338 (E_RNA) where: Base-Base interactions energy: -702.932 where: short stacking energy: -304.789 Base-Backbone interact. energy: -2.245 local terms energy: -359.561793 where: bonds (distance) C4'-P energy: -57.362 bonds (distance) P-C4' energy: -75.472 flat angles C4'-P-C4' energy: -77.330 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -102.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1023.558126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.558126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.558126 (E_RNA) where: Base-Base interactions energy: -690.530 where: short stacking energy: -300.699 Base-Backbone interact. energy: -0.403 local terms energy: -332.625917 where: bonds (distance) C4'-P energy: -63.734 bonds (distance) P-C4' energy: -70.706 flat angles C4'-P-C4' energy: -63.730 flat angles P-C4'-P energy: -46.768 tors. eta vs tors. theta energy: -87.688 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -954.425823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.425823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.425823 (E_RNA) where: Base-Base interactions energy: -626.331 where: short stacking energy: -268.704 Base-Backbone interact. energy: 0.647 local terms energy: -328.741711 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -66.686 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -47.826 tors. eta vs tors. theta energy: -76.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -895.303620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.303620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.303620 (E_RNA) where: Base-Base interactions energy: -590.833 where: short stacking energy: -250.978 Base-Backbone interact. energy: -2.014 local terms energy: -302.457027 where: bonds (distance) C4'-P energy: -58.272 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -65.512 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -69.363 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -786.971024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.971024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.971024 (E_RNA) where: Base-Base interactions energy: -537.080 where: short stacking energy: -221.863 Base-Backbone interact. energy: -2.647 local terms energy: -247.244443 where: bonds (distance) C4'-P energy: -47.502 bonds (distance) P-C4' energy: -50.613 flat angles C4'-P-C4' energy: -61.110 flat angles P-C4'-P energy: -37.693 tors. eta vs tors. theta energy: -50.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -730.135117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.135117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.135117 (E_RNA) where: Base-Base interactions energy: -459.325 where: short stacking energy: -217.331 Base-Backbone interact. energy: 0.739 local terms energy: -271.549974 where: bonds (distance) C4'-P energy: -53.082 bonds (distance) P-C4' energy: -61.598 flat angles C4'-P-C4' energy: -62.996 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -50.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -626.366272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.366272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.366272 (E_RNA) where: Base-Base interactions energy: -365.113 where: short stacking energy: -173.701 Base-Backbone interact. energy: -2.394 local terms energy: -258.859360 where: bonds (distance) C4'-P energy: -45.386 bonds (distance) P-C4' energy: -61.322 flat angles C4'-P-C4' energy: -57.261 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -47.144 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: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -345.315621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.315621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.315621 (E_RNA) where: Base-Base interactions energy: -154.384 where: short stacking energy: -87.110 Base-Backbone interact. energy: -1.896 local terms energy: -189.035892 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -63.023 flat angles C4'-P-C4' energy: -39.393 flat angles P-C4'-P energy: -24.355 tors. eta vs tors. theta energy: -5.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -265.330456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.330456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.330456 (E_RNA) where: Base-Base interactions energy: -80.452 where: short stacking energy: -66.295 Base-Backbone interact. energy: 0.019 local terms energy: -184.897275 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -71.227 flat angles C4'-P-C4' energy: -39.177 flat angles P-C4'-P energy: -28.005 tors. eta vs tors. theta energy: 11.271 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: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1111.407008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.407008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.407008 (E_RNA) where: Base-Base interactions energy: -765.617 where: short stacking energy: -307.047 Base-Backbone interact. energy: -2.566 local terms energy: -343.223993 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -73.609 flat angles P-C4'-P energy: -57.055 tors. eta vs tors. theta energy: -94.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1058.930244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.930244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.930244 (E_RNA) where: Base-Base interactions energy: -728.967 where: short stacking energy: -324.978 Base-Backbone interact. energy: -2.399 local terms energy: -327.564026 where: bonds (distance) C4'-P energy: -66.225 bonds (distance) P-C4' energy: -50.413 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -98.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -969.266177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.266177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.266177 (E_RNA) where: Base-Base interactions energy: -647.363 where: short stacking energy: -277.395 Base-Backbone interact. energy: -2.181 local terms energy: -319.721385 where: bonds (distance) C4'-P energy: -68.807 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -64.370 flat angles P-C4'-P energy: -56.692 tors. eta vs tors. theta energy: -75.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -986.206640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.206640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.206640 (E_RNA) where: Base-Base interactions energy: -675.058 where: short stacking energy: -300.403 Base-Backbone interact. energy: -3.362 local terms energy: -307.786141 where: bonds (distance) C4'-P energy: -47.216 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -39.579 tors. eta vs tors. theta energy: -88.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -897.407713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.407713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.407713 (E_RNA) where: Base-Base interactions energy: -613.234 where: short stacking energy: -255.349 Base-Backbone interact. energy: -0.790 local terms energy: -283.383814 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -55.312 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -63.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -794.627582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.627582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.627582 (E_RNA) where: Base-Base interactions energy: -533.097 where: short stacking energy: -217.876 Base-Backbone interact. energy: -0.228 local terms energy: -261.302179 where: bonds (distance) C4'-P energy: -63.293 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -35.562 tors. eta vs tors. theta energy: -45.758 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: 7, replica: 3 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -740.954244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.954244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.954244 (E_RNA) where: Base-Base interactions energy: -467.088 where: short stacking energy: -228.456 Base-Backbone interact. energy: 0.197 local terms energy: -274.063048 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -62.543 flat angles C4'-P-C4' energy: -59.790 flat angles P-C4'-P energy: -41.415 tors. eta vs tors. theta energy: -58.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -649.795449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.795449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.795449 (E_RNA) where: Base-Base interactions energy: -421.347 where: short stacking energy: -205.215 Base-Backbone interact. energy: -0.490 local terms energy: -227.958135 where: bonds (distance) C4'-P energy: -46.839 bonds (distance) P-C4' energy: -55.547 flat angles C4'-P-C4' energy: -45.245 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -46.405 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: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -338.674535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.674535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.674535 (E_RNA) where: Base-Base interactions energy: -163.827 where: short stacking energy: -95.227 Base-Backbone interact. energy: 0.915 local terms energy: -175.762546 where: bonds (distance) C4'-P energy: -57.887 bonds (distance) P-C4' energy: -48.684 flat angles C4'-P-C4' energy: -39.114 flat angles P-C4'-P energy: -29.095 tors. eta vs tors. theta energy: -0.983 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: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -313.088507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.088507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.088507 (E_RNA) where: Base-Base interactions energy: -146.030 where: short stacking energy: -101.475 Base-Backbone interact. energy: 5.567 local terms energy: -172.625225 where: bonds (distance) C4'-P energy: -47.138 bonds (distance) P-C4' energy: -55.172 flat angles C4'-P-C4' energy: -57.052 flat angles P-C4'-P energy: -17.375 tors. eta vs tors. theta energy: 4.112 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: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1129.202085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.202085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.202085 (E_RNA) where: Base-Base interactions energy: -792.360 where: short stacking energy: -333.185 Base-Backbone interact. energy: -4.580 local terms energy: -332.262014 where: bonds (distance) C4'-P energy: -57.931 bonds (distance) P-C4' energy: -67.042 flat angles C4'-P-C4' energy: -69.770 flat angles P-C4'-P energy: -45.438 tors. eta vs tors. theta energy: -92.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1059.180513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.180513 (E_RNA) where: Base-Base interactions energy: -723.484 where: short stacking energy: -326.754 Base-Backbone interact. energy: -1.228 local terms energy: -334.468221 where: bonds (distance) C4'-P energy: -59.369 bonds (distance) P-C4' energy: -61.005 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -94.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -972.592301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.592301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.592301 (E_RNA) where: Base-Base interactions energy: -640.836 where: short stacking energy: -267.646 Base-Backbone interact. energy: -1.437 local terms energy: -330.319307 where: bonds (distance) C4'-P energy: -68.557 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -53.525 tors. eta vs tors. theta energy: -69.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -931.789575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.789575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.789575 (E_RNA) where: Base-Base interactions energy: -617.272 where: short stacking energy: -269.932 Base-Backbone interact. energy: -0.469 local terms energy: -314.048877 where: bonds (distance) C4'-P energy: -55.632 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -68.759 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -76.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -919.723578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.723578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.723578 (E_RNA) where: Base-Base interactions energy: -631.212 where: short stacking energy: -273.845 Base-Backbone interact. energy: -1.623 local terms energy: -286.888630 where: bonds (distance) C4'-P energy: -58.361 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -51.306 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -69.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -759.724012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.724012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.724012 (E_RNA) where: Base-Base interactions energy: -508.132 where: short stacking energy: -225.232 Base-Backbone interact. energy: -0.755 local terms energy: -250.837042 where: bonds (distance) C4'-P energy: -56.246 bonds (distance) P-C4' energy: -60.075 flat angles C4'-P-C4' energy: -49.867 flat angles P-C4'-P energy: -33.689 tors. eta vs tors. theta energy: -50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -737.376709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.376709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.376709 (E_RNA) where: Base-Base interactions energy: -465.810 where: short stacking energy: -207.321 Base-Backbone interact. energy: -0.658 local terms energy: -270.908741 where: bonds (distance) C4'-P energy: -52.333 bonds (distance) P-C4' energy: -56.222 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -42.470 tors. eta vs tors. theta energy: -52.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -623.215647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.215647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.215647 (E_RNA) where: Base-Base interactions energy: -385.449 where: short stacking energy: -184.481 Base-Backbone interact. energy: -1.448 local terms energy: -236.317727 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -57.902 flat angles C4'-P-C4' energy: -65.290 flat angles P-C4'-P energy: -24.372 tors. eta vs tors. theta energy: -29.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -409.187864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.187864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.187864 (E_RNA) where: Base-Base interactions energy: -215.299 where: short stacking energy: -133.769 Base-Backbone interact. energy: -1.288 local terms energy: -192.600699 where: bonds (distance) C4'-P energy: -51.240 bonds (distance) P-C4' energy: -54.285 flat angles C4'-P-C4' energy: -47.653 flat angles P-C4'-P energy: -23.704 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -308.365357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.365357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.365357 (E_RNA) where: Base-Base interactions energy: -141.184 where: short stacking energy: -98.657 Base-Backbone interact. energy: 2.357 local terms energy: -169.538580 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -48.318 flat angles C4'-P-C4' energy: -41.605 flat angles P-C4'-P energy: -32.494 tors. eta vs tors. theta energy: 5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1134.132662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.132662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.132662 (E_RNA) where: Base-Base interactions energy: -788.629 where: short stacking energy: -337.380 Base-Backbone interact. energy: -1.031 local terms energy: -344.473319 where: bonds (distance) C4'-P energy: -58.246 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -89.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1058.090202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.090202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.090202 (E_RNA) where: Base-Base interactions energy: -722.977 where: short stacking energy: -329.654 Base-Backbone interact. energy: -2.689 local terms energy: -332.423778 where: bonds (distance) C4'-P energy: -55.336 bonds (distance) P-C4' energy: -61.238 flat angles C4'-P-C4' energy: -77.568 flat angles P-C4'-P energy: -39.644 tors. eta vs tors. theta energy: -98.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1008.383563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.383563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.383563 (E_RNA) where: Base-Base interactions energy: -692.901 where: short stacking energy: -304.640 Base-Backbone interact. energy: -1.753 local terms energy: -313.729314 where: bonds (distance) C4'-P energy: -53.322 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -41.524 tors. eta vs tors. theta energy: -85.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -946.846956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.846956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.846956 (E_RNA) where: Base-Base interactions energy: -642.771 where: short stacking energy: -272.775 Base-Backbone interact. energy: -0.439 local terms energy: -303.636962 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -64.044 flat angles C4'-P-C4' energy: -60.330 flat angles P-C4'-P energy: -44.410 tors. eta vs tors. theta energy: -74.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -918.606297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.606297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.606297 (E_RNA) where: Base-Base interactions energy: -627.008 where: short stacking energy: -277.086 Base-Backbone interact. energy: 0.621 local terms energy: -292.219567 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -55.401 flat angles C4'-P-C4' energy: -58.857 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -79.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -748.637185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.637185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.637185 (E_RNA) where: Base-Base interactions energy: -471.423 where: short stacking energy: -219.137 Base-Backbone interact. energy: -0.529 local terms energy: -276.685777 where: bonds (distance) C4'-P energy: -68.428 bonds (distance) P-C4' energy: -61.888 flat angles C4'-P-C4' energy: -63.973 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -45.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -717.349166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.349166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.349166 (E_RNA) where: Base-Base interactions energy: -449.204 where: short stacking energy: -227.961 Base-Backbone interact. energy: 1.704 local terms energy: -269.849062 where: bonds (distance) C4'-P energy: -49.636 bonds (distance) P-C4' energy: -61.394 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -35.618 tors. eta vs tors. theta energy: -57.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -607.079326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.079326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.079326 (E_RNA) where: Base-Base interactions energy: -358.944 where: short stacking energy: -166.547 Base-Backbone interact. energy: -4.169 local terms energy: -243.966579 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -50.438 flat angles C4'-P-C4' energy: -60.959 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -32.625 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: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -395.416211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.416211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.416211 (E_RNA) where: Base-Base interactions energy: -196.766 where: short stacking energy: -114.156 Base-Backbone interact. energy: -1.153 local terms energy: -197.496754 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -55.241 flat angles C4'-P-C4' energy: -55.084 flat angles P-C4'-P energy: -22.302 tors. eta vs tors. theta energy: -10.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -347.879102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.879102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.879102 (E_RNA) where: Base-Base interactions energy: -172.310 where: short stacking energy: -111.772 Base-Backbone interact. energy: 2.340 local terms energy: -177.909607 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -52.213 flat angles C4'-P-C4' energy: -40.083 flat angles P-C4'-P energy: -30.230 tors. eta vs tors. theta energy: -3.019 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: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1137.681063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.681063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.681063 (E_RNA) where: Base-Base interactions energy: -787.865 where: short stacking energy: -322.785 Base-Backbone interact. energy: -1.608 local terms energy: -348.208822 where: bonds (distance) C4'-P energy: -64.369 bonds (distance) P-C4' energy: -63.693 flat angles C4'-P-C4' energy: -75.137 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: -91.406 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: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1053.613339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.613339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.613339 (E_RNA) where: Base-Base interactions energy: -721.964 where: short stacking energy: -306.176 Base-Backbone interact. energy: 1.127 local terms energy: -332.776499 where: bonds (distance) C4'-P energy: -62.492 bonds (distance) P-C4' energy: -66.051 flat angles C4'-P-C4' energy: -72.922 flat angles P-C4'-P energy: -45.191 tors. eta vs tors. theta energy: -86.120 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: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -993.018529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.018529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.018529 (E_RNA) where: Base-Base interactions energy: -674.579 where: short stacking energy: -300.321 Base-Backbone interact. energy: -0.987 local terms energy: -317.452434 where: bonds (distance) C4'-P energy: -52.074 bonds (distance) P-C4' energy: -66.229 flat angles C4'-P-C4' energy: -66.185 flat angles P-C4'-P energy: -39.259 tors. eta vs tors. theta energy: -93.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -986.619407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.619407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.619407 (E_RNA) where: Base-Base interactions energy: -670.997 where: short stacking energy: -286.790 Base-Backbone interact. energy: -0.111 local terms energy: -315.511364 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -66.509 flat angles C4'-P-C4' energy: -52.133 flat angles P-C4'-P energy: -46.709 tors. eta vs tors. theta energy: -87.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -968.591209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.591209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.591209 (E_RNA) where: Base-Base interactions energy: -635.038 where: short stacking energy: -270.144 Base-Backbone interact. energy: -0.269 local terms energy: -333.284470 where: bonds (distance) C4'-P energy: -66.368 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -70.809 flat angles P-C4'-P energy: -51.303 tors. eta vs tors. theta energy: -89.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -784.637540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.637540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.637540 (E_RNA) where: Base-Base interactions energy: -499.900 where: short stacking energy: -222.942 Base-Backbone interact. energy: 0.031 local terms energy: -284.768564 where: bonds (distance) C4'-P energy: -61.733 bonds (distance) P-C4' energy: -52.417 flat angles C4'-P-C4' energy: -61.514 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -61.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -685.502590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.502590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.502590 (E_RNA) where: Base-Base interactions energy: -439.226 where: short stacking energy: -197.530 Base-Backbone interact. energy: -2.853 local terms energy: -243.423659 where: bonds (distance) C4'-P energy: -53.739 bonds (distance) P-C4' energy: -55.506 flat angles C4'-P-C4' energy: -52.202 flat angles P-C4'-P energy: -33.523 tors. eta vs tors. theta energy: -48.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -540.812714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.812714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.812714 (E_RNA) where: Base-Base interactions energy: -318.561 where: short stacking energy: -124.430 Base-Backbone interact. energy: -1.496 local terms energy: -220.755576 where: bonds (distance) C4'-P energy: -55.632 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -51.921 flat angles P-C4'-P energy: -41.144 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -396.091538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.091538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.091538 (E_RNA) where: Base-Base interactions energy: -177.516 where: short stacking energy: -112.294 Base-Backbone interact. energy: 0.230 local terms energy: -218.805407 where: bonds (distance) C4'-P energy: -52.952 bonds (distance) P-C4' energy: -56.673 flat angles C4'-P-C4' energy: -49.105 flat angles P-C4'-P energy: -35.435 tors. eta vs tors. theta energy: -24.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -340.465801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.465801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.465801 (E_RNA) where: Base-Base interactions energy: -141.478 where: short stacking energy: -86.286 Base-Backbone interact. energy: 1.644 local terms energy: -200.632582 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -52.242 flat angles C4'-P-C4' energy: -46.998 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: 0.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1120.480160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.480160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.480160 (E_RNA) where: Base-Base interactions energy: -767.507 where: short stacking energy: -319.116 Base-Backbone interact. energy: -0.329 local terms energy: -352.644037 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -71.219 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -92.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1060.997233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.997233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.997233 (E_RNA) where: Base-Base interactions energy: -723.965 where: short stacking energy: -321.348 Base-Backbone interact. energy: -0.429 local terms energy: -336.603623 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -69.011 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -96.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1018.968335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.968335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.968335 (E_RNA) where: Base-Base interactions energy: -692.116 where: short stacking energy: -293.733 Base-Backbone interact. energy: -2.282 local terms energy: -324.570078 where: bonds (distance) C4'-P energy: -68.172 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -70.550 flat angles P-C4'-P energy: -41.865 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: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -922.757144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.757144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.757144 (E_RNA) where: Base-Base interactions energy: -615.971 where: short stacking energy: -250.254 Base-Backbone interact. energy: -0.451 local terms energy: -306.334612 where: bonds (distance) C4'-P energy: -59.782 bonds (distance) P-C4' energy: -58.684 flat angles C4'-P-C4' energy: -67.664 flat angles P-C4'-P energy: -48.504 tors. eta vs tors. theta energy: -71.701 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: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -939.745141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.745141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.745141 (E_RNA) where: Base-Base interactions energy: -633.386 where: short stacking energy: -264.791 Base-Backbone interact. energy: -1.199 local terms energy: -305.160890 where: bonds (distance) C4'-P energy: -64.406 bonds (distance) P-C4' energy: -55.235 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -42.054 tors. eta vs tors. theta energy: -75.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -814.511228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.511228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.511228 (E_RNA) where: Base-Base interactions energy: -544.229 where: short stacking energy: -247.364 Base-Backbone interact. energy: 2.802 local terms energy: -273.083539 where: bonds (distance) C4'-P energy: -51.462 bonds (distance) P-C4' energy: -61.510 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -40.433 tors. eta vs tors. theta energy: -62.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -687.357334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.357334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.357334 (E_RNA) where: Base-Base interactions energy: -440.272 where: short stacking energy: -204.378 Base-Backbone interact. energy: -2.198 local terms energy: -244.887956 where: bonds (distance) C4'-P energy: -61.796 bonds (distance) P-C4' energy: -49.493 flat angles C4'-P-C4' energy: -60.955 flat angles P-C4'-P energy: -28.732 tors. eta vs tors. theta energy: -43.912 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: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -564.653267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.653267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.653267 (E_RNA) where: Base-Base interactions energy: -356.655 where: short stacking energy: -161.133 Base-Backbone interact. energy: -1.240 local terms energy: -206.758829 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -36.237 flat angles C4'-P-C4' energy: -60.317 flat angles P-C4'-P energy: -28.016 tors. eta vs tors. theta energy: -27.186 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: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -346.672993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.672993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.672993 (E_RNA) where: Base-Base interactions energy: -163.890 where: short stacking energy: -111.396 Base-Backbone interact. energy: 2.072 local terms energy: -184.854896 where: bonds (distance) C4'-P energy: -38.941 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -47.769 flat angles P-C4'-P energy: -32.496 tors. eta vs tors. theta energy: -5.968 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: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -325.107363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.107363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.107363 (E_RNA) where: Base-Base interactions energy: -150.852 where: short stacking energy: -95.044 Base-Backbone interact. energy: -1.218 local terms energy: -173.036833 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -60.427 flat angles C4'-P-C4' energy: -47.020 flat angles P-C4'-P energy: -27.659 tors. eta vs tors. theta energy: 7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1114.518202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.518202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.518202 (E_RNA) where: Base-Base interactions energy: -769.362 where: short stacking energy: -316.019 Base-Backbone interact. energy: -0.995 local terms energy: -344.161284 where: bonds (distance) C4'-P energy: -69.951 bonds (distance) P-C4' energy: -60.746 flat angles C4'-P-C4' energy: -70.769 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -94.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1060.843009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.843009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.843009 (E_RNA) where: Base-Base interactions energy: -734.231 where: short stacking energy: -315.270 Base-Backbone interact. energy: -1.295 local terms energy: -325.317044 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -95.143 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: 241 Temperature: 1.000000 Total energy: -999.914295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.914295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.914295 (E_RNA) where: Base-Base interactions energy: -671.181 where: short stacking energy: -298.306 Base-Backbone interact. energy: -1.573 local terms energy: -327.159659 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -58.991 flat angles C4'-P-C4' energy: -66.459 flat angles P-C4'-P energy: -47.461 tors. eta vs tors. theta energy: -89.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -988.134956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.134956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.134956 (E_RNA) where: Base-Base interactions energy: -670.180 where: short stacking energy: -291.453 Base-Backbone interact. energy: -2.580 local terms energy: -315.374623 where: bonds (distance) C4'-P energy: -58.995 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -66.077 flat angles P-C4'-P energy: -28.775 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -890.690304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.690304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.690304 (E_RNA) where: Base-Base interactions energy: -612.246 where: short stacking energy: -256.716 Base-Backbone interact. energy: -0.337 local terms energy: -278.106671 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -56.373 flat angles C4'-P-C4' energy: -64.289 flat angles P-C4'-P energy: -31.120 tors. eta vs tors. theta energy: -76.267 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: 241 Temperature: 1.150000 Total energy: -850.884356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.884356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.884356 (E_RNA) where: Base-Base interactions energy: -559.155 where: short stacking energy: -228.024 Base-Backbone interact. energy: -0.592 local terms energy: -291.137194 where: bonds (distance) C4'-P energy: -57.507 bonds (distance) P-C4' energy: -68.515 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -37.778 tors. eta vs tors. theta energy: -61.449 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: 3 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -731.226369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.226369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.226369 (E_RNA) where: Base-Base interactions energy: -461.626 where: short stacking energy: -224.658 Base-Backbone interact. energy: -0.471 local terms energy: -269.128476 where: bonds (distance) C4'-P energy: -48.068 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -45.299 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: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -583.267192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.267192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.267192 (E_RNA) where: Base-Base interactions energy: -373.368 where: short stacking energy: -170.360 Base-Backbone interact. energy: -0.301 local terms energy: -209.597910 where: bonds (distance) C4'-P energy: -49.760 bonds (distance) P-C4' energy: -53.563 flat angles C4'-P-C4' energy: -58.074 flat angles P-C4'-P energy: -32.079 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -379.974475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.974475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.974475 (E_RNA) where: Base-Base interactions energy: -185.291 where: short stacking energy: -123.760 Base-Backbone interact. energy: 1.829 local terms energy: -196.512017 where: bonds (distance) C4'-P energy: -44.796 bonds (distance) P-C4' energy: -65.564 flat angles C4'-P-C4' energy: -51.923 flat angles P-C4'-P energy: -28.885 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: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -279.707156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.707156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.707156 (E_RNA) where: Base-Base interactions energy: -106.501 where: short stacking energy: -85.727 Base-Backbone interact. energy: 1.054 local terms energy: -174.260717 where: bonds (distance) C4'-P energy: -45.193 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -43.217 flat angles P-C4'-P energy: -27.023 tors. eta vs tors. theta energy: 5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1082.470822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.470822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.470822 (E_RNA) where: Base-Base interactions energy: -724.801 where: short stacking energy: -320.862 Base-Backbone interact. energy: -1.001 local terms energy: -356.668454 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -75.221 flat angles P-C4'-P energy: -60.315 tors. eta vs tors. theta energy: -93.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1103.469288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.469288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.469288 (E_RNA) where: Base-Base interactions energy: -759.546 where: short stacking energy: -323.356 Base-Backbone interact. energy: -0.604 local terms energy: -343.318941 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -66.574 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: -97.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1028.476485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.476485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.476485 (E_RNA) where: Base-Base interactions energy: -701.872 where: short stacking energy: -325.047 Base-Backbone interact. energy: -0.650 local terms energy: -325.954693 where: bonds (distance) C4'-P energy: -64.594 bonds (distance) P-C4' energy: -57.395 flat angles C4'-P-C4' energy: -68.519 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: -99.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -966.438187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.438187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.438187 (E_RNA) where: Base-Base interactions energy: -660.100 where: short stacking energy: -278.474 Base-Backbone interact. energy: -0.205 local terms energy: -306.133159 where: bonds (distance) C4'-P energy: -53.098 bonds (distance) P-C4' energy: -63.039 flat angles C4'-P-C4' energy: -69.512 flat angles P-C4'-P energy: -43.441 tors. eta vs tors. theta energy: -77.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -879.831238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.831238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.831238 (E_RNA) where: Base-Base interactions energy: -600.754 where: short stacking energy: -267.809 Base-Backbone interact. energy: -0.403 local terms energy: -278.674309 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -51.465 flat angles C4'-P-C4' energy: -50.188 flat angles P-C4'-P energy: -47.634 tors. eta vs tors. theta energy: -69.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -808.509082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.509082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.509082 (E_RNA) where: Base-Base interactions energy: -533.004 where: short stacking energy: -224.081 Base-Backbone interact. energy: -1.348 local terms energy: -274.157235 where: bonds (distance) C4'-P energy: -64.888 bonds (distance) P-C4' energy: -50.976 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: -55.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -662.936778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.936778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.936778 (E_RNA) where: Base-Base interactions energy: -425.401 where: short stacking energy: -210.071 Base-Backbone interact. energy: 0.233 local terms energy: -237.767922 where: bonds (distance) C4'-P energy: -48.806 bonds (distance) P-C4' energy: -53.323 flat angles C4'-P-C4' energy: -59.868 flat angles P-C4'-P energy: -39.079 tors. eta vs tors. theta energy: -36.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -676.192726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.192726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.192726 (E_RNA) where: Base-Base interactions energy: -433.835 where: short stacking energy: -199.538 Base-Backbone interact. energy: -0.280 local terms energy: -242.077465 where: bonds (distance) C4'-P energy: -56.238 bonds (distance) P-C4' energy: -56.037 flat angles C4'-P-C4' energy: -55.868 flat angles P-C4'-P energy: -28.052 tors. eta vs tors. theta energy: -45.882 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: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -387.471463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.471463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.471463 (E_RNA) where: Base-Base interactions energy: -173.222 where: short stacking energy: -116.514 Base-Backbone interact. energy: 0.786 local terms energy: -215.035922 where: bonds (distance) C4'-P energy: -55.416 bonds (distance) P-C4' energy: -71.468 flat angles C4'-P-C4' energy: -55.270 flat angles P-C4'-P energy: -26.197 tors. eta vs tors. theta energy: -6.685 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: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -275.537158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.537158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.537158 (E_RNA) where: Base-Base interactions energy: -92.726 where: short stacking energy: -65.091 Base-Backbone interact. energy: 0.956 local terms energy: -183.767673 where: bonds (distance) C4'-P energy: -54.249 bonds (distance) P-C4' energy: -62.801 flat angles C4'-P-C4' energy: -48.369 flat angles P-C4'-P energy: -32.964 tors. eta vs tors. theta energy: 14.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1096.166596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.166596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.166596 (E_RNA) where: Base-Base interactions energy: -728.128 where: short stacking energy: -320.483 Base-Backbone interact. energy: -1.833 local terms energy: -366.205029 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -70.645 flat angles C4'-P-C4' energy: -79.127 flat angles P-C4'-P energy: -48.231 tors. eta vs tors. theta energy: -91.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1094.036453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.036453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.036453 (E_RNA) where: Base-Base interactions energy: -755.670 where: short stacking energy: -320.452 Base-Backbone interact. energy: -0.160 local terms energy: -338.206043 where: bonds (distance) C4'-P energy: -65.564 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -91.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1043.995105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.995105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.995105 (E_RNA) where: Base-Base interactions energy: -717.657 where: short stacking energy: -334.131 Base-Backbone interact. energy: -0.808 local terms energy: -325.530549 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -61.149 flat angles C4'-P-C4' energy: -68.521 flat angles P-C4'-P energy: -38.792 tors. eta vs tors. theta energy: -103.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -994.288090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.288090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.288090 (E_RNA) where: Base-Base interactions energy: -681.751 where: short stacking energy: -295.347 Base-Backbone interact. energy: -0.067 local terms energy: -312.470506 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -58.963 flat angles C4'-P-C4' energy: -63.207 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -90.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -905.769400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.769400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.769400 (E_RNA) where: Base-Base interactions energy: -602.225 where: short stacking energy: -254.029 Base-Backbone interact. energy: 2.298 local terms energy: -305.842579 where: bonds (distance) C4'-P energy: -51.969 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -68.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -825.468258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.468258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.468258 (E_RNA) where: Base-Base interactions energy: -551.940 where: short stacking energy: -235.035 Base-Backbone interact. energy: -1.619 local terms energy: -271.909718 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -55.009 flat angles C4'-P-C4' energy: -59.619 flat angles P-C4'-P energy: -37.318 tors. eta vs tors. theta energy: -56.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -628.155653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.155653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.155653 (E_RNA) where: Base-Base interactions energy: -396.176 where: short stacking energy: -197.918 Base-Backbone interact. energy: 3.648 local terms energy: -235.627840 where: bonds (distance) C4'-P energy: -63.314 bonds (distance) P-C4' energy: -55.912 flat angles C4'-P-C4' energy: -51.385 flat angles P-C4'-P energy: -36.537 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: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -686.190008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.190008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.190008 (E_RNA) where: Base-Base interactions energy: -435.237 where: short stacking energy: -220.722 Base-Backbone interact. energy: 1.064 local terms energy: -252.017173 where: bonds (distance) C4'-P energy: -45.792 bonds (distance) P-C4' energy: -51.550 flat angles C4'-P-C4' energy: -64.699 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -56.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -390.475057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.475057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.475057 (E_RNA) where: Base-Base interactions energy: -190.213 where: short stacking energy: -124.386 Base-Backbone interact. energy: -2.199 local terms energy: -198.063394 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -49.862 flat angles C4'-P-C4' energy: -46.724 flat angles P-C4'-P energy: -36.015 tors. eta vs tors. theta energy: -3.008 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -303.687153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.687153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.687153 (E_RNA) where: Base-Base interactions energy: -129.856 where: short stacking energy: -80.070 Base-Backbone interact. energy: 1.806 local terms energy: -175.637283 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -53.818 flat angles C4'-P-C4' energy: -38.270 flat angles P-C4'-P energy: -25.820 tors. eta vs tors. theta energy: 7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1103.860348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.860348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.860348 (E_RNA) where: Base-Base interactions energy: -758.731 where: short stacking energy: -312.296 Base-Backbone interact. energy: 1.883 local terms energy: -347.012318 where: bonds (distance) C4'-P energy: -67.779 bonds (distance) P-C4' energy: -67.041 flat angles C4'-P-C4' energy: -75.380 flat angles P-C4'-P energy: -46.712 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1064.892689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.892689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.892689 (E_RNA) where: Base-Base interactions energy: -723.278 where: short stacking energy: -304.821 Base-Backbone interact. energy: -1.948 local terms energy: -339.666720 where: bonds (distance) C4'-P energy: -62.351 bonds (distance) P-C4' energy: -62.103 flat angles C4'-P-C4' energy: -74.812 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -90.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1032.961471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.961471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.961471 (E_RNA) where: Base-Base interactions energy: -689.323 where: short stacking energy: -304.655 Base-Backbone interact. energy: -0.863 local terms energy: -342.774944 where: bonds (distance) C4'-P energy: -57.694 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -73.523 flat angles P-C4'-P energy: -55.541 tors. eta vs tors. theta energy: -96.789 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: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -992.826192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.826192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.826192 (E_RNA) where: Base-Base interactions energy: -668.691 where: short stacking energy: -298.286 Base-Backbone interact. energy: -0.049 local terms energy: -324.086685 where: bonds (distance) C4'-P energy: -60.068 bonds (distance) P-C4' energy: -63.758 flat angles C4'-P-C4' energy: -60.065 flat angles P-C4'-P energy: -50.790 tors. eta vs tors. theta energy: -89.405 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: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -900.114534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.114534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.114534 (E_RNA) where: Base-Base interactions energy: -592.768 where: short stacking energy: -265.694 Base-Backbone interact. energy: 0.880 local terms energy: -308.226256 where: bonds (distance) C4'-P energy: -71.025 bonds (distance) P-C4' energy: -52.029 flat angles C4'-P-C4' energy: -71.019 flat angles P-C4'-P energy: -37.979 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: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -855.302556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.302556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.302556 (E_RNA) where: Base-Base interactions energy: -574.171 where: short stacking energy: -258.037 Base-Backbone interact. energy: -2.073 local terms energy: -279.058068 where: bonds (distance) C4'-P energy: -44.699 bonds (distance) P-C4' energy: -65.675 flat angles C4'-P-C4' energy: -55.657 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -72.419 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: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -640.668004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.668004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.668004 (E_RNA) where: Base-Base interactions energy: -398.951 where: short stacking energy: -192.257 Base-Backbone interact. energy: -1.114 local terms energy: -240.602549 where: bonds (distance) C4'-P energy: -57.652 bonds (distance) P-C4' energy: -55.430 flat angles C4'-P-C4' energy: -50.220 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -41.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -614.306153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.306153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.306153 (E_RNA) where: Base-Base interactions energy: -380.543 where: short stacking energy: -175.994 Base-Backbone interact. energy: -0.865 local terms energy: -232.898264 where: bonds (distance) C4'-P energy: -53.104 bonds (distance) P-C4' energy: -54.490 flat angles C4'-P-C4' energy: -61.335 flat angles P-C4'-P energy: -33.055 tors. eta vs tors. theta energy: -30.915 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: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -442.483450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.483450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.483450 (E_RNA) where: Base-Base interactions energy: -250.821 where: short stacking energy: -148.501 Base-Backbone interact. energy: -2.833 local terms energy: -188.828891 where: bonds (distance) C4'-P energy: -42.150 bonds (distance) P-C4' energy: -41.360 flat angles C4'-P-C4' energy: -50.021 flat angles P-C4'-P energy: -33.441 tors. eta vs tors. theta energy: -21.857 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: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -264.858118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.858118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.858118 (E_RNA) where: Base-Base interactions energy: -112.364 where: short stacking energy: -108.985 Base-Backbone interact. energy: 2.452 local terms energy: -154.945381 where: bonds (distance) C4'-P energy: -45.890 bonds (distance) P-C4' energy: -46.034 flat angles C4'-P-C4' energy: -47.305 flat angles P-C4'-P energy: -17.186 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1106.566244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.566244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.566244 (E_RNA) where: Base-Base interactions energy: -770.351 where: short stacking energy: -318.010 Base-Backbone interact. energy: -1.067 local terms energy: -335.148784 where: bonds (distance) C4'-P energy: -59.660 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -70.176 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -85.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1038.546066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.546066 (E_RNA) where: Base-Base interactions energy: -694.188 where: short stacking energy: -319.778 Base-Backbone interact. energy: -0.784 local terms energy: -343.574317 where: bonds (distance) C4'-P energy: -64.672 bonds (distance) P-C4' energy: -60.806 flat angles C4'-P-C4' energy: -70.371 flat angles P-C4'-P energy: -49.349 tors. eta vs tors. theta energy: -98.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1021.023120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.023120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.023120 (E_RNA) where: Base-Base interactions energy: -697.671 where: short stacking energy: -288.864 Base-Backbone interact. energy: -0.717 local terms energy: -322.635172 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -87.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -972.094069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.094069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.094069 (E_RNA) where: Base-Base interactions energy: -652.069 where: short stacking energy: -300.591 Base-Backbone interact. energy: 1.348 local terms energy: -321.373837 where: bonds (distance) C4'-P energy: -54.992 bonds (distance) P-C4' energy: -61.435 flat angles C4'-P-C4' energy: -79.180 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -84.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -856.127504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.127504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.127504 (E_RNA) where: Base-Base interactions energy: -571.492 where: short stacking energy: -241.700 Base-Backbone interact. energy: 0.276 local terms energy: -284.911464 where: bonds (distance) C4'-P energy: -58.602 bonds (distance) P-C4' energy: -59.708 flat angles C4'-P-C4' energy: -53.337 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: -73.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -808.977666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.977666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.977666 (E_RNA) where: Base-Base interactions energy: -546.059 where: short stacking energy: -242.546 Base-Backbone interact. energy: 0.125 local terms energy: -263.043860 where: bonds (distance) C4'-P energy: -50.607 bonds (distance) P-C4' energy: -60.390 flat angles C4'-P-C4' energy: -50.998 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: -52.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -640.786370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.786370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.786370 (E_RNA) where: Base-Base interactions energy: -408.629 where: short stacking energy: -199.750 Base-Backbone interact. energy: -0.450 local terms energy: -231.707967 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -61.114 flat angles C4'-P-C4' energy: -49.824 flat angles P-C4'-P energy: -25.803 tors. eta vs tors. theta energy: -35.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -552.800944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.800944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.800944 (E_RNA) where: Base-Base interactions energy: -335.822 where: short stacking energy: -154.783 Base-Backbone interact. energy: -3.359 local terms energy: -213.620022 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -43.346 flat angles P-C4'-P energy: -29.519 tors. eta vs tors. theta energy: -22.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -430.143808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.143808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.143808 (E_RNA) where: Base-Base interactions energy: -238.720 where: short stacking energy: -122.278 Base-Backbone interact. energy: -0.886 local terms energy: -190.538078 where: bonds (distance) C4'-P energy: -61.595 bonds (distance) P-C4' energy: -56.372 flat angles C4'-P-C4' energy: -45.533 flat angles P-C4'-P energy: -23.447 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: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -269.852489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.852489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.852489 (E_RNA) where: Base-Base interactions energy: -80.830 where: short stacking energy: -72.744 Base-Backbone interact. energy: -2.790 local terms energy: -186.231890 where: bonds (distance) C4'-P energy: -55.770 bonds (distance) P-C4' energy: -64.206 flat angles C4'-P-C4' energy: -51.967 flat angles P-C4'-P energy: -19.510 tors. eta vs tors. theta energy: 5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1115.158070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.158070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.158070 (E_RNA) where: Base-Base interactions energy: -769.712 where: short stacking energy: -313.604 Base-Backbone interact. energy: 1.568 local terms energy: -347.013564 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -63.140 flat angles C4'-P-C4' energy: -70.732 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -92.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1063.095787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.095787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.095787 (E_RNA) where: Base-Base interactions energy: -727.310 where: short stacking energy: -326.672 Base-Backbone interact. energy: -0.869 local terms energy: -334.916090 where: bonds (distance) C4'-P energy: -66.967 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -66.381 flat angles P-C4'-P energy: -43.443 tors. eta vs tors. theta energy: -96.791 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: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1001.459238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.459238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.459238 (E_RNA) where: Base-Base interactions energy: -656.221 where: short stacking energy: -281.754 Base-Backbone interact. energy: -1.457 local terms energy: -343.781648 where: bonds (distance) C4'-P energy: -62.397 bonds (distance) P-C4' energy: -65.696 flat angles C4'-P-C4' energy: -68.834 flat angles P-C4'-P energy: -53.955 tors. eta vs tors. theta energy: -92.900 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: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1006.082651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.082651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.082651 (E_RNA) where: Base-Base interactions energy: -697.684 where: short stacking energy: -278.376 Base-Backbone interact. energy: -0.915 local terms energy: -307.483719 where: bonds (distance) C4'-P energy: -56.446 bonds (distance) P-C4' energy: -55.885 flat angles C4'-P-C4' energy: -71.658 flat angles P-C4'-P energy: -32.747 tors. eta vs tors. theta energy: -90.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -876.096849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.096849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.096849 (E_RNA) where: Base-Base interactions energy: -579.082 where: short stacking energy: -266.960 Base-Backbone interact. energy: -1.246 local terms energy: -295.768523 where: bonds (distance) C4'-P energy: -54.956 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -69.621 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -69.417 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: 8 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -808.040783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.040783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.040783 (E_RNA) where: Base-Base interactions energy: -525.739 where: short stacking energy: -244.928 Base-Backbone interact. energy: -0.776 local terms energy: -281.525938 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -57.075 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: -65.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -642.555870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.555870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.555870 (E_RNA) where: Base-Base interactions energy: -388.658 where: short stacking energy: -187.339 Base-Backbone interact. energy: -3.553 local terms energy: -250.344493 where: bonds (distance) C4'-P energy: -54.699 bonds (distance) P-C4' energy: -56.204 flat angles C4'-P-C4' energy: -56.130 flat angles P-C4'-P energy: -38.559 tors. eta vs tors. theta energy: -44.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -544.966844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.966844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.966844 (E_RNA) where: Base-Base interactions energy: -348.154 where: short stacking energy: -152.992 Base-Backbone interact. energy: -1.359 local terms energy: -195.454206 where: bonds (distance) C4'-P energy: -44.041 bonds (distance) P-C4' energy: -58.369 flat angles C4'-P-C4' energy: -45.064 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -12.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -363.732092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.732092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.732092 (E_RNA) where: Base-Base interactions energy: -195.921 where: short stacking energy: -116.191 Base-Backbone interact. energy: -0.317 local terms energy: -167.494007 where: bonds (distance) C4'-P energy: -50.734 bonds (distance) P-C4' energy: -53.196 flat angles C4'-P-C4' energy: -47.405 flat angles P-C4'-P energy: -19.898 tors. eta vs tors. theta energy: 3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -277.549959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.549959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.549959 (E_RNA) where: Base-Base interactions energy: -105.775 where: short stacking energy: -101.412 Base-Backbone interact. energy: -0.780 local terms energy: -170.995153 where: bonds (distance) C4'-P energy: -53.760 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -55.098 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: 13.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1127.733593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.733593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.733593 (E_RNA) where: Base-Base interactions energy: -775.476 where: short stacking energy: -318.039 Base-Backbone interact. energy: -2.642 local terms energy: -349.615618 where: bonds (distance) C4'-P energy: -69.605 bonds (distance) P-C4' energy: -62.914 flat angles C4'-P-C4' energy: -73.498 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -93.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1042.380688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.380688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.380688 (E_RNA) where: Base-Base interactions energy: -720.023 where: short stacking energy: -300.830 Base-Backbone interact. energy: -0.876 local terms energy: -321.481104 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -62.013 flat angles C4'-P-C4' energy: -68.551 flat angles P-C4'-P energy: -40.305 tors. eta vs tors. theta energy: -88.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1004.258834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.258834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.258834 (E_RNA) where: Base-Base interactions energy: -682.087 where: short stacking energy: -276.830 Base-Backbone interact. energy: -1.193 local terms energy: -320.979479 where: bonds (distance) C4'-P energy: -61.814 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -59.645 flat angles P-C4'-P energy: -56.178 tors. eta vs tors. theta energy: -85.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -987.721137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.721137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.721137 (E_RNA) where: Base-Base interactions energy: -666.048 where: short stacking energy: -296.104 Base-Backbone interact. energy: -0.198 local terms energy: -321.475555 where: bonds (distance) C4'-P energy: -53.522 bonds (distance) P-C4' energy: -67.688 flat angles C4'-P-C4' energy: -62.417 flat angles P-C4'-P energy: -47.865 tors. eta vs tors. theta energy: -89.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -902.764003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.764003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.764003 (E_RNA) where: Base-Base interactions energy: -600.037 where: short stacking energy: -267.453 Base-Backbone interact. energy: -1.173 local terms energy: -301.553192 where: bonds (distance) C4'-P energy: -64.266 bonds (distance) P-C4' energy: -57.839 flat angles C4'-P-C4' energy: -64.338 flat angles P-C4'-P energy: -40.136 tors. eta vs tors. theta energy: -74.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -820.374422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.374422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.374422 (E_RNA) where: Base-Base interactions energy: -557.184 where: short stacking energy: -257.841 Base-Backbone interact. energy: -1.311 local terms energy: -261.878988 where: bonds (distance) C4'-P energy: -36.677 bonds (distance) P-C4' energy: -47.031 flat angles C4'-P-C4' energy: -62.297 flat angles P-C4'-P energy: -50.478 tors. eta vs tors. theta energy: -65.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -685.893427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.893427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.893427 (E_RNA) where: Base-Base interactions energy: -443.725 where: short stacking energy: -214.496 Base-Backbone interact. energy: -0.628 local terms energy: -241.539688 where: bonds (distance) C4'-P energy: -65.649 bonds (distance) P-C4' energy: -45.136 flat angles C4'-P-C4' energy: -61.981 flat angles P-C4'-P energy: -26.590 tors. eta vs tors. theta energy: -42.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -592.097703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.097703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.097703 (E_RNA) where: Base-Base interactions energy: -362.048 where: short stacking energy: -178.487 Base-Backbone interact. energy: 1.627 local terms energy: -231.676765 where: bonds (distance) C4'-P energy: -37.734 bonds (distance) P-C4' energy: -51.569 flat angles C4'-P-C4' energy: -58.160 flat angles P-C4'-P energy: -51.071 tors. eta vs tors. theta energy: -33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -417.125272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.125272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.125272 (E_RNA) where: Base-Base interactions energy: -223.928 where: short stacking energy: -121.745 Base-Backbone interact. energy: -1.565 local terms energy: -191.632283 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -31.426 flat angles P-C4'-P energy: -37.483 tors. eta vs tors. theta energy: -11.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -299.853800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.853800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.853800 (E_RNA) where: Base-Base interactions energy: -139.284 where: short stacking energy: -86.805 Base-Backbone interact. energy: 1.633 local terms energy: -162.203100 where: bonds (distance) C4'-P energy: -47.602 bonds (distance) P-C4' energy: -53.274 flat angles C4'-P-C4' energy: -41.861 flat angles P-C4'-P energy: -22.675 tors. eta vs tors. theta energy: 3.209 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: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1151.215087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.215087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.215087 (E_RNA) where: Base-Base interactions energy: -816.866 where: short stacking energy: -332.316 Base-Backbone interact. energy: -1.726 local terms energy: -332.623292 where: bonds (distance) C4'-P energy: -67.840 bonds (distance) P-C4' energy: -63.136 flat angles C4'-P-C4' energy: -69.446 flat angles P-C4'-P energy: -39.029 tors. eta vs tors. theta energy: -93.173 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: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1049.254704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.254704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.254704 (E_RNA) where: Base-Base interactions energy: -704.302 where: short stacking energy: -301.053 Base-Backbone interact. energy: -0.687 local terms energy: -344.265374 where: bonds (distance) C4'-P energy: -59.679 bonds (distance) P-C4' energy: -74.088 flat angles C4'-P-C4' energy: -69.930 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: -89.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1024.113444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.113444 (E_RNA) where: Base-Base interactions energy: -690.285 where: short stacking energy: -305.982 Base-Backbone interact. energy: -0.845 local terms energy: -332.983140 where: bonds (distance) C4'-P energy: -64.670 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -66.556 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -93.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -994.589665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.589665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.589665 (E_RNA) where: Base-Base interactions energy: -666.821 where: short stacking energy: -294.223 Base-Backbone interact. energy: 3.409 local terms energy: -331.177681 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -86.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -907.016853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.016853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.016853 (E_RNA) where: Base-Base interactions energy: -602.784 where: short stacking energy: -251.922 Base-Backbone interact. energy: -0.860 local terms energy: -303.372901 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -62.794 flat angles P-C4'-P energy: -49.125 tors. eta vs tors. theta energy: -73.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -817.349763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.349763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.349763 (E_RNA) where: Base-Base interactions energy: -537.687 where: short stacking energy: -244.212 Base-Backbone interact. energy: 0.115 local terms energy: -279.778288 where: bonds (distance) C4'-P energy: -47.577 bonds (distance) P-C4' energy: -55.104 flat angles C4'-P-C4' energy: -64.076 flat angles P-C4'-P energy: -52.630 tors. eta vs tors. theta energy: -60.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -691.689809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.689809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.689809 (E_RNA) where: Base-Base interactions energy: -439.527 where: short stacking energy: -194.304 Base-Backbone interact. energy: 0.497 local terms energy: -252.660633 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -51.310 flat angles C4'-P-C4' energy: -60.724 flat angles P-C4'-P energy: -42.337 tors. eta vs tors. theta energy: -49.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -634.846521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.846521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.846521 (E_RNA) where: Base-Base interactions energy: -408.603 where: short stacking energy: -195.744 Base-Backbone interact. energy: -1.753 local terms energy: -224.491040 where: bonds (distance) C4'-P energy: -54.821 bonds (distance) P-C4' energy: -55.855 flat angles C4'-P-C4' energy: -60.820 flat angles P-C4'-P energy: -24.634 tors. eta vs tors. theta energy: -28.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -415.706774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.706774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.706774 (E_RNA) where: Base-Base interactions energy: -205.812 where: short stacking energy: -106.605 Base-Backbone interact. energy: -0.474 local terms energy: -209.420975 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -59.982 flat angles C4'-P-C4' energy: -57.662 flat angles P-C4'-P energy: -30.493 tors. eta vs tors. theta energy: -5.457 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: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -318.888906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.888906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.888906 (E_RNA) where: Base-Base interactions energy: -150.006 where: short stacking energy: -90.778 Base-Backbone interact. energy: -1.903 local terms energy: -166.980092 where: bonds (distance) C4'-P energy: -38.771 bonds (distance) P-C4' energy: -55.331 flat angles C4'-P-C4' energy: -52.221 flat angles P-C4'-P energy: -16.736 tors. eta vs tors. theta energy: -3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1130.132612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.132612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.132612 (E_RNA) where: Base-Base interactions energy: -790.188 where: short stacking energy: -317.676 Base-Backbone interact. energy: -1.793 local terms energy: -338.152075 where: bonds (distance) C4'-P energy: -62.117 bonds (distance) P-C4' energy: -66.217 flat angles C4'-P-C4' energy: -71.278 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -87.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1053.871024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.871024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.871024 (E_RNA) where: Base-Base interactions energy: -713.735 where: short stacking energy: -316.888 Base-Backbone interact. energy: -2.470 local terms energy: -337.666905 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -62.582 flat angles C4'-P-C4' energy: -73.508 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -87.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1040.972501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.972501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.972501 (E_RNA) where: Base-Base interactions energy: -686.756 where: short stacking energy: -327.239 Base-Backbone interact. energy: -2.584 local terms energy: -351.633074 where: bonds (distance) C4'-P energy: -67.658 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -56.090 tors. eta vs tors. theta energy: -93.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -994.826135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.826135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.826135 (E_RNA) where: Base-Base interactions energy: -685.539 where: short stacking energy: -301.993 Base-Backbone interact. energy: 0.532 local terms energy: -309.819180 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -53.587 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -50.262 tors. eta vs tors. theta energy: -87.212 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: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -898.599700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.599700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.599700 (E_RNA) where: Base-Base interactions energy: -590.405 where: short stacking energy: -277.867 Base-Backbone interact. energy: -1.707 local terms energy: -306.487621 where: bonds (distance) C4'-P energy: -53.505 bonds (distance) P-C4' energy: -62.875 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -38.474 tors. eta vs tors. theta energy: -79.133 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: 8 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -818.639371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.639371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.639371 (E_RNA) where: Base-Base interactions energy: -529.749 where: short stacking energy: -221.439 Base-Backbone interact. energy: -0.769 local terms energy: -288.121046 where: bonds (distance) C4'-P energy: -69.114 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -62.152 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -57.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -673.963603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.963603 (E_RNA) where: Base-Base interactions energy: -414.397 where: short stacking energy: -200.296 Base-Backbone interact. energy: -1.486 local terms energy: -258.080667 where: bonds (distance) C4'-P energy: -54.136 bonds (distance) P-C4' energy: -55.715 flat angles C4'-P-C4' energy: -72.174 flat angles P-C4'-P energy: -32.057 tors. eta vs tors. theta energy: -44.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -593.111687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.111687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.111687 (E_RNA) where: Base-Base interactions energy: -362.244 where: short stacking energy: -183.267 Base-Backbone interact. energy: -3.170 local terms energy: -227.698577 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -50.479 flat angles C4'-P-C4' energy: -62.823 flat angles P-C4'-P energy: -29.017 tors. eta vs tors. theta energy: -34.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -426.721454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.721454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.721454 (E_RNA) where: Base-Base interactions energy: -245.883 where: short stacking energy: -132.246 Base-Backbone interact. energy: -1.972 local terms energy: -178.866800 where: bonds (distance) C4'-P energy: -48.919 bonds (distance) P-C4' energy: -49.687 flat angles C4'-P-C4' energy: -40.058 flat angles P-C4'-P energy: -24.693 tors. eta vs tors. theta energy: -15.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -330.494284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.494284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.494284 (E_RNA) where: Base-Base interactions energy: -139.673 where: short stacking energy: -90.006 Base-Backbone interact. energy: -3.464 local terms energy: -187.357371 where: bonds (distance) C4'-P energy: -60.897 bonds (distance) P-C4' energy: -46.573 flat angles C4'-P-C4' energy: -49.788 flat angles P-C4'-P energy: -35.555 tors. eta vs tors. theta energy: 5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1121.486997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.486997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.486997 (E_RNA) where: Base-Base interactions energy: -783.187 where: short stacking energy: -315.305 Base-Backbone interact. energy: -0.955 local terms energy: -337.345534 where: bonds (distance) C4'-P energy: -59.733 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -78.167 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -93.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1048.591974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.591974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.591974 (E_RNA) where: Base-Base interactions energy: -708.085 where: short stacking energy: -324.149 Base-Backbone interact. energy: -0.173 local terms energy: -340.334549 where: bonds (distance) C4'-P energy: -59.589 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -93.065 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: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1027.113749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.113749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.113749 (E_RNA) where: Base-Base interactions energy: -693.930 where: short stacking energy: -309.726 Base-Backbone interact. energy: -0.399 local terms energy: -332.785044 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -58.821 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -99.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -993.286190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.286190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.286190 (E_RNA) where: Base-Base interactions energy: -654.606 where: short stacking energy: -279.604 Base-Backbone interact. energy: -2.284 local terms energy: -336.395771 where: bonds (distance) C4'-P energy: -67.757 bonds (distance) P-C4' energy: -58.434 flat angles C4'-P-C4' energy: -75.299 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -87.386 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: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -853.620243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.620243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.620243 (E_RNA) where: Base-Base interactions energy: -589.094 where: short stacking energy: -260.516 Base-Backbone interact. energy: -0.542 local terms energy: -263.984425 where: bonds (distance) C4'-P energy: -45.331 bonds (distance) P-C4' energy: -52.333 flat angles C4'-P-C4' energy: -52.597 flat angles P-C4'-P energy: -45.530 tors. eta vs tors. theta energy: -68.193 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: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -867.670127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.670127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.670127 (E_RNA) where: Base-Base interactions energy: -597.091 where: short stacking energy: -252.212 Base-Backbone interact. energy: 2.173 local terms energy: -272.752421 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -54.798 flat angles C4'-P-C4' energy: -52.921 flat angles P-C4'-P energy: -42.679 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: 3 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -654.968274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.968274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.968274 (E_RNA) where: Base-Base interactions energy: -408.723 where: short stacking energy: -190.825 Base-Backbone interact. energy: -2.328 local terms energy: -243.917158 where: bonds (distance) C4'-P energy: -53.000 bonds (distance) P-C4' energy: -53.883 flat angles C4'-P-C4' energy: -59.536 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -40.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -570.475079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.475079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.475079 (E_RNA) where: Base-Base interactions energy: -343.200 where: short stacking energy: -157.276 Base-Backbone interact. energy: 4.531 local terms energy: -231.805871 where: bonds (distance) C4'-P energy: -51.930 bonds (distance) P-C4' energy: -50.264 flat angles C4'-P-C4' energy: -62.293 flat angles P-C4'-P energy: -39.900 tors. eta vs tors. theta energy: -27.419 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: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -368.475882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.475882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.475882 (E_RNA) where: Base-Base interactions energy: -168.195 where: short stacking energy: -90.994 Base-Backbone interact. energy: -0.142 local terms energy: -200.138639 where: bonds (distance) C4'-P energy: -70.673 bonds (distance) P-C4' energy: -50.312 flat angles C4'-P-C4' energy: -42.451 flat angles P-C4'-P energy: -27.784 tors. eta vs tors. theta energy: -8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -383.458229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.458229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.458229 (E_RNA) where: Base-Base interactions energy: -187.290 where: short stacking energy: -111.974 Base-Backbone interact. energy: 0.525 local terms energy: -196.693561 where: bonds (distance) C4'-P energy: -44.258 bonds (distance) P-C4' energy: -60.318 flat angles C4'-P-C4' energy: -55.677 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1118.023970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.023970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.023970 (E_RNA) where: Base-Base interactions energy: -767.431 where: short stacking energy: -321.050 Base-Backbone interact. energy: -0.765 local terms energy: -349.828161 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -73.576 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -92.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1044.165142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.165142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.165142 (E_RNA) where: Base-Base interactions energy: -704.528 where: short stacking energy: -313.125 Base-Backbone interact. energy: -0.923 local terms energy: -338.714344 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -60.584 flat angles C4'-P-C4' energy: -76.703 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -88.978 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: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1001.607827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.607827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.607827 (E_RNA) where: Base-Base interactions energy: -681.694 where: short stacking energy: -299.989 Base-Backbone interact. energy: -0.826 local terms energy: -319.087118 where: bonds (distance) C4'-P energy: -57.819 bonds (distance) P-C4' energy: -58.008 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -85.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -985.435702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.435702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.435702 (E_RNA) where: Base-Base interactions energy: -673.133 where: short stacking energy: -283.964 Base-Backbone interact. energy: -3.763 local terms energy: -308.539305 where: bonds (distance) C4'-P energy: -59.313 bonds (distance) P-C4' energy: -52.217 flat angles C4'-P-C4' energy: -66.166 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: -91.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -856.333631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.333631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.333631 (E_RNA) where: Base-Base interactions energy: -576.318 where: short stacking energy: -235.774 Base-Backbone interact. energy: 0.176 local terms energy: -280.191803 where: bonds (distance) C4'-P energy: -49.343 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -59.723 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -64.026 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: 251 Temperature: 1.150000 Total energy: -873.283416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.283416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.283416 (E_RNA) where: Base-Base interactions energy: -600.170 where: short stacking energy: -259.489 Base-Backbone interact. energy: -0.943 local terms energy: -272.169889 where: bonds (distance) C4'-P energy: -51.966 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -65.951 flat angles P-C4'-P energy: -28.456 tors. eta vs tors. theta energy: -73.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -682.465124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.465124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.465124 (E_RNA) where: Base-Base interactions energy: -446.351 where: short stacking energy: -212.557 Base-Backbone interact. energy: -0.819 local terms energy: -235.295955 where: bonds (distance) C4'-P energy: -42.894 bonds (distance) P-C4' energy: -49.388 flat angles C4'-P-C4' energy: -50.722 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -54.635 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: 251 Temperature: 1.250000 Total energy: -519.688358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.688358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.688358 (E_RNA) where: Base-Base interactions energy: -313.933 where: short stacking energy: -159.958 Base-Backbone interact. energy: -2.183 local terms energy: -203.571567 where: bonds (distance) C4'-P energy: -41.166 bonds (distance) P-C4' energy: -51.356 flat angles C4'-P-C4' energy: -46.744 flat angles P-C4'-P energy: -38.783 tors. eta vs tors. theta energy: -25.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -420.576432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.576432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.576432 (E_RNA) where: Base-Base interactions energy: -226.552 where: short stacking energy: -119.104 Base-Backbone interact. energy: -0.299 local terms energy: -193.726180 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -54.043 flat angles C4'-P-C4' energy: -44.083 flat angles P-C4'-P energy: -32.506 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -337.318520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.318520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.318520 (E_RNA) where: Base-Base interactions energy: -141.407 where: short stacking energy: -91.532 Base-Backbone interact. energy: -0.745 local terms energy: -195.165673 where: bonds (distance) C4'-P energy: -55.655 bonds (distance) P-C4' energy: -56.542 flat angles C4'-P-C4' energy: -57.432 flat angles P-C4'-P energy: -29.542 tors. eta vs tors. theta energy: 4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1104.152728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.152728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.152728 (E_RNA) where: Base-Base interactions energy: -775.612 where: short stacking energy: -327.871 Base-Backbone interact. energy: -1.897 local terms energy: -326.643682 where: bonds (distance) C4'-P energy: -61.083 bonds (distance) P-C4' energy: -62.708 flat angles C4'-P-C4' energy: -59.880 flat angles P-C4'-P energy: -49.586 tors. eta vs tors. theta energy: -93.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1027.028902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.028902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.028902 (E_RNA) where: Base-Base interactions energy: -697.452 where: short stacking energy: -298.651 Base-Backbone interact. energy: 0.189 local terms energy: -329.765366 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -67.538 flat angles P-C4'-P energy: -48.374 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1006.934946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.934946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.934946 (E_RNA) where: Base-Base interactions energy: -655.162 where: short stacking energy: -289.383 Base-Backbone interact. energy: -2.336 local terms energy: -349.437383 where: bonds (distance) C4'-P energy: -70.891 bonds (distance) P-C4' energy: -63.716 flat angles C4'-P-C4' energy: -75.226 flat angles P-C4'-P energy: -46.595 tors. eta vs tors. theta energy: -93.010 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: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -969.100544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.100544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.100544 (E_RNA) where: Base-Base interactions energy: -667.051 where: short stacking energy: -305.354 Base-Backbone interact. energy: 1.233 local terms energy: -303.283158 where: bonds (distance) C4'-P energy: -49.962 bonds (distance) P-C4' energy: -58.227 flat angles C4'-P-C4' energy: -66.923 flat angles P-C4'-P energy: -36.063 tors. eta vs tors. theta energy: -92.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -875.056116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.056116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.056116 (E_RNA) where: Base-Base interactions energy: -580.419 where: short stacking energy: -261.660 Base-Backbone interact. energy: -0.755 local terms energy: -293.881512 where: bonds (distance) C4'-P energy: -59.230 bonds (distance) P-C4' energy: -55.556 flat angles C4'-P-C4' energy: -68.776 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -67.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -828.788973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.788973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.788973 (E_RNA) where: Base-Base interactions energy: -544.416 where: short stacking energy: -234.062 Base-Backbone interact. energy: -1.330 local terms energy: -283.042974 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -58.675 flat angles C4'-P-C4' energy: -65.798 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -57.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -695.925929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.925929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.925929 (E_RNA) where: Base-Base interactions energy: -438.247 where: short stacking energy: -208.037 Base-Backbone interact. energy: 0.454 local terms energy: -258.133807 where: bonds (distance) C4'-P energy: -48.987 bonds (distance) P-C4' energy: -53.192 flat angles C4'-P-C4' energy: -57.638 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -55.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -517.778515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.778515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.778515 (E_RNA) where: Base-Base interactions energy: -278.424 where: short stacking energy: -125.029 Base-Backbone interact. energy: 1.130 local terms energy: -240.484522 where: bonds (distance) C4'-P energy: -56.350 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -58.677 flat angles P-C4'-P energy: -41.206 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -365.288413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.288413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.288413 (E_RNA) where: Base-Base interactions energy: -186.464 where: short stacking energy: -115.098 Base-Backbone interact. energy: 0.698 local terms energy: -179.523063 where: bonds (distance) C4'-P energy: -50.285 bonds (distance) P-C4' energy: -56.040 flat angles C4'-P-C4' energy: -45.099 flat angles P-C4'-P energy: -23.539 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -337.164100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.164100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.164100 (E_RNA) where: Base-Base interactions energy: -163.231 where: short stacking energy: -113.107 Base-Backbone interact. energy: -1.102 local terms energy: -172.830849 where: bonds (distance) C4'-P energy: -45.481 bonds (distance) P-C4' energy: -48.165 flat angles C4'-P-C4' energy: -46.178 flat angles P-C4'-P energy: -23.724 tors. eta vs tors. theta energy: -9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1112.411278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.411278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.411278 (E_RNA) where: Base-Base interactions energy: -774.629 where: short stacking energy: -318.410 Base-Backbone interact. energy: -1.347 local terms energy: -336.435186 where: bonds (distance) C4'-P energy: -65.108 bonds (distance) P-C4' energy: -60.967 flat angles C4'-P-C4' energy: -63.506 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -92.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1039.205576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.205576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.205576 (E_RNA) where: Base-Base interactions energy: -684.790 where: short stacking energy: -328.917 Base-Backbone interact. energy: -2.347 local terms energy: -352.068027 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -76.667 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -95.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -982.379490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.379490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.379490 (E_RNA) where: Base-Base interactions energy: -669.146 where: short stacking energy: -292.995 Base-Backbone interact. energy: -0.208 local terms energy: -313.025260 where: bonds (distance) C4'-P energy: -58.265 bonds (distance) P-C4' energy: -54.568 flat angles C4'-P-C4' energy: -70.188 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -84.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -992.717033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.717033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.717033 (E_RNA) where: Base-Base interactions energy: -666.643 where: short stacking energy: -296.502 Base-Backbone interact. energy: -1.245 local terms energy: -324.829188 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: -88.476 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: 9 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -871.386527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.386527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.386527 (E_RNA) where: Base-Base interactions energy: -579.151 where: short stacking energy: -253.075 Base-Backbone interact. energy: -3.167 local terms energy: -289.068464 where: bonds (distance) C4'-P energy: -55.661 bonds (distance) P-C4' energy: -60.714 flat angles C4'-P-C4' energy: -53.215 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -70.762 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -837.510051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.510051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.510051 (E_RNA) where: Base-Base interactions energy: -559.385 where: short stacking energy: -229.576 Base-Backbone interact. energy: 4.016 local terms energy: -282.141136 where: bonds (distance) C4'-P energy: -65.478 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -59.202 flat angles P-C4'-P energy: -41.583 tors. eta vs tors. theta energy: -52.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -699.648848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.648848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.648848 (E_RNA) where: Base-Base interactions energy: -429.712 where: short stacking energy: -197.157 Base-Backbone interact. energy: -0.639 local terms energy: -269.297862 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -60.320 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -49.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -505.263432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.263432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.263432 (E_RNA) where: Base-Base interactions energy: -303.877 where: short stacking energy: -160.902 Base-Backbone interact. energy: 0.075 local terms energy: -201.461472 where: bonds (distance) C4'-P energy: -45.692 bonds (distance) P-C4' energy: -53.852 flat angles C4'-P-C4' energy: -57.286 flat angles P-C4'-P energy: -15.080 tors. eta vs tors. theta energy: -29.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -368.676872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.676872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.676872 (E_RNA) where: Base-Base interactions energy: -161.147 where: short stacking energy: -97.819 Base-Backbone interact. energy: 0.080 local terms energy: -207.610143 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -57.583 flat angles C4'-P-C4' energy: -51.275 flat angles P-C4'-P energy: -28.785 tors. eta vs tors. theta energy: -8.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -351.114950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.114950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.114950 (E_RNA) where: Base-Base interactions energy: -166.630 where: short stacking energy: -81.958 Base-Backbone interact. energy: -1.338 local terms energy: -183.147394 where: bonds (distance) C4'-P energy: -48.959 bonds (distance) P-C4' energy: -64.667 flat angles C4'-P-C4' energy: -48.624 flat angles P-C4'-P energy: -23.675 tors. eta vs tors. theta energy: 2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1125.031421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.031421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.031421 (E_RNA) where: Base-Base interactions energy: -789.763 where: short stacking energy: -326.855 Base-Backbone interact. energy: 0.036 local terms energy: -335.303901 where: bonds (distance) C4'-P energy: -63.416 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -86.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1038.301076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.301076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.301076 (E_RNA) where: Base-Base interactions energy: -682.328 where: short stacking energy: -329.149 Base-Backbone interact. energy: -1.801 local terms energy: -354.172269 where: bonds (distance) C4'-P energy: -60.729 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -57.179 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: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1027.550772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.550772 (E_RNA) where: Base-Base interactions energy: -693.807 where: short stacking energy: -316.775 Base-Backbone interact. energy: -0.751 local terms energy: -332.992781 where: bonds (distance) C4'-P energy: -62.198 bonds (distance) P-C4' energy: -59.015 flat angles C4'-P-C4' energy: -71.483 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -93.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -994.630092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.630092 (E_RNA) where: Base-Base interactions energy: -660.454 where: short stacking energy: -314.364 Base-Backbone interact. energy: 0.767 local terms energy: -334.942231 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -71.058 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -93.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -902.744962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.744962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.744962 (E_RNA) where: Base-Base interactions energy: -600.770 where: short stacking energy: -282.227 Base-Backbone interact. energy: -0.234 local terms energy: -301.741106 where: bonds (distance) C4'-P energy: -58.496 bonds (distance) P-C4' energy: -58.404 flat angles C4'-P-C4' energy: -70.192 flat angles P-C4'-P energy: -31.257 tors. eta vs tors. theta energy: -83.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -823.876153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.876153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.876153 (E_RNA) where: Base-Base interactions energy: -565.025 where: short stacking energy: -236.347 Base-Backbone interact. energy: -0.485 local terms energy: -258.366064 where: bonds (distance) C4'-P energy: -40.201 bonds (distance) P-C4' energy: -50.754 flat angles C4'-P-C4' energy: -65.419 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -62.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -733.516535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.516535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.516535 (E_RNA) where: Base-Base interactions energy: -466.344 where: short stacking energy: -199.224 Base-Backbone interact. energy: -0.276 local terms energy: -266.896426 where: bonds (distance) C4'-P energy: -50.772 bonds (distance) P-C4' energy: -64.330 flat angles C4'-P-C4' energy: -68.279 flat angles P-C4'-P energy: -41.082 tors. eta vs tors. theta energy: -42.433 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: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -513.761829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.761829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.761829 (E_RNA) where: Base-Base interactions energy: -311.258 where: short stacking energy: -162.000 Base-Backbone interact. energy: 2.300 local terms energy: -204.803770 where: bonds (distance) C4'-P energy: -49.585 bonds (distance) P-C4' energy: -48.523 flat angles C4'-P-C4' energy: -56.021 flat angles P-C4'-P energy: -32.855 tors. eta vs tors. theta energy: -17.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -379.012487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.012487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.012487 (E_RNA) where: Base-Base interactions energy: -183.711 where: short stacking energy: -132.687 Base-Backbone interact. energy: -1.067 local terms energy: -194.234548 where: bonds (distance) C4'-P energy: -50.353 bonds (distance) P-C4' energy: -52.000 flat angles C4'-P-C4' energy: -38.937 flat angles P-C4'-P energy: -31.636 tors. eta vs tors. theta energy: -21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -276.317756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.317756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.317756 (E_RNA) where: Base-Base interactions energy: -104.995 where: short stacking energy: -77.870 Base-Backbone interact. energy: -1.811 local terms energy: -169.512042 where: bonds (distance) C4'-P energy: -56.187 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -41.157 flat angles P-C4'-P energy: -33.130 tors. eta vs tors. theta energy: 13.304 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: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1125.904854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.904854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.904854 (E_RNA) where: Base-Base interactions energy: -797.003 where: short stacking energy: -325.847 Base-Backbone interact. energy: -1.418 local terms energy: -327.482992 where: bonds (distance) C4'-P energy: -61.295 bonds (distance) P-C4' energy: -61.539 flat angles C4'-P-C4' energy: -76.877 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -83.321 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: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1032.866017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.866017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.866017 (E_RNA) where: Base-Base interactions energy: -676.055 where: short stacking energy: -319.797 Base-Backbone interact. energy: -0.738 local terms energy: -356.073462 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -72.198 flat angles C4'-P-C4' energy: -80.676 flat angles P-C4'-P energy: -46.904 tors. eta vs tors. theta energy: -101.671 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: 255 Temperature: 1.000000 Total energy: -1007.881247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.881247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.881247 (E_RNA) where: Base-Base interactions energy: -670.111 where: short stacking energy: -305.373 Base-Backbone interact. energy: -1.230 local terms energy: -336.540591 where: bonds (distance) C4'-P energy: -59.583 bonds (distance) P-C4' energy: -61.640 flat angles C4'-P-C4' energy: -73.265 flat angles P-C4'-P energy: -50.790 tors. eta vs tors. theta energy: -91.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -994.732961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.732961 (E_RNA) where: Base-Base interactions energy: -664.473 where: short stacking energy: -277.262 Base-Backbone interact. energy: -1.003 local terms energy: -329.256940 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -71.414 flat angles P-C4'-P energy: -45.787 tors. eta vs tors. theta energy: -80.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -912.365865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.365865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.365865 (E_RNA) where: Base-Base interactions energy: -606.777 where: short stacking energy: -275.251 Base-Backbone interact. energy: 1.265 local terms energy: -306.854074 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -57.120 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -76.271 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: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -877.520494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.520494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.520494 (E_RNA) where: Base-Base interactions energy: -604.648 where: short stacking energy: -255.634 Base-Backbone interact. energy: 3.365 local terms energy: -276.236856 where: bonds (distance) C4'-P energy: -52.529 bonds (distance) P-C4' energy: -53.426 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -66.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -719.285748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.285748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.285748 (E_RNA) where: Base-Base interactions energy: -461.597 where: short stacking energy: -194.127 Base-Backbone interact. energy: 2.074 local terms energy: -259.762669 where: bonds (distance) C4'-P energy: -54.547 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -49.056 flat angles P-C4'-P energy: -43.353 tors. eta vs tors. theta energy: -48.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -490.691091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.691091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.691091 (E_RNA) where: Base-Base interactions energy: -284.229 where: short stacking energy: -130.319 Base-Backbone interact. energy: -0.994 local terms energy: -205.468362 where: bonds (distance) C4'-P energy: -47.183 bonds (distance) P-C4' energy: -51.984 flat angles C4'-P-C4' energy: -55.925 flat angles P-C4'-P energy: -31.566 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -357.947522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.947522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.947522 (E_RNA) where: Base-Base interactions energy: -174.767 where: short stacking energy: -104.444 Base-Backbone interact. energy: -0.974 local terms energy: -182.206844 where: bonds (distance) C4'-P energy: -44.975 bonds (distance) P-C4' energy: -55.932 flat angles C4'-P-C4' energy: -48.389 flat angles P-C4'-P energy: -37.808 tors. eta vs tors. theta energy: 4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -293.363038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.363038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.363038 (E_RNA) where: Base-Base interactions energy: -125.600 where: short stacking energy: -95.026 Base-Backbone interact. energy: 0.362 local terms energy: -168.124869 where: bonds (distance) C4'-P energy: -46.859 bonds (distance) P-C4' energy: -53.437 flat angles C4'-P-C4' energy: -48.514 flat angles P-C4'-P energy: -29.036 tors. eta vs tors. theta energy: 9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1132.657534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.657534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.657534 (E_RNA) where: Base-Base interactions energy: -797.866 where: short stacking energy: -332.325 Base-Backbone interact. energy: 0.598 local terms energy: -335.390091 where: bonds (distance) C4'-P energy: -67.330 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -76.306 flat angles P-C4'-P energy: -41.408 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: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1037.009709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.009709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.009709 (E_RNA) where: Base-Base interactions energy: -703.428 where: short stacking energy: -318.097 Base-Backbone interact. energy: 0.143 local terms energy: -333.725486 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -60.049 flat angles C4'-P-C4' energy: -66.700 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -93.653 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: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1024.490303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.490303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.490303 (E_RNA) where: Base-Base interactions energy: -702.588 where: short stacking energy: -290.324 Base-Backbone interact. energy: -0.834 local terms energy: -321.067982 where: bonds (distance) C4'-P energy: -51.591 bonds (distance) P-C4' energy: -63.819 flat angles C4'-P-C4' energy: -65.713 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -82.424 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: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1005.710164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.710164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.710164 (E_RNA) where: Base-Base interactions energy: -685.347 where: short stacking energy: -295.400 Base-Backbone interact. energy: 1.178 local terms energy: -321.541438 where: bonds (distance) C4'-P energy: -55.081 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -84.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -893.557928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.557928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.557928 (E_RNA) where: Base-Base interactions energy: -598.305 where: short stacking energy: -266.882 Base-Backbone interact. energy: 0.521 local terms energy: -295.773382 where: bonds (distance) C4'-P energy: -49.778 bonds (distance) P-C4' energy: -58.780 flat angles C4'-P-C4' energy: -69.525 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -69.979 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: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -807.305896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.305896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.305896 (E_RNA) where: Base-Base interactions energy: -539.708 where: short stacking energy: -226.461 Base-Backbone interact. energy: -1.444 local terms energy: -266.152968 where: bonds (distance) C4'-P energy: -50.262 bonds (distance) P-C4' energy: -59.878 flat angles C4'-P-C4' energy: -54.898 flat angles P-C4'-P energy: -31.318 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: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -721.909572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.909572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.909572 (E_RNA) where: Base-Base interactions energy: -462.775 where: short stacking energy: -201.292 Base-Backbone interact. energy: -1.493 local terms energy: -257.641856 where: bonds (distance) C4'-P energy: -51.789 bonds (distance) P-C4' energy: -59.507 flat angles C4'-P-C4' energy: -62.436 flat angles P-C4'-P energy: -40.798 tors. eta vs tors. theta energy: -43.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -520.138214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.138214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.138214 (E_RNA) where: Base-Base interactions energy: -292.179 where: short stacking energy: -149.274 Base-Backbone interact. energy: -0.809 local terms energy: -227.150074 where: bonds (distance) C4'-P energy: -58.467 bonds (distance) P-C4' energy: -64.868 flat angles C4'-P-C4' energy: -49.065 flat angles P-C4'-P energy: -34.539 tors. eta vs tors. theta energy: -20.212 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: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -302.603335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.603335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.603335 (E_RNA) where: Base-Base interactions energy: -105.445 where: short stacking energy: -75.702 Base-Backbone interact. energy: -0.946 local terms energy: -196.213186 where: bonds (distance) C4'-P energy: -55.494 bonds (distance) P-C4' energy: -55.806 flat angles C4'-P-C4' energy: -51.568 flat angles P-C4'-P energy: -31.287 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -339.853997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.853997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.853997 (E_RNA) where: Base-Base interactions energy: -158.102 where: short stacking energy: -95.049 Base-Backbone interact. energy: -2.997 local terms energy: -178.755339 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -38.339 flat angles C4'-P-C4' energy: -52.336 flat angles P-C4'-P energy: -31.402 tors. eta vs tors. theta energy: 2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1113.327626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.327626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.327626 (E_RNA) where: Base-Base interactions energy: -755.643 where: short stacking energy: -322.490 Base-Backbone interact. energy: 1.562 local terms energy: -359.245954 where: bonds (distance) C4'-P energy: -67.249 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -66.794 flat angles P-C4'-P energy: -55.004 tors. eta vs tors. theta energy: -96.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1036.370775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.370775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.370775 (E_RNA) where: Base-Base interactions energy: -691.824 where: short stacking energy: -324.506 Base-Backbone interact. energy: -1.361 local terms energy: -343.186424 where: bonds (distance) C4'-P energy: -66.132 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -70.634 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -98.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1014.938490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.938490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.938490 (E_RNA) where: Base-Base interactions energy: -685.077 where: short stacking energy: -301.985 Base-Backbone interact. energy: 0.598 local terms energy: -330.460123 where: bonds (distance) C4'-P energy: -60.201 bonds (distance) P-C4' energy: -59.179 flat angles C4'-P-C4' energy: -68.059 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -92.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -988.432999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.432999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.432999 (E_RNA) where: Base-Base interactions energy: -646.261 where: short stacking energy: -293.858 Base-Backbone interact. energy: -1.368 local terms energy: -340.803999 where: bonds (distance) C4'-P energy: -72.421 bonds (distance) P-C4' energy: -60.484 flat angles C4'-P-C4' energy: -73.909 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -921.379977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.379977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.379977 (E_RNA) where: Base-Base interactions energy: -610.734 where: short stacking energy: -271.573 Base-Backbone interact. energy: 0.042 local terms energy: -310.687780 where: bonds (distance) C4'-P energy: -49.263 bonds (distance) P-C4' energy: -63.587 flat angles C4'-P-C4' energy: -63.470 flat angles P-C4'-P energy: -51.581 tors. eta vs tors. theta energy: -82.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -796.506801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.506801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.506801 (E_RNA) where: Base-Base interactions energy: -535.288 where: short stacking energy: -228.602 Base-Backbone interact. energy: 0.583 local terms energy: -261.801985 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -65.908 flat angles C4'-P-C4' energy: -57.086 flat angles P-C4'-P energy: -33.265 tors. eta vs tors. theta energy: -45.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -761.235773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.235773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.235773 (E_RNA) where: Base-Base interactions energy: -472.167 where: short stacking energy: -209.627 Base-Backbone interact. energy: -3.173 local terms energy: -285.895938 where: bonds (distance) C4'-P energy: -66.282 bonds (distance) P-C4' energy: -58.275 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -42.975 tors. eta vs tors. theta energy: -58.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -515.349869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.349869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.349869 (E_RNA) where: Base-Base interactions energy: -302.446 where: short stacking energy: -134.393 Base-Backbone interact. energy: 2.325 local terms energy: -215.228548 where: bonds (distance) C4'-P energy: -52.197 bonds (distance) P-C4' energy: -60.397 flat angles C4'-P-C4' energy: -60.708 flat angles P-C4'-P energy: -27.112 tors. eta vs tors. theta energy: -14.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -305.680419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.680419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.680419 (E_RNA) where: Base-Base interactions energy: -112.274 where: short stacking energy: -91.658 Base-Backbone interact. energy: -1.102 local terms energy: -192.303766 where: bonds (distance) C4'-P energy: -56.475 bonds (distance) P-C4' energy: -53.937 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -20.033 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -352.213815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.213815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.213815 (E_RNA) where: Base-Base interactions energy: -171.726 where: short stacking energy: -109.747 Base-Backbone interact. energy: 0.066 local terms energy: -180.554586 where: bonds (distance) C4'-P energy: -52.454 bonds (distance) P-C4' energy: -47.672 flat angles C4'-P-C4' energy: -47.903 flat angles P-C4'-P energy: -20.803 tors. eta vs tors. theta energy: -11.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1111.273893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.273893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.273893 (E_RNA) where: Base-Base interactions energy: -764.895 where: short stacking energy: -313.825 Base-Backbone interact. energy: 0.624 local terms energy: -347.002976 where: bonds (distance) C4'-P energy: -55.086 bonds (distance) P-C4' energy: -66.528 flat angles C4'-P-C4' energy: -78.350 flat angles P-C4'-P energy: -50.982 tors. eta vs tors. theta energy: -96.056 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: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1009.363178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.363178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.363178 (E_RNA) where: Base-Base interactions energy: -668.840 where: short stacking energy: -308.921 Base-Backbone interact. energy: -0.819 local terms energy: -339.704801 where: bonds (distance) C4'-P energy: -63.117 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -72.873 flat angles P-C4'-P energy: -48.675 tors. eta vs tors. theta energy: -91.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1006.584338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.584338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.584338 (E_RNA) where: Base-Base interactions energy: -698.982 where: short stacking energy: -303.059 Base-Backbone interact. energy: 1.018 local terms energy: -308.620576 where: bonds (distance) C4'-P energy: -51.780 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -56.358 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -89.543 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: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1001.111303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.111303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.111303 (E_RNA) where: Base-Base interactions energy: -668.193 where: short stacking energy: -308.284 Base-Backbone interact. energy: -1.055 local terms energy: -331.863820 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -52.259 flat angles C4'-P-C4' energy: -70.925 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -91.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -917.345951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.345951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.345951 (E_RNA) where: Base-Base interactions energy: -616.440 where: short stacking energy: -286.915 Base-Backbone interact. energy: 0.571 local terms energy: -301.476434 where: bonds (distance) C4'-P energy: -49.570 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -48.249 tors. eta vs tors. theta energy: -74.325 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: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -832.062429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.062429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.062429 (E_RNA) where: Base-Base interactions energy: -560.953 where: short stacking energy: -234.360 Base-Backbone interact. energy: -0.896 local terms energy: -270.213959 where: bonds (distance) C4'-P energy: -52.492 bonds (distance) P-C4' energy: -53.664 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -42.502 tors. eta vs tors. theta energy: -57.368 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: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -786.414332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.414332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.414332 (E_RNA) where: Base-Base interactions energy: -506.553 where: short stacking energy: -242.865 Base-Backbone interact. energy: -0.370 local terms energy: -279.491261 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -63.764 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -40.280 tors. eta vs tors. theta energy: -60.847 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: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -530.745059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.745059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.745059 (E_RNA) where: Base-Base interactions energy: -285.435 where: short stacking energy: -143.704 Base-Backbone interact. energy: 0.907 local terms energy: -246.217366 where: bonds (distance) C4'-P energy: -68.351 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -54.813 flat angles P-C4'-P energy: -43.029 tors. eta vs tors. theta energy: -17.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -388.921495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.921495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.921495 (E_RNA) where: Base-Base interactions energy: -199.324 where: short stacking energy: -126.931 Base-Backbone interact. energy: -1.460 local terms energy: -188.136882 where: bonds (distance) C4'-P energy: -48.530 bonds (distance) P-C4' energy: -61.223 flat angles C4'-P-C4' energy: -37.086 flat angles P-C4'-P energy: -28.820 tors. eta vs tors. theta energy: -12.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -277.112617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.112617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.112617 (E_RNA) where: Base-Base interactions energy: -97.043 where: short stacking energy: -68.056 Base-Backbone interact. energy: 4.030 local terms energy: -184.099552 where: bonds (distance) C4'-P energy: -60.124 bonds (distance) P-C4' energy: -55.938 flat angles C4'-P-C4' energy: -46.551 flat angles P-C4'-P energy: -27.631 tors. eta vs tors. theta energy: 6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1108.157343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.157343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.157343 (E_RNA) where: Base-Base interactions energy: -768.817 where: short stacking energy: -327.340 Base-Backbone interact. energy: 0.273 local terms energy: -339.613071 where: bonds (distance) C4'-P energy: -65.598 bonds (distance) P-C4' energy: -67.470 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -88.856 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: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1029.497718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.497718 (E_RNA) where: Base-Base interactions energy: -669.531 where: short stacking energy: -305.340 Base-Backbone interact. energy: -1.285 local terms energy: -358.681163 where: bonds (distance) C4'-P energy: -62.416 bonds (distance) P-C4' energy: -76.669 flat angles C4'-P-C4' energy: -69.632 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -101.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1020.093314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.093314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.093314 (E_RNA) where: Base-Base interactions energy: -693.846 where: short stacking energy: -287.770 Base-Backbone interact. energy: -1.440 local terms energy: -324.806668 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -69.204 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -976.367007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.367007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.367007 (E_RNA) where: Base-Base interactions energy: -658.090 where: short stacking energy: -294.620 Base-Backbone interact. energy: -1.855 local terms energy: -316.421735 where: bonds (distance) C4'-P energy: -54.695 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -47.249 tors. eta vs tors. theta energy: -85.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -891.039312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.039312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.039312 (E_RNA) where: Base-Base interactions energy: -591.681 where: short stacking energy: -267.385 Base-Backbone interact. energy: -1.109 local terms energy: -298.248475 where: bonds (distance) C4'-P energy: -59.254 bonds (distance) P-C4' energy: -58.190 flat angles C4'-P-C4' energy: -63.102 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -74.165 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: 259 Temperature: 1.150000 Total energy: -839.862466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.862466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.862466 (E_RNA) where: Base-Base interactions energy: -550.160 where: short stacking energy: -236.406 Base-Backbone interact. energy: -0.127 local terms energy: -289.575753 where: bonds (distance) C4'-P energy: -54.171 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -34.188 tors. eta vs tors. theta energy: -60.591 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: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -746.158476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.158476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.158476 (E_RNA) where: Base-Base interactions energy: -486.636 where: short stacking energy: -194.633 Base-Backbone interact. energy: 6.608 local terms energy: -266.130523 where: bonds (distance) C4'-P energy: -44.809 bonds (distance) P-C4' energy: -67.242 flat angles C4'-P-C4' energy: -73.626 flat angles P-C4'-P energy: -25.102 tors. eta vs tors. theta energy: -55.351 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: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -507.830748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.830748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.830748 (E_RNA) where: Base-Base interactions energy: -280.818 where: short stacking energy: -146.343 Base-Backbone interact. energy: 0.010 local terms energy: -227.022796 where: bonds (distance) C4'-P energy: -39.722 bonds (distance) P-C4' energy: -60.092 flat angles C4'-P-C4' energy: -52.999 flat angles P-C4'-P energy: -44.271 tors. eta vs tors. theta energy: -29.940 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: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -383.395883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.395883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.395883 (E_RNA) where: Base-Base interactions energy: -183.693 where: short stacking energy: -99.697 Base-Backbone interact. energy: -0.199 local terms energy: -199.503500 where: bonds (distance) C4'-P energy: -55.558 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -54.159 flat angles P-C4'-P energy: -26.020 tors. eta vs tors. theta energy: -10.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -260.901405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.901405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.901405 (E_RNA) where: Base-Base interactions energy: -83.911 where: short stacking energy: -85.146 Base-Backbone interact. energy: 2.260 local terms energy: -179.250395 where: bonds (distance) C4'-P energy: -50.365 bonds (distance) P-C4' energy: -60.186 flat angles C4'-P-C4' energy: -49.364 flat angles P-C4'-P energy: -25.126 tors. eta vs tors. theta energy: 5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1104.299606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.299606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.299606 (E_RNA) where: Base-Base interactions energy: -758.633 where: short stacking energy: -316.420 Base-Backbone interact. energy: -0.302 local terms energy: -345.364757 where: bonds (distance) C4'-P energy: -70.389 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -74.851 flat angles P-C4'-P energy: -49.404 tors. eta vs tors. theta energy: -92.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1018.785915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.785915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.785915 (E_RNA) where: Base-Base interactions energy: -673.249 where: short stacking energy: -319.670 Base-Backbone interact. energy: -1.976 local terms energy: -343.561328 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -67.653 flat angles P-C4'-P energy: -44.506 tors. eta vs tors. theta energy: -96.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1028.143459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.143459 (E_RNA) where: Base-Base interactions energy: -681.053 where: short stacking energy: -306.545 Base-Backbone interact. energy: -0.261 local terms energy: -346.829801 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -64.329 flat angles C4'-P-C4' energy: -82.378 flat angles P-C4'-P energy: -38.190 tors. eta vs tors. theta energy: -95.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -967.027962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.027962 (E_RNA) where: Base-Base interactions energy: -644.458 where: short stacking energy: -306.677 Base-Backbone interact. energy: 1.238 local terms energy: -323.808118 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -37.798 tors. eta vs tors. theta energy: -86.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -871.935345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.935345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.935345 (E_RNA) where: Base-Base interactions energy: -588.966 where: short stacking energy: -262.015 Base-Backbone interact. energy: -0.738 local terms energy: -282.231865 where: bonds (distance) C4'-P energy: -52.341 bonds (distance) P-C4' energy: -66.146 flat angles C4'-P-C4' energy: -60.416 flat angles P-C4'-P energy: -40.401 tors. eta vs tors. theta energy: -62.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -836.622928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.622928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.622928 (E_RNA) where: Base-Base interactions energy: -552.662 where: short stacking energy: -246.733 Base-Backbone interact. energy: -1.029 local terms energy: -282.932437 where: bonds (distance) C4'-P energy: -50.237 bonds (distance) P-C4' energy: -67.276 flat angles C4'-P-C4' energy: -66.071 flat angles P-C4'-P energy: -32.742 tors. eta vs tors. theta energy: -66.606 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: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -754.658467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.658467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.658467 (E_RNA) where: Base-Base interactions energy: -493.464 where: short stacking energy: -205.072 Base-Backbone interact. energy: -1.532 local terms energy: -259.662655 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -69.752 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: -41.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -554.974494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.974494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.974494 (E_RNA) where: Base-Base interactions energy: -335.141 where: short stacking energy: -151.173 Base-Backbone interact. energy: 0.422 local terms energy: -220.255697 where: bonds (distance) C4'-P energy: -56.069 bonds (distance) P-C4' energy: -52.876 flat angles C4'-P-C4' energy: -51.378 flat angles P-C4'-P energy: -25.560 tors. eta vs tors. theta energy: -34.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -407.506501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.506501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.506501 (E_RNA) where: Base-Base interactions energy: -188.615 where: short stacking energy: -123.084 Base-Backbone interact. energy: -0.821 local terms energy: -218.069894 where: bonds (distance) C4'-P energy: -48.042 bonds (distance) P-C4' energy: -64.634 flat angles C4'-P-C4' energy: -51.582 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -267.384127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.384127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.384127 (E_RNA) where: Base-Base interactions energy: -100.379 where: short stacking energy: -51.487 Base-Backbone interact. energy: -2.060 local terms energy: -164.945291 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -51.935 flat angles C4'-P-C4' energy: -50.244 flat angles P-C4'-P energy: -22.207 tors. eta vs tors. theta energy: 17.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1120.970041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.970041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.970041 (E_RNA) where: Base-Base interactions energy: -765.080 where: short stacking energy: -330.431 Base-Backbone interact. energy: -1.847 local terms energy: -354.043123 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -78.319 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -90.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1041.118177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.118177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.118177 (E_RNA) where: Base-Base interactions energy: -700.357 where: short stacking energy: -332.495 Base-Backbone interact. energy: -0.577 local terms energy: -340.183475 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -71.779 flat angles P-C4'-P energy: -43.283 tors. eta vs tors. theta energy: -99.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -982.875587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.875587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.875587 (E_RNA) where: Base-Base interactions energy: -659.078 where: short stacking energy: -278.053 Base-Backbone interact. energy: -1.008 local terms energy: -322.788766 where: bonds (distance) C4'-P energy: -59.838 bonds (distance) P-C4' energy: -68.409 flat angles C4'-P-C4' energy: -59.038 flat angles P-C4'-P energy: -52.612 tors. eta vs tors. theta energy: -82.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -967.086770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.086770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.086770 (E_RNA) where: Base-Base interactions energy: -650.864 where: short stacking energy: -302.683 Base-Backbone interact. energy: 0.202 local terms energy: -316.424742 where: bonds (distance) C4'-P energy: -62.885 bonds (distance) P-C4' energy: -63.394 flat angles C4'-P-C4' energy: -60.593 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -82.579 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: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -904.833288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.833288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.833288 (E_RNA) where: Base-Base interactions energy: -610.360 where: short stacking energy: -268.641 Base-Backbone interact. energy: -0.306 local terms energy: -294.166966 where: bonds (distance) C4'-P energy: -47.857 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -57.742 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: -74.113 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: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -799.853904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.853904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.853904 (E_RNA) where: Base-Base interactions energy: -514.984 where: short stacking energy: -230.803 Base-Backbone interact. energy: 2.149 local terms energy: -287.019552 where: bonds (distance) C4'-P energy: -54.422 bonds (distance) P-C4' energy: -60.106 flat angles C4'-P-C4' energy: -62.898 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -65.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -732.682935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.682935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.682935 (E_RNA) where: Base-Base interactions energy: -468.410 where: short stacking energy: -211.202 Base-Backbone interact. energy: -1.155 local terms energy: -263.118444 where: bonds (distance) C4'-P energy: -54.256 bonds (distance) P-C4' energy: -64.915 flat angles C4'-P-C4' energy: -57.424 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -41.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -533.558603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.558603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.558603 (E_RNA) where: Base-Base interactions energy: -322.186 where: short stacking energy: -164.681 Base-Backbone interact. energy: -0.329 local terms energy: -211.043855 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -52.972 flat angles C4'-P-C4' energy: -47.779 flat angles P-C4'-P energy: -26.192 tors. eta vs tors. theta energy: -27.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -487.484015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.484015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.484015 (E_RNA) where: Base-Base interactions energy: -248.375 where: short stacking energy: -138.411 Base-Backbone interact. energy: 0.768 local terms energy: -239.877115 where: bonds (distance) C4'-P energy: -63.823 bonds (distance) P-C4' energy: -49.986 flat angles C4'-P-C4' energy: -55.351 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -22.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -309.263757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.263757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.263757 (E_RNA) where: Base-Base interactions energy: -133.512 where: short stacking energy: -94.608 Base-Backbone interact. energy: -0.396 local terms energy: -175.355472 where: bonds (distance) C4'-P energy: -47.912 bonds (distance) P-C4' energy: -50.459 flat angles C4'-P-C4' energy: -54.353 flat angles P-C4'-P energy: -20.147 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1114.320162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.320162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.320162 (E_RNA) where: Base-Base interactions energy: -781.389 where: short stacking energy: -321.910 Base-Backbone interact. energy: 1.244 local terms energy: -334.174975 where: bonds (distance) C4'-P energy: -68.808 bonds (distance) P-C4' energy: -56.563 flat angles C4'-P-C4' energy: -69.442 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -94.780 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: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1077.527734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.527734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.527734 (E_RNA) where: Base-Base interactions energy: -715.196 where: short stacking energy: -330.900 Base-Backbone interact. energy: -1.724 local terms energy: -360.608013 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -74.129 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -42.434 tors. eta vs tors. theta energy: -108.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -971.500000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.500000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.500000 (E_RNA) where: Base-Base interactions energy: -639.487 where: short stacking energy: -287.958 Base-Backbone interact. energy: -0.441 local terms energy: -331.572150 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -69.889 flat angles C4'-P-C4' energy: -64.068 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -86.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -955.946191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.946191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.946191 (E_RNA) where: Base-Base interactions energy: -651.343 where: short stacking energy: -290.682 Base-Backbone interact. energy: 2.347 local terms energy: -306.949611 where: bonds (distance) C4'-P energy: -57.565 bonds (distance) P-C4' energy: -60.961 flat angles C4'-P-C4' energy: -60.873 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -76.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -878.697122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.697122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.697122 (E_RNA) where: Base-Base interactions energy: -577.699 where: short stacking energy: -263.857 Base-Backbone interact. energy: -1.186 local terms energy: -299.812187 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -74.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -848.597030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.597030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.597030 (E_RNA) where: Base-Base interactions energy: -563.924 where: short stacking energy: -240.750 Base-Backbone interact. energy: -0.288 local terms energy: -284.385002 where: bonds (distance) C4'-P energy: -57.476 bonds (distance) P-C4' energy: -62.577 flat angles C4'-P-C4' energy: -60.056 flat angles P-C4'-P energy: -36.213 tors. eta vs tors. theta energy: -68.063 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: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -756.522314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.522314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.522314 (E_RNA) where: Base-Base interactions energy: -504.883 where: short stacking energy: -232.441 Base-Backbone interact. energy: -0.247 local terms energy: -251.392641 where: bonds (distance) C4'-P energy: -55.649 bonds (distance) P-C4' energy: -51.451 flat angles C4'-P-C4' energy: -57.369 flat angles P-C4'-P energy: -35.522 tors. eta vs tors. theta energy: -51.402 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: 262 Temperature: 1.250000 Total energy: -515.871626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.871626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.871626 (E_RNA) where: Base-Base interactions energy: -287.736 where: short stacking energy: -140.580 Base-Backbone interact. energy: 0.220 local terms energy: -228.355631 where: bonds (distance) C4'-P energy: -51.047 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -71.285 flat angles P-C4'-P energy: -31.284 tors. eta vs tors. theta energy: -17.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -441.174038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.174038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.174038 (E_RNA) where: Base-Base interactions energy: -223.442 where: short stacking energy: -128.341 Base-Backbone interact. energy: 0.496 local terms energy: -218.228381 where: bonds (distance) C4'-P energy: -63.162 bonds (distance) P-C4' energy: -60.585 flat angles C4'-P-C4' energy: -53.227 flat angles P-C4'-P energy: -27.178 tors. eta vs tors. theta energy: -14.076 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: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -309.856815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.856815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.856815 (E_RNA) where: Base-Base interactions energy: -127.839 where: short stacking energy: -108.676 Base-Backbone interact. energy: -0.896 local terms energy: -181.121487 where: bonds (distance) C4'-P energy: -54.953 bonds (distance) P-C4' energy: -52.538 flat angles C4'-P-C4' energy: -47.773 flat angles P-C4'-P energy: -24.949 tors. eta vs tors. theta energy: -0.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1115.876674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.876674 (E_RNA) where: Base-Base interactions energy: -774.675 where: short stacking energy: -323.087 Base-Backbone interact. energy: -3.263 local terms energy: -337.938374 where: bonds (distance) C4'-P energy: -71.794 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -48.083 tors. eta vs tors. theta energy: -86.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1042.605625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.605625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.605625 (E_RNA) where: Base-Base interactions energy: -683.214 where: short stacking energy: -305.635 Base-Backbone interact. energy: 0.053 local terms energy: -359.444788 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -65.453 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -51.172 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: 3, replica: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -959.306309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.306309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.306309 (E_RNA) where: Base-Base interactions energy: -643.157 where: short stacking energy: -290.055 Base-Backbone interact. energy: -0.709 local terms energy: -315.439554 where: bonds (distance) C4'-P energy: -65.560 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -47.446 tors. eta vs tors. theta energy: -78.442 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: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -950.233539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.233539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.233539 (E_RNA) where: Base-Base interactions energy: -644.750 where: short stacking energy: -290.606 Base-Backbone interact. energy: -0.730 local terms energy: -304.754083 where: bonds (distance) C4'-P energy: -52.408 bonds (distance) P-C4' energy: -56.126 flat angles C4'-P-C4' energy: -70.527 flat angles P-C4'-P energy: -42.949 tors. eta vs tors. theta energy: -82.744 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: 9 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -929.589717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.589717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.589717 (E_RNA) where: Base-Base interactions energy: -626.316 where: short stacking energy: -287.518 Base-Backbone interact. energy: -1.223 local terms energy: -302.050807 where: bonds (distance) C4'-P energy: -56.263 bonds (distance) P-C4' energy: -58.204 flat angles C4'-P-C4' energy: -63.551 flat angles P-C4'-P energy: -37.191 tors. eta vs tors. theta energy: -86.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -821.836297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.836297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.836297 (E_RNA) where: Base-Base interactions energy: -549.028 where: short stacking energy: -226.382 Base-Backbone interact. energy: -1.093 local terms energy: -271.714724 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -51.937 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -34.793 tors. eta vs tors. theta energy: -57.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -745.277417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.277417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.277417 (E_RNA) where: Base-Base interactions energy: -472.747 where: short stacking energy: -213.331 Base-Backbone interact. energy: -2.884 local terms energy: -269.646854 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -51.063 flat angles P-C4'-P energy: -37.407 tors. eta vs tors. theta energy: -59.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -513.994557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.994557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.994557 (E_RNA) where: Base-Base interactions energy: -297.248 where: short stacking energy: -155.191 Base-Backbone interact. energy: -1.229 local terms energy: -215.517776 where: bonds (distance) C4'-P energy: -62.886 bonds (distance) P-C4' energy: -33.666 flat angles C4'-P-C4' energy: -55.792 flat angles P-C4'-P energy: -30.179 tors. eta vs tors. theta energy: -32.995 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: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -457.103839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.103839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.103839 (E_RNA) where: Base-Base interactions energy: -246.356 where: short stacking energy: -109.240 Base-Backbone interact. energy: -3.015 local terms energy: -207.732695 where: bonds (distance) C4'-P energy: -53.792 bonds (distance) P-C4' energy: -60.965 flat angles C4'-P-C4' energy: -48.776 flat angles P-C4'-P energy: -39.150 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -297.075831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.075831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.075831 (E_RNA) where: Base-Base interactions energy: -115.277 where: short stacking energy: -85.318 Base-Backbone interact. energy: 0.673 local terms energy: -182.470886 where: bonds (distance) C4'-P energy: -48.984 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -46.352 flat angles P-C4'-P energy: -34.548 tors. eta vs tors. theta energy: 13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1121.769017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.769017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.769017 (E_RNA) where: Base-Base interactions energy: -773.448 where: short stacking energy: -316.779 Base-Backbone interact. energy: -1.302 local terms energy: -347.019081 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -66.083 flat angles C4'-P-C4' energy: -79.819 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -93.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1076.226299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.226299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.226299 (E_RNA) where: Base-Base interactions energy: -738.862 where: short stacking energy: -324.252 Base-Backbone interact. energy: 0.387 local terms energy: -337.750551 where: bonds (distance) C4'-P energy: -54.770 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -102.152 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: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -973.770490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.770490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.770490 (E_RNA) where: Base-Base interactions energy: -664.942 where: short stacking energy: -287.220 Base-Backbone interact. energy: -1.218 local terms energy: -307.610423 where: bonds (distance) C4'-P energy: -62.421 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -39.803 tors. eta vs tors. theta energy: -80.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -962.618027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.618027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.618027 (E_RNA) where: Base-Base interactions energy: -645.055 where: short stacking energy: -288.236 Base-Backbone interact. energy: -0.600 local terms energy: -316.963341 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -53.193 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -84.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -943.711620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.711620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.711620 (E_RNA) where: Base-Base interactions energy: -640.653 where: short stacking energy: -274.710 Base-Backbone interact. energy: -0.023 local terms energy: -303.035724 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -52.583 flat angles C4'-P-C4' energy: -66.387 flat angles P-C4'-P energy: -42.804 tors. eta vs tors. theta energy: -80.093 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: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -833.112862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.112862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.112862 (E_RNA) where: Base-Base interactions energy: -576.254 where: short stacking energy: -223.502 Base-Backbone interact. energy: -1.612 local terms energy: -255.247013 where: bonds (distance) C4'-P energy: -54.320 bonds (distance) P-C4' energy: -53.514 flat angles C4'-P-C4' energy: -54.121 flat angles P-C4'-P energy: -33.830 tors. eta vs tors. theta energy: -59.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -744.205124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.205124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.205124 (E_RNA) where: Base-Base interactions energy: -480.521 where: short stacking energy: -229.550 Base-Backbone interact. energy: -1.834 local terms energy: -261.849482 where: bonds (distance) C4'-P energy: -47.205 bonds (distance) P-C4' energy: -71.127 flat angles C4'-P-C4' energy: -53.292 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -49.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -471.215848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.215848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.215848 (E_RNA) where: Base-Base interactions energy: -270.449 where: short stacking energy: -129.548 Base-Backbone interact. energy: -0.313 local terms energy: -200.453849 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -49.413 flat angles C4'-P-C4' energy: -32.958 flat angles P-C4'-P energy: -32.080 tors. eta vs tors. theta energy: -27.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -448.100120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.100120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.100120 (E_RNA) where: Base-Base interactions energy: -247.434 where: short stacking energy: -125.110 Base-Backbone interact. energy: 0.400 local terms energy: -201.066276 where: bonds (distance) C4'-P energy: -47.556 bonds (distance) P-C4' energy: -52.035 flat angles C4'-P-C4' energy: -51.077 flat angles P-C4'-P energy: -29.504 tors. eta vs tors. theta energy: -20.895 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: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -279.481386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.481386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.481386 (E_RNA) where: Base-Base interactions energy: -117.764 where: short stacking energy: -73.538 Base-Backbone interact. energy: 1.212 local terms energy: -162.930002 where: bonds (distance) C4'-P energy: -49.765 bonds (distance) P-C4' energy: -54.383 flat angles C4'-P-C4' energy: -52.044 flat angles P-C4'-P energy: -34.642 tors. eta vs tors. theta energy: 27.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1105.232154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.232154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.232154 (E_RNA) where: Base-Base interactions energy: -760.805 where: short stacking energy: -312.693 Base-Backbone interact. energy: -2.591 local terms energy: -341.835975 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -78.193 flat angles C4'-P-C4' energy: -63.280 flat angles P-C4'-P energy: -41.874 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: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1068.958082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.958082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.958082 (E_RNA) where: Base-Base interactions energy: -728.882 where: short stacking energy: -308.758 Base-Backbone interact. energy: -1.003 local terms energy: -339.072718 where: bonds (distance) C4'-P energy: -64.677 bonds (distance) P-C4' energy: -63.607 flat angles C4'-P-C4' energy: -74.425 flat angles P-C4'-P energy: -39.325 tors. eta vs tors. theta energy: -97.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -977.723400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.723400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.723400 (E_RNA) where: Base-Base interactions energy: -650.946 where: short stacking energy: -297.170 Base-Backbone interact. energy: -0.589 local terms energy: -326.188590 where: bonds (distance) C4'-P energy: -58.702 bonds (distance) P-C4' energy: -62.073 flat angles C4'-P-C4' energy: -68.382 flat angles P-C4'-P energy: -45.085 tors. eta vs tors. theta energy: -91.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -990.823338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.823338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.823338 (E_RNA) where: Base-Base interactions energy: -678.171 where: short stacking energy: -291.525 Base-Backbone interact. energy: 0.657 local terms energy: -313.308897 where: bonds (distance) C4'-P energy: -55.403 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -68.562 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -87.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -938.177027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.177027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.177027 (E_RNA) where: Base-Base interactions energy: -643.377 where: short stacking energy: -293.146 Base-Backbone interact. energy: -1.115 local terms energy: -293.685375 where: bonds (distance) C4'-P energy: -40.967 bonds (distance) P-C4' energy: -63.107 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -36.181 tors. eta vs tors. theta energy: -85.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -811.850293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.850293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.850293 (E_RNA) where: Base-Base interactions energy: -557.157 where: short stacking energy: -222.195 Base-Backbone interact. energy: -1.070 local terms energy: -253.622882 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -60.528 flat angles C4'-P-C4' energy: -51.106 flat angles P-C4'-P energy: -30.749 tors. eta vs tors. theta energy: -44.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -710.840821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.840821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.840821 (E_RNA) where: Base-Base interactions energy: -452.600 where: short stacking energy: -218.922 Base-Backbone interact. energy: -1.065 local terms energy: -257.176082 where: bonds (distance) C4'-P energy: -53.929 bonds (distance) P-C4' energy: -47.405 flat angles C4'-P-C4' energy: -64.130 flat angles P-C4'-P energy: -35.139 tors. eta vs tors. theta energy: -56.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -509.499989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.499989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.499989 (E_RNA) where: Base-Base interactions energy: -281.729 where: short stacking energy: -157.543 Base-Backbone interact. energy: -1.755 local terms energy: -226.015667 where: bonds (distance) C4'-P energy: -53.893 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -39.142 flat angles P-C4'-P energy: -28.077 tors. eta vs tors. theta energy: -38.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -448.101607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.101607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.101607 (E_RNA) where: Base-Base interactions energy: -251.331 where: short stacking energy: -135.582 Base-Backbone interact. energy: -0.560 local terms energy: -196.210424 where: bonds (distance) C4'-P energy: -49.470 bonds (distance) P-C4' energy: -60.296 flat angles C4'-P-C4' energy: -45.718 flat angles P-C4'-P energy: -30.126 tors. eta vs tors. theta energy: -10.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -267.116541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.116541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.116541 (E_RNA) where: Base-Base interactions energy: -97.723 where: short stacking energy: -75.328 Base-Backbone interact. energy: -1.015 local terms energy: -168.379068 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -51.703 flat angles C4'-P-C4' energy: -46.356 flat angles P-C4'-P energy: -32.322 tors. eta vs tors. theta energy: 12.347 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1114.249816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.249816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.249816 (E_RNA) where: Base-Base interactions energy: -780.595 where: short stacking energy: -306.543 Base-Backbone interact. energy: -1.835 local terms energy: -331.820018 where: bonds (distance) C4'-P energy: -61.208 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -69.249 flat angles P-C4'-P energy: -45.415 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: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1039.783849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.783849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.783849 (E_RNA) where: Base-Base interactions energy: -701.925 where: short stacking energy: -309.783 Base-Backbone interact. energy: -1.601 local terms energy: -336.257727 where: bonds (distance) C4'-P energy: -59.691 bonds (distance) P-C4' energy: -63.667 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -91.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -997.041424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.041424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.041424 (E_RNA) where: Base-Base interactions energy: -672.707 where: short stacking energy: -286.904 Base-Backbone interact. energy: -2.164 local terms energy: -322.170364 where: bonds (distance) C4'-P energy: -65.309 bonds (distance) P-C4' energy: -74.085 flat angles C4'-P-C4' energy: -66.767 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: -79.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -960.755302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.755302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.755302 (E_RNA) where: Base-Base interactions energy: -634.915 where: short stacking energy: -287.039 Base-Backbone interact. energy: -0.031 local terms energy: -325.809839 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -48.284 tors. eta vs tors. theta energy: -82.538 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: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -923.409492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.409492 (E_RNA) where: Base-Base interactions energy: -618.865 where: short stacking energy: -272.235 Base-Backbone interact. energy: -2.013 local terms energy: -302.531271 where: bonds (distance) C4'-P energy: -59.567 bonds (distance) P-C4' energy: -60.220 flat angles C4'-P-C4' energy: -67.757 flat angles P-C4'-P energy: -39.588 tors. eta vs tors. theta energy: -75.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -866.242914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.242914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.242914 (E_RNA) where: Base-Base interactions energy: -591.070 where: short stacking energy: -248.830 Base-Backbone interact. energy: -1.440 local terms energy: -273.733117 where: bonds (distance) C4'-P energy: -58.282 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -61.981 flat angles P-C4'-P energy: -31.901 tors. eta vs tors. theta energy: -64.788 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: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -723.259944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.259944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.259944 (E_RNA) where: Base-Base interactions energy: -470.248 where: short stacking energy: -209.399 Base-Backbone interact. energy: -3.720 local terms energy: -249.291490 where: bonds (distance) C4'-P energy: -45.233 bonds (distance) P-C4' energy: -43.136 flat angles C4'-P-C4' energy: -68.387 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -51.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -541.710445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.710445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.710445 (E_RNA) where: Base-Base interactions energy: -314.365 where: short stacking energy: -152.879 Base-Backbone interact. energy: -1.116 local terms energy: -226.229571 where: bonds (distance) C4'-P energy: -53.442 bonds (distance) P-C4' energy: -58.037 flat angles C4'-P-C4' energy: -54.989 flat angles P-C4'-P energy: -22.560 tors. eta vs tors. theta energy: -37.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -433.955768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.955768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.955768 (E_RNA) where: Base-Base interactions energy: -227.817 where: short stacking energy: -148.540 Base-Backbone interact. energy: -1.527 local terms energy: -204.612024 where: bonds (distance) C4'-P energy: -39.192 bonds (distance) P-C4' energy: -56.607 flat angles C4'-P-C4' energy: -61.823 flat angles P-C4'-P energy: -23.927 tors. eta vs tors. theta energy: -23.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -259.875549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.875549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.875549 (E_RNA) where: Base-Base interactions energy: -105.893 where: short stacking energy: -78.681 Base-Backbone interact. energy: 0.122 local terms energy: -154.104443 where: bonds (distance) C4'-P energy: -51.697 bonds (distance) P-C4' energy: -45.492 flat angles C4'-P-C4' energy: -29.502 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: 4.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1109.628817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.628817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.628817 (E_RNA) where: Base-Base interactions energy: -764.573 where: short stacking energy: -315.179 Base-Backbone interact. energy: 0.160 local terms energy: -345.216166 where: bonds (distance) C4'-P energy: -69.187 bonds (distance) P-C4' energy: -60.349 flat angles C4'-P-C4' energy: -73.914 flat angles P-C4'-P energy: -50.538 tors. eta vs tors. theta energy: -91.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1064.467103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.467103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.467103 (E_RNA) where: Base-Base interactions energy: -717.108 where: short stacking energy: -318.012 Base-Backbone interact. energy: -1.254 local terms energy: -346.105094 where: bonds (distance) C4'-P energy: -67.124 bonds (distance) P-C4' energy: -55.817 flat angles C4'-P-C4' energy: -75.751 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -101.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -994.276017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.276017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.276017 (E_RNA) where: Base-Base interactions energy: -681.918 where: short stacking energy: -284.780 Base-Backbone interact. energy: -1.214 local terms energy: -311.143615 where: bonds (distance) C4'-P energy: -61.728 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -60.351 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -79.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -958.734981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.734981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.734981 (E_RNA) where: Base-Base interactions energy: -637.304 where: short stacking energy: -298.129 Base-Backbone interact. energy: -1.444 local terms energy: -319.986564 where: bonds (distance) C4'-P energy: -53.306 bonds (distance) P-C4' energy: -60.964 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -80.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -950.406600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.406600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.406600 (E_RNA) where: Base-Base interactions energy: -650.104 where: short stacking energy: -303.699 Base-Backbone interact. energy: -1.628 local terms energy: -298.674510 where: bonds (distance) C4'-P energy: -51.126 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -37.674 tors. eta vs tors. theta energy: -78.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -884.848473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.848473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.848473 (E_RNA) where: Base-Base interactions energy: -598.980 where: short stacking energy: -248.475 Base-Backbone interact. energy: -1.516 local terms energy: -284.352422 where: bonds (distance) C4'-P energy: -54.301 bonds (distance) P-C4' energy: -61.432 flat angles C4'-P-C4' energy: -52.861 flat angles P-C4'-P energy: -46.106 tors. eta vs tors. theta energy: -69.652 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: 267 Temperature: 1.200000 Total energy: -718.448878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.448878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.448878 (E_RNA) where: Base-Base interactions energy: -466.329 where: short stacking energy: -213.455 Base-Backbone interact. energy: 2.298 local terms energy: -254.417558 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -50.446 flat angles C4'-P-C4' energy: -51.333 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -47.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -523.150475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.150475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.150475 (E_RNA) where: Base-Base interactions energy: -317.453 where: short stacking energy: -168.708 Base-Backbone interact. energy: 0.861 local terms energy: -206.557854 where: bonds (distance) C4'-P energy: -49.154 bonds (distance) P-C4' energy: -38.264 flat angles C4'-P-C4' energy: -58.748 flat angles P-C4'-P energy: -30.387 tors. eta vs tors. theta energy: -30.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -400.084357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.084357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.084357 (E_RNA) where: Base-Base interactions energy: -182.899 where: short stacking energy: -109.095 Base-Backbone interact. energy: 2.309 local terms energy: -219.494329 where: bonds (distance) C4'-P energy: -48.396 bonds (distance) P-C4' energy: -65.193 flat angles C4'-P-C4' energy: -60.250 flat angles P-C4'-P energy: -29.425 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: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -278.232478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.232478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.232478 (E_RNA) where: Base-Base interactions energy: -115.830 where: short stacking energy: -79.982 Base-Backbone interact. energy: -2.266 local terms energy: -160.137020 where: bonds (distance) C4'-P energy: -50.629 bonds (distance) P-C4' energy: -53.959 flat angles C4'-P-C4' energy: -46.045 flat angles P-C4'-P energy: -26.517 tors. eta vs tors. theta energy: 17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1087.389146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.389146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.389146 (E_RNA) where: Base-Base interactions energy: -745.805 where: short stacking energy: -319.644 Base-Backbone interact. energy: 1.241 local terms energy: -342.825503 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -85.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1060.795416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.795416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.795416 (E_RNA) where: Base-Base interactions energy: -712.624 where: short stacking energy: -321.798 Base-Backbone interact. energy: -1.251 local terms energy: -346.921195 where: bonds (distance) C4'-P energy: -64.429 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -49.409 tors. eta vs tors. theta energy: -94.104 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: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1002.839129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.839129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.839129 (E_RNA) where: Base-Base interactions energy: -679.930 where: short stacking energy: -300.249 Base-Backbone interact. energy: 0.003 local terms energy: -322.911771 where: bonds (distance) C4'-P energy: -52.565 bonds (distance) P-C4' energy: -69.330 flat angles C4'-P-C4' energy: -62.002 flat angles P-C4'-P energy: -49.565 tors. eta vs tors. theta energy: -89.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -949.005877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.005877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.005877 (E_RNA) where: Base-Base interactions energy: -649.859 where: short stacking energy: -278.820 Base-Backbone interact. energy: -1.433 local terms energy: -297.713502 where: bonds (distance) C4'-P energy: -56.287 bonds (distance) P-C4' energy: -53.005 flat angles C4'-P-C4' energy: -64.997 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -71.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -930.208879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.208879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.208879 (E_RNA) where: Base-Base interactions energy: -615.631 where: short stacking energy: -285.446 Base-Backbone interact. energy: -1.427 local terms energy: -313.150924 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -56.738 flat angles C4'-P-C4' energy: -70.918 flat angles P-C4'-P energy: -44.177 tors. eta vs tors. theta energy: -84.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -876.869775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.869775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.869775 (E_RNA) where: Base-Base interactions energy: -611.495 where: short stacking energy: -248.311 Base-Backbone interact. energy: -2.079 local terms energy: -263.295342 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -50.234 flat angles C4'-P-C4' energy: -46.598 flat angles P-C4'-P energy: -46.633 tors. eta vs tors. theta energy: -59.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -691.355722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.355722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.355722 (E_RNA) where: Base-Base interactions energy: -441.124 where: short stacking energy: -169.507 Base-Backbone interact. energy: -2.192 local terms energy: -248.039370 where: bonds (distance) C4'-P energy: -50.343 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -63.696 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: -29.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -542.580111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.580111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.580111 (E_RNA) where: Base-Base interactions energy: -330.106 where: short stacking energy: -167.530 Base-Backbone interact. energy: 2.866 local terms energy: -215.339503 where: bonds (distance) C4'-P energy: -42.676 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -64.113 flat angles P-C4'-P energy: -19.460 tors. eta vs tors. theta energy: -30.945 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: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -375.678172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.678172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.678172 (E_RNA) where: Base-Base interactions energy: -195.069 where: short stacking energy: -96.153 Base-Backbone interact. energy: 1.173 local terms energy: -181.782152 where: bonds (distance) C4'-P energy: -56.127 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -37.270 flat angles P-C4'-P energy: -24.823 tors. eta vs tors. theta energy: -6.990 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: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -273.391070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.391070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.391070 (E_RNA) where: Base-Base interactions energy: -94.081 where: short stacking energy: -77.020 Base-Backbone interact. energy: 0.762 local terms energy: -180.071889 where: bonds (distance) C4'-P energy: -51.742 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -48.084 flat angles P-C4'-P energy: -25.747 tors. eta vs tors. theta energy: 12.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1101.079753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.079753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.079753 (E_RNA) where: Base-Base interactions energy: -760.451 where: short stacking energy: -306.241 Base-Backbone interact. energy: -1.765 local terms energy: -338.864139 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -67.898 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -83.925 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: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1055.147768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.147768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.147768 (E_RNA) where: Base-Base interactions energy: -715.699 where: short stacking energy: -313.946 Base-Backbone interact. energy: -0.734 local terms energy: -338.714797 where: bonds (distance) C4'-P energy: -57.476 bonds (distance) P-C4' energy: -64.254 flat angles C4'-P-C4' energy: -69.456 flat angles P-C4'-P energy: -48.848 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: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1015.719514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.719514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.719514 (E_RNA) where: Base-Base interactions energy: -686.685 where: short stacking energy: -301.393 Base-Backbone interact. energy: -0.217 local terms energy: -328.818163 where: bonds (distance) C4'-P energy: -51.685 bonds (distance) P-C4' energy: -71.416 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -89.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -985.622563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.622563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.622563 (E_RNA) where: Base-Base interactions energy: -661.938 where: short stacking energy: -277.971 Base-Backbone interact. energy: 0.383 local terms energy: -324.068343 where: bonds (distance) C4'-P energy: -67.803 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -60.336 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -80.800 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: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -919.243408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.243408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.243408 (E_RNA) where: Base-Base interactions energy: -609.010 where: short stacking energy: -273.472 Base-Backbone interact. energy: -1.951 local terms energy: -308.282909 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -58.036 flat angles C4'-P-C4' energy: -63.545 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -80.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -872.898391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.898391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.898391 (E_RNA) where: Base-Base interactions energy: -587.232 where: short stacking energy: -248.867 Base-Backbone interact. energy: -2.381 local terms energy: -283.285462 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -26.969 tors. eta vs tors. theta energy: -61.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -685.965217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.965217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.965217 (E_RNA) where: Base-Base interactions energy: -453.929 where: short stacking energy: -202.531 Base-Backbone interact. energy: -0.484 local terms energy: -231.551383 where: bonds (distance) C4'-P energy: -60.855 bonds (distance) P-C4' energy: -42.700 flat angles C4'-P-C4' energy: -57.863 flat angles P-C4'-P energy: -38.527 tors. eta vs tors. theta energy: -31.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -565.408312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.408312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.408312 (E_RNA) where: Base-Base interactions energy: -337.198 where: short stacking energy: -175.579 Base-Backbone interact. energy: -0.222 local terms energy: -227.988365 where: bonds (distance) C4'-P energy: -45.150 bonds (distance) P-C4' energy: -53.704 flat angles C4'-P-C4' energy: -57.411 flat angles P-C4'-P energy: -36.857 tors. eta vs tors. theta energy: -34.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -378.468909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.468909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.468909 (E_RNA) where: Base-Base interactions energy: -179.975 where: short stacking energy: -111.421 Base-Backbone interact. energy: -0.113 local terms energy: -198.380729 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -51.286 flat angles C4'-P-C4' energy: -50.939 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: 14.842 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: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -278.223244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.223244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.223244 (E_RNA) where: Base-Base interactions energy: -93.185 where: short stacking energy: -64.462 Base-Backbone interact. energy: 5.791 local terms energy: -190.829340 where: bonds (distance) C4'-P energy: -56.196 bonds (distance) P-C4' energy: -58.788 flat angles C4'-P-C4' energy: -49.275 flat angles P-C4'-P energy: -29.885 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: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1099.623136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.623136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.623136 (E_RNA) where: Base-Base interactions energy: -776.420 where: short stacking energy: -316.911 Base-Backbone interact. energy: -2.516 local terms energy: -320.686989 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -71.643 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -89.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1044.486587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.486587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.486587 (E_RNA) where: Base-Base interactions energy: -718.215 where: short stacking energy: -298.041 Base-Backbone interact. energy: -0.902 local terms energy: -325.369391 where: bonds (distance) C4'-P energy: -64.614 bonds (distance) P-C4' energy: -69.922 flat angles C4'-P-C4' energy: -64.313 flat angles P-C4'-P energy: -40.556 tors. eta vs tors. theta energy: -85.965 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: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1033.274941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.274941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.274941 (E_RNA) where: Base-Base interactions energy: -709.173 where: short stacking energy: -299.511 Base-Backbone interact. energy: -1.570 local terms energy: -322.532737 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -62.030 flat angles C4'-P-C4' energy: -69.222 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -85.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -989.820876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.820876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.820876 (E_RNA) where: Base-Base interactions energy: -667.789 where: short stacking energy: -309.784 Base-Backbone interact. energy: -2.985 local terms energy: -319.046883 where: bonds (distance) C4'-P energy: -56.199 bonds (distance) P-C4' energy: -56.406 flat angles C4'-P-C4' energy: -63.546 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -93.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -886.441719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.441719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.441719 (E_RNA) where: Base-Base interactions energy: -604.244 where: short stacking energy: -257.071 Base-Backbone interact. energy: -0.755 local terms energy: -281.443189 where: bonds (distance) C4'-P energy: -51.118 bonds (distance) P-C4' energy: -57.221 flat angles C4'-P-C4' energy: -63.823 flat angles P-C4'-P energy: -41.634 tors. eta vs tors. theta energy: -67.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -878.204517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.204517 (E_RNA) where: Base-Base interactions energy: -600.688 where: short stacking energy: -239.261 Base-Backbone interact. energy: 1.746 local terms energy: -279.261891 where: bonds (distance) C4'-P energy: -45.028 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -62.256 flat angles P-C4'-P energy: -34.355 tors. eta vs tors. theta energy: -74.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -671.996254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.996254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.996254 (E_RNA) where: Base-Base interactions energy: -423.863 where: short stacking energy: -197.262 Base-Backbone interact. energy: -2.722 local terms energy: -245.411266 where: bonds (distance) C4'-P energy: -66.511 bonds (distance) P-C4' energy: -57.228 flat angles C4'-P-C4' energy: -50.458 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -33.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -556.875428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.875428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.875428 (E_RNA) where: Base-Base interactions energy: -332.217 where: short stacking energy: -158.978 Base-Backbone interact. energy: -1.955 local terms energy: -222.703214 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -46.327 flat angles P-C4'-P energy: -34.566 tors. eta vs tors. theta energy: -27.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -386.348839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.348839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.348839 (E_RNA) where: Base-Base interactions energy: -201.357 where: short stacking energy: -113.354 Base-Backbone interact. energy: -0.132 local terms energy: -184.859680 where: bonds (distance) C4'-P energy: -48.425 bonds (distance) P-C4' energy: -46.019 flat angles C4'-P-C4' energy: -49.366 flat angles P-C4'-P energy: -36.104 tors. eta vs tors. theta energy: -4.946 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: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -263.474147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.474147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.474147 (E_RNA) where: Base-Base interactions energy: -93.201 where: short stacking energy: -76.476 Base-Backbone interact. energy: 0.450 local terms energy: -170.723565 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -51.652 flat angles P-C4'-P energy: -19.399 tors. eta vs tors. theta energy: 13.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1102.951058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.951058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.951058 (E_RNA) where: Base-Base interactions energy: -757.531 where: short stacking energy: -305.078 Base-Backbone interact. energy: -1.883 local terms energy: -343.536629 where: bonds (distance) C4'-P energy: -67.787 bonds (distance) P-C4' energy: -69.303 flat angles C4'-P-C4' energy: -72.123 flat angles P-C4'-P energy: -46.602 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: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1053.309936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.309936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.309936 (E_RNA) where: Base-Base interactions energy: -733.758 where: short stacking energy: -305.483 Base-Backbone interact. energy: -1.288 local terms energy: -318.264190 where: bonds (distance) C4'-P energy: -62.876 bonds (distance) P-C4' energy: -57.275 flat angles C4'-P-C4' energy: -70.979 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -84.804 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: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1034.315838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.315838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.315838 (E_RNA) where: Base-Base interactions energy: -684.903 where: short stacking energy: -295.690 Base-Backbone interact. energy: -2.091 local terms energy: -347.322127 where: bonds (distance) C4'-P energy: -66.897 bonds (distance) P-C4' energy: -64.280 flat angles C4'-P-C4' energy: -71.858 flat angles P-C4'-P energy: -55.929 tors. eta vs tors. theta energy: -88.357 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: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -985.471585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.471585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.471585 (E_RNA) where: Base-Base interactions energy: -675.755 where: short stacking energy: -297.504 Base-Backbone interact. energy: 0.334 local terms energy: -310.051107 where: bonds (distance) C4'-P energy: -54.722 bonds (distance) P-C4' energy: -59.205 flat angles C4'-P-C4' energy: -65.646 flat angles P-C4'-P energy: -46.570 tors. eta vs tors. theta energy: -83.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -901.845936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.845936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.845936 (E_RNA) where: Base-Base interactions energy: -603.976 where: short stacking energy: -253.866 Base-Backbone interact. energy: 1.128 local terms energy: -298.997550 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -64.818 flat angles C4'-P-C4' energy: -69.141 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -63.119 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: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -888.938397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.938397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.938397 (E_RNA) where: Base-Base interactions energy: -592.064 where: short stacking energy: -269.728 Base-Backbone interact. energy: -0.512 local terms energy: -296.362950 where: bonds (distance) C4'-P energy: -51.242 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -67.869 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -76.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -678.701129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.701129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.701129 (E_RNA) where: Base-Base interactions energy: -416.605 where: short stacking energy: -212.492 Base-Backbone interact. energy: 0.470 local terms energy: -262.565962 where: bonds (distance) C4'-P energy: -58.146 bonds (distance) P-C4' energy: -50.654 flat angles C4'-P-C4' energy: -64.064 flat angles P-C4'-P energy: -40.265 tors. eta vs tors. theta energy: -49.437 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: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -517.462224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.462224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.462224 (E_RNA) where: Base-Base interactions energy: -294.653 where: short stacking energy: -143.875 Base-Backbone interact. energy: 0.777 local terms energy: -223.586160 where: bonds (distance) C4'-P energy: -58.721 bonds (distance) P-C4' energy: -50.532 flat angles C4'-P-C4' energy: -56.512 flat angles P-C4'-P energy: -30.920 tors. eta vs tors. theta energy: -26.900 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: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -404.893752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.893752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.893752 (E_RNA) where: Base-Base interactions energy: -199.882 where: short stacking energy: -118.268 Base-Backbone interact. energy: -0.428 local terms energy: -204.584049 where: bonds (distance) C4'-P energy: -63.772 bonds (distance) P-C4' energy: -55.299 flat angles C4'-P-C4' energy: -51.225 flat angles P-C4'-P energy: -23.271 tors. eta vs tors. theta energy: -11.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -264.037387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.037387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.037387 (E_RNA) where: Base-Base interactions energy: -92.873 where: short stacking energy: -81.876 Base-Backbone interact. energy: 2.854 local terms energy: -174.017590 where: bonds (distance) C4'-P energy: -44.545 bonds (distance) P-C4' energy: -53.684 flat angles C4'-P-C4' energy: -53.683 flat angles P-C4'-P energy: -28.991 tors. eta vs tors. theta energy: 6.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1087.154225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.154225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.154225 (E_RNA) where: Base-Base interactions energy: -744.780 where: short stacking energy: -303.254 Base-Backbone interact. energy: -1.945 local terms energy: -340.429115 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -64.449 flat angles C4'-P-C4' energy: -70.828 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: -81.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1071.463869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.463869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.463869 (E_RNA) where: Base-Base interactions energy: -739.094 where: short stacking energy: -299.852 Base-Backbone interact. energy: -2.054 local terms energy: -330.315714 where: bonds (distance) C4'-P energy: -68.433 bonds (distance) P-C4' energy: -64.730 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -48.872 tors. eta vs tors. theta energy: -80.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1023.046733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.046733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.046733 (E_RNA) where: Base-Base interactions energy: -685.335 where: short stacking energy: -292.675 Base-Backbone interact. energy: -0.755 local terms energy: -336.956246 where: bonds (distance) C4'-P energy: -68.219 bonds (distance) P-C4' energy: -62.688 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -47.598 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: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -984.278104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.278104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.278104 (E_RNA) where: Base-Base interactions energy: -655.976 where: short stacking energy: -298.670 Base-Backbone interact. energy: 1.393 local terms energy: -329.695686 where: bonds (distance) C4'-P energy: -66.060 bonds (distance) P-C4' energy: -67.176 flat angles C4'-P-C4' energy: -67.911 flat angles P-C4'-P energy: -39.069 tors. eta vs tors. theta energy: -89.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -902.560235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.560235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.560235 (E_RNA) where: Base-Base interactions energy: -620.877 where: short stacking energy: -273.464 Base-Backbone interact. energy: -0.011 local terms energy: -281.672033 where: bonds (distance) C4'-P energy: -53.202 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -55.640 flat angles P-C4'-P energy: -36.002 tors. eta vs tors. theta energy: -74.325 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: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -889.447459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.447459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.447459 (E_RNA) where: Base-Base interactions energy: -599.205 where: short stacking energy: -253.715 Base-Backbone interact. energy: -1.169 local terms energy: -289.073278 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -57.896 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -66.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -683.068289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.068289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.068289 (E_RNA) where: Base-Base interactions energy: -436.957 where: short stacking energy: -199.763 Base-Backbone interact. energy: 0.903 local terms energy: -247.014680 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -49.244 flat angles C4'-P-C4' energy: -51.912 flat angles P-C4'-P energy: -34.351 tors. eta vs tors. theta energy: -50.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -515.844524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.844524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.844524 (E_RNA) where: Base-Base interactions energy: -296.582 where: short stacking energy: -159.122 Base-Backbone interact. energy: -2.194 local terms energy: -217.068882 where: bonds (distance) C4'-P energy: -44.201 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -58.213 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -22.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -401.403975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.403975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.403975 (E_RNA) where: Base-Base interactions energy: -206.380 where: short stacking energy: -114.627 Base-Backbone interact. energy: -1.399 local terms energy: -193.624942 where: bonds (distance) C4'-P energy: -60.812 bonds (distance) P-C4' energy: -57.958 flat angles C4'-P-C4' energy: -44.373 flat angles P-C4'-P energy: -25.542 tors. eta vs tors. theta energy: -4.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -288.695866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.695866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.695866 (E_RNA) where: Base-Base interactions energy: -111.829 where: short stacking energy: -80.887 Base-Backbone interact. energy: 1.282 local terms energy: -178.148939 where: bonds (distance) C4'-P energy: -56.594 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -36.347 flat angles P-C4'-P energy: -19.646 tors. eta vs tors. theta energy: 2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1078.924687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.924687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.924687 (E_RNA) where: Base-Base interactions energy: -757.715 where: short stacking energy: -309.299 Base-Backbone interact. energy: -1.568 local terms energy: -319.641335 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -62.918 flat angles C4'-P-C4' energy: -71.977 flat angles P-C4'-P energy: -36.774 tors. eta vs tors. theta energy: -86.378 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: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1067.368770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.368770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.368770 (E_RNA) where: Base-Base interactions energy: -723.084 where: short stacking energy: -316.715 Base-Backbone interact. energy: -1.844 local terms energy: -342.440791 where: bonds (distance) C4'-P energy: -61.030 bonds (distance) P-C4' energy: -65.575 flat angles C4'-P-C4' energy: -73.315 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -91.950 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: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1052.738685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.738685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.738685 (E_RNA) where: Base-Base interactions energy: -716.711 where: short stacking energy: -321.734 Base-Backbone interact. energy: -3.183 local terms energy: -332.844441 where: bonds (distance) C4'-P energy: -55.885 bonds (distance) P-C4' energy: -59.464 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -101.778 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -925.972006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.972006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.972006 (E_RNA) where: Base-Base interactions energy: -612.117 where: short stacking energy: -272.469 Base-Backbone interact. energy: -1.583 local terms energy: -312.272001 where: bonds (distance) C4'-P energy: -52.538 bonds (distance) P-C4' energy: -63.438 flat angles C4'-P-C4' energy: -69.345 flat angles P-C4'-P energy: -47.829 tors. eta vs tors. theta energy: -79.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -953.289932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.289932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.289932 (E_RNA) where: Base-Base interactions energy: -647.175 where: short stacking energy: -290.005 Base-Backbone interact. energy: -0.600 local terms energy: -305.514417 where: bonds (distance) C4'-P energy: -50.640 bonds (distance) P-C4' energy: -55.442 flat angles C4'-P-C4' energy: -70.617 flat angles P-C4'-P energy: -45.257 tors. eta vs tors. theta energy: -83.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -856.328716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.328716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.328716 (E_RNA) where: Base-Base interactions energy: -583.924 where: short stacking energy: -248.123 Base-Backbone interact. energy: -0.441 local terms energy: -271.963676 where: bonds (distance) C4'-P energy: -56.935 bonds (distance) P-C4' energy: -47.327 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -65.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -702.466954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.466954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.466954 (E_RNA) where: Base-Base interactions energy: -465.166 where: short stacking energy: -219.702 Base-Backbone interact. energy: -1.718 local terms energy: -235.582717 where: bonds (distance) C4'-P energy: -56.490 bonds (distance) P-C4' energy: -45.056 flat angles C4'-P-C4' energy: -42.718 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -48.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -513.121000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.121000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.121000 (E_RNA) where: Base-Base interactions energy: -307.223 where: short stacking energy: -161.726 Base-Backbone interact. energy: 1.348 local terms energy: -207.245965 where: bonds (distance) C4'-P energy: -46.191 bonds (distance) P-C4' energy: -55.310 flat angles C4'-P-C4' energy: -54.554 flat angles P-C4'-P energy: -31.321 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -393.107091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.107091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.107091 (E_RNA) where: Base-Base interactions energy: -189.064 where: short stacking energy: -120.107 Base-Backbone interact. energy: 0.882 local terms energy: -204.925973 where: bonds (distance) C4'-P energy: -54.959 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -48.910 flat angles P-C4'-P energy: -36.583 tors. eta vs tors. theta energy: -6.999 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: 273 Temperature: 1.350000 Total energy: -304.985499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.985499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.985499 (E_RNA) where: Base-Base interactions energy: -127.543 where: short stacking energy: -71.164 Base-Backbone interact. energy: -2.133 local terms energy: -175.309868 where: bonds (distance) C4'-P energy: -39.902 bonds (distance) P-C4' energy: -58.443 flat angles C4'-P-C4' energy: -54.028 flat angles P-C4'-P energy: -28.736 tors. eta vs tors. theta energy: 5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1072.478778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.478778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.478778 (E_RNA) where: Base-Base interactions energy: -733.918 where: short stacking energy: -327.532 Base-Backbone interact. energy: -0.934 local terms energy: -337.627043 where: bonds (distance) C4'-P energy: -56.916 bonds (distance) P-C4' energy: -65.327 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -48.366 tors. eta vs tors. theta energy: -99.668 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: 274 Temperature: 0.950000 Total energy: -1077.447590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.447590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.447590 (E_RNA) where: Base-Base interactions energy: -748.087 where: short stacking energy: -306.578 Base-Backbone interact. energy: -1.260 local terms energy: -328.100522 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -57.502 flat angles C4'-P-C4' energy: -72.383 flat angles P-C4'-P energy: -50.351 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: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1022.084054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.084054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.084054 (E_RNA) where: Base-Base interactions energy: -685.684 where: short stacking energy: -301.361 Base-Backbone interact. energy: -3.317 local terms energy: -333.082689 where: bonds (distance) C4'-P energy: -60.358 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -72.883 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -91.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -959.816753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.816753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.816753 (E_RNA) where: Base-Base interactions energy: -652.076 where: short stacking energy: -289.420 Base-Backbone interact. energy: 0.363 local terms energy: -308.103112 where: bonds (distance) C4'-P energy: -50.003 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -931.469035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.469035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.469035 (E_RNA) where: Base-Base interactions energy: -647.518 where: short stacking energy: -261.517 Base-Backbone interact. energy: -0.179 local terms energy: -283.771910 where: bonds (distance) C4'-P energy: -56.725 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -55.213 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -70.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -915.751494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.751494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.751494 (E_RNA) where: Base-Base interactions energy: -617.604 where: short stacking energy: -263.429 Base-Backbone interact. energy: 1.233 local terms energy: -299.380221 where: bonds (distance) C4'-P energy: -65.163 bonds (distance) P-C4' energy: -51.163 flat angles C4'-P-C4' energy: -66.998 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -74.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -714.969547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.969547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.969547 (E_RNA) where: Base-Base interactions energy: -445.886 where: short stacking energy: -202.300 Base-Backbone interact. energy: -1.562 local terms energy: -267.521465 where: bonds (distance) C4'-P energy: -53.074 bonds (distance) P-C4' energy: -60.988 flat angles C4'-P-C4' energy: -60.820 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: -56.995 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: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -583.662209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.662209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.662209 (E_RNA) where: Base-Base interactions energy: -354.596 where: short stacking energy: -172.893 Base-Backbone interact. energy: 0.060 local terms energy: -229.126226 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -59.152 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: -23.752 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: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -376.526754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.526754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.526754 (E_RNA) where: Base-Base interactions energy: -198.349 where: short stacking energy: -136.078 Base-Backbone interact. energy: -2.025 local terms energy: -176.152695 where: bonds (distance) C4'-P energy: -39.898 bonds (distance) P-C4' energy: -49.256 flat angles C4'-P-C4' energy: -57.447 flat angles P-C4'-P energy: -16.341 tors. eta vs tors. theta energy: -13.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -339.605535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.605535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.605535 (E_RNA) where: Base-Base interactions energy: -151.404 where: short stacking energy: -87.484 Base-Backbone interact. energy: 2.230 local terms energy: -190.431737 where: bonds (distance) C4'-P energy: -46.515 bonds (distance) P-C4' energy: -51.668 flat angles C4'-P-C4' energy: -51.266 flat angles P-C4'-P energy: -44.066 tors. eta vs tors. theta energy: 3.083 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: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1098.055048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.055048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.055048 (E_RNA) where: Base-Base interactions energy: -745.542 where: short stacking energy: -332.047 Base-Backbone interact. energy: 0.366 local terms energy: -352.879342 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -64.689 flat angles C4'-P-C4' energy: -71.710 flat angles P-C4'-P energy: -49.150 tors. eta vs tors. theta energy: -102.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1082.152447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.152447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.152447 (E_RNA) where: Base-Base interactions energy: -754.594 where: short stacking energy: -315.705 Base-Backbone interact. energy: -2.171 local terms energy: -325.387788 where: bonds (distance) C4'-P energy: -69.717 bonds (distance) P-C4' energy: -54.632 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -41.938 tors. eta vs tors. theta energy: -84.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1032.301473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.301473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.301473 (E_RNA) where: Base-Base interactions energy: -697.664 where: short stacking energy: -316.072 Base-Backbone interact. energy: -2.419 local terms energy: -332.218165 where: bonds (distance) C4'-P energy: -59.659 bonds (distance) P-C4' energy: -54.296 flat angles C4'-P-C4' energy: -74.155 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -95.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -998.349367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.349367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.349367 (E_RNA) where: Base-Base interactions energy: -664.418 where: short stacking energy: -296.475 Base-Backbone interact. energy: 0.213 local terms energy: -334.144529 where: bonds (distance) C4'-P energy: -62.657 bonds (distance) P-C4' energy: -63.187 flat angles C4'-P-C4' energy: -68.689 flat angles P-C4'-P energy: -44.503 tors. eta vs tors. theta energy: -95.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -905.374739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.374739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.374739 (E_RNA) where: Base-Base interactions energy: -601.132 where: short stacking energy: -262.166 Base-Backbone interact. energy: 0.708 local terms energy: -304.950346 where: bonds (distance) C4'-P energy: -57.452 bonds (distance) P-C4' energy: -58.194 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -49.567 tors. eta vs tors. theta energy: -76.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -895.838722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.838722 (E_RNA) where: Base-Base interactions energy: -589.664 where: short stacking energy: -281.886 Base-Backbone interact. energy: 0.098 local terms energy: -306.273550 where: bonds (distance) C4'-P energy: -60.119 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -54.598 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -74.560 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: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -722.938104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.938104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.938104 (E_RNA) where: Base-Base interactions energy: -462.440 where: short stacking energy: -223.765 Base-Backbone interact. energy: 2.547 local terms energy: -263.045555 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -53.031 flat angles C4'-P-C4' energy: -60.626 flat angles P-C4'-P energy: -34.826 tors. eta vs tors. theta energy: -59.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -586.956639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.956639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.956639 (E_RNA) where: Base-Base interactions energy: -343.462 where: short stacking energy: -178.790 Base-Backbone interact. energy: 5.097 local terms energy: -248.591397 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -64.040 flat angles C4'-P-C4' energy: -52.685 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -32.236 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: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -368.887561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.887561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.887561 (E_RNA) where: Base-Base interactions energy: -186.524 where: short stacking energy: -100.909 Base-Backbone interact. energy: 2.446 local terms energy: -184.809554 where: bonds (distance) C4'-P energy: -48.531 bonds (distance) P-C4' energy: -51.138 flat angles C4'-P-C4' energy: -52.479 flat angles P-C4'-P energy: -29.089 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -359.506704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.506704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.506704 (E_RNA) where: Base-Base interactions energy: -192.943 where: short stacking energy: -105.711 Base-Backbone interact. energy: -1.498 local terms energy: -165.066367 where: bonds (distance) C4'-P energy: -39.642 bonds (distance) P-C4' energy: -50.316 flat angles C4'-P-C4' energy: -46.618 flat angles P-C4'-P energy: -26.807 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1082.341966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.341966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.341966 (E_RNA) where: Base-Base interactions energy: -730.807 where: short stacking energy: -319.840 Base-Backbone interact. energy: -2.227 local terms energy: -349.308390 where: bonds (distance) C4'-P energy: -76.679 bonds (distance) P-C4' energy: -55.166 flat angles C4'-P-C4' energy: -64.553 flat angles P-C4'-P energy: -57.266 tors. eta vs tors. theta energy: -95.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1083.008719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.008719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.008719 (E_RNA) where: Base-Base interactions energy: -736.427 where: short stacking energy: -295.183 Base-Backbone interact. energy: -1.068 local terms energy: -345.513292 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -74.408 flat angles C4'-P-C4' energy: -71.287 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -86.668 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: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1020.513979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.513979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.513979 (E_RNA) where: Base-Base interactions energy: -685.842 where: short stacking energy: -304.953 Base-Backbone interact. energy: -2.783 local terms energy: -331.888440 where: bonds (distance) C4'-P energy: -64.816 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -71.687 flat angles P-C4'-P energy: -45.822 tors. eta vs tors. theta energy: -87.738 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: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -995.584183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.584183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.584183 (E_RNA) where: Base-Base interactions energy: -676.733 where: short stacking energy: -293.145 Base-Backbone interact. energy: -0.683 local terms energy: -318.168061 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -63.183 flat angles C4'-P-C4' energy: -71.630 flat angles P-C4'-P energy: -47.541 tors. eta vs tors. theta energy: -81.455 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: 5, replica: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -890.555734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.555734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.555734 (E_RNA) where: Base-Base interactions energy: -603.258 where: short stacking energy: -258.955 Base-Backbone interact. energy: -0.831 local terms energy: -286.467084 where: bonds (distance) C4'-P energy: -59.811 bonds (distance) P-C4' energy: -62.613 flat angles C4'-P-C4' energy: -68.375 flat angles P-C4'-P energy: -23.951 tors. eta vs tors. theta energy: -71.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -875.361920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.361920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.361920 (E_RNA) where: Base-Base interactions energy: -609.826 where: short stacking energy: -254.437 Base-Backbone interact. energy: 1.381 local terms energy: -266.916762 where: bonds (distance) C4'-P energy: -52.419 bonds (distance) P-C4' energy: -44.780 flat angles C4'-P-C4' energy: -56.723 flat angles P-C4'-P energy: -38.068 tors. eta vs tors. theta energy: -74.926 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: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -689.699159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.699159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.699159 (E_RNA) where: Base-Base interactions energy: -443.824 where: short stacking energy: -218.042 Base-Backbone interact. energy: 0.530 local terms energy: -246.405054 where: bonds (distance) C4'-P energy: -50.763 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -53.846 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: -50.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -620.395735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.395735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.395735 (E_RNA) where: Base-Base interactions energy: -356.113 where: short stacking energy: -200.010 Base-Backbone interact. energy: -0.374 local terms energy: -263.908051 where: bonds (distance) C4'-P energy: -53.952 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -62.279 flat angles P-C4'-P energy: -30.975 tors. eta vs tors. theta energy: -53.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -410.646111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.646111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.646111 (E_RNA) where: Base-Base interactions energy: -216.601 where: short stacking energy: -119.429 Base-Backbone interact. energy: 1.430 local terms energy: -195.474929 where: bonds (distance) C4'-P energy: -43.883 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -50.570 flat angles P-C4'-P energy: -31.823 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -262.938325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.938325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.938325 (E_RNA) where: Base-Base interactions energy: -72.208 where: short stacking energy: -54.120 Base-Backbone interact. energy: -0.643 local terms energy: -190.087471 where: bonds (distance) C4'-P energy: -54.438 bonds (distance) P-C4' energy: -67.067 flat angles C4'-P-C4' energy: -47.033 flat angles P-C4'-P energy: -30.943 tors. eta vs tors. theta energy: 9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1099.739690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.739690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.739690 (E_RNA) where: Base-Base interactions energy: -751.801 where: short stacking energy: -319.774 Base-Backbone interact. energy: -1.049 local terms energy: -346.889727 where: bonds (distance) C4'-P energy: -63.252 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -74.407 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -93.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1091.161553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.161553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.161553 (E_RNA) where: Base-Base interactions energy: -765.938 where: short stacking energy: -312.018 Base-Backbone interact. energy: -1.330 local terms energy: -323.893908 where: bonds (distance) C4'-P energy: -62.525 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -73.528 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -81.278 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: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1037.857947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.857947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.857947 (E_RNA) where: Base-Base interactions energy: -705.065 where: short stacking energy: -301.017 Base-Backbone interact. energy: 1.866 local terms energy: -334.659199 where: bonds (distance) C4'-P energy: -67.512 bonds (distance) P-C4' energy: -65.961 flat angles C4'-P-C4' energy: -68.113 flat angles P-C4'-P energy: -49.724 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: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -999.649251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.649251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.649251 (E_RNA) where: Base-Base interactions energy: -673.132 where: short stacking energy: -295.294 Base-Backbone interact. energy: -0.347 local terms energy: -326.170323 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -53.300 flat angles C4'-P-C4' energy: -68.993 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -90.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -908.802793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.802793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.802793 (E_RNA) where: Base-Base interactions energy: -588.647 where: short stacking energy: -253.859 Base-Backbone interact. energy: -1.361 local terms energy: -318.795002 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -54.038 flat angles P-C4'-P energy: -50.444 tors. eta vs tors. theta energy: -77.550 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -941.586391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.586391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.586391 (E_RNA) where: Base-Base interactions energy: -643.398 where: short stacking energy: -269.641 Base-Backbone interact. energy: -1.185 local terms energy: -297.002811 where: bonds (distance) C4'-P energy: -59.366 bonds (distance) P-C4' energy: -57.296 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -44.462 tors. eta vs tors. theta energy: -67.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -684.633427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.633427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.633427 (E_RNA) where: Base-Base interactions energy: -436.899 where: short stacking energy: -197.272 Base-Backbone interact. energy: -0.675 local terms energy: -247.059271 where: bonds (distance) C4'-P energy: -40.901 bonds (distance) P-C4' energy: -63.702 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -43.488 tors. eta vs tors. theta energy: -39.519 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: 5 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -559.377422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.377422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.377422 (E_RNA) where: Base-Base interactions energy: -341.058 where: short stacking energy: -161.074 Base-Backbone interact. energy: -1.231 local terms energy: -217.088226 where: bonds (distance) C4'-P energy: -57.716 bonds (distance) P-C4' energy: -58.092 flat angles C4'-P-C4' energy: -45.874 flat angles P-C4'-P energy: -25.260 tors. eta vs tors. theta energy: -30.145 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: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -387.880334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.880334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.880334 (E_RNA) where: Base-Base interactions energy: -191.466 where: short stacking energy: -121.030 Base-Backbone interact. energy: 0.761 local terms energy: -197.175051 where: bonds (distance) C4'-P energy: -52.059 bonds (distance) P-C4' energy: -61.382 flat angles C4'-P-C4' energy: -38.832 flat angles P-C4'-P energy: -34.627 tors. eta vs tors. theta energy: -10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -326.874901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.874901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.874901 (E_RNA) where: Base-Base interactions energy: -148.327 where: short stacking energy: -86.720 Base-Backbone interact. energy: 0.450 local terms energy: -178.998379 where: bonds (distance) C4'-P energy: -54.958 bonds (distance) P-C4' energy: -56.061 flat angles C4'-P-C4' energy: -41.713 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: 6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1108.391404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.391404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.391404 (E_RNA) where: Base-Base interactions energy: -784.835 where: short stacking energy: -305.961 Base-Backbone interact. energy: -2.425 local terms energy: -321.131773 where: bonds (distance) C4'-P energy: -64.715 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -68.121 flat angles P-C4'-P energy: -47.351 tors. eta vs tors. theta energy: -79.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1072.426426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.426426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.426426 (E_RNA) where: Base-Base interactions energy: -732.837 where: short stacking energy: -304.348 Base-Backbone interact. energy: 1.639 local terms energy: -341.228321 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -67.819 flat angles C4'-P-C4' energy: -71.630 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -93.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1057.584323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.584323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.584323 (E_RNA) where: Base-Base interactions energy: -714.377 where: short stacking energy: -322.572 Base-Backbone interact. energy: -0.156 local terms energy: -343.051422 where: bonds (distance) C4'-P energy: -70.547 bonds (distance) P-C4' energy: -60.741 flat angles C4'-P-C4' energy: -71.833 flat angles P-C4'-P energy: -45.201 tors. eta vs tors. theta energy: -94.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -976.714637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.714637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.714637 (E_RNA) where: Base-Base interactions energy: -679.079 where: short stacking energy: -291.385 Base-Backbone interact. energy: 1.680 local terms energy: -299.315753 where: bonds (distance) C4'-P energy: -44.885 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -60.436 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -82.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -929.854707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.854707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.854707 (E_RNA) where: Base-Base interactions energy: -624.790 where: short stacking energy: -278.282 Base-Backbone interact. energy: -1.617 local terms energy: -303.447573 where: bonds (distance) C4'-P energy: -52.732 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -78.513 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: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -816.689509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.689509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.689509 (E_RNA) where: Base-Base interactions energy: -538.985 where: short stacking energy: -219.114 Base-Backbone interact. energy: -2.014 local terms energy: -275.690643 where: bonds (distance) C4'-P energy: -54.762 bonds (distance) P-C4' energy: -59.651 flat angles C4'-P-C4' energy: -60.556 flat angles P-C4'-P energy: -44.844 tors. eta vs tors. theta energy: -55.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -709.084394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.084394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.084394 (E_RNA) where: Base-Base interactions energy: -457.333 where: short stacking energy: -208.305 Base-Backbone interact. energy: 1.119 local terms energy: -252.870358 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -48.758 flat angles C4'-P-C4' energy: -63.235 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -42.362 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: 278 Temperature: 1.250000 Total energy: -595.354244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.354244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.354244 (E_RNA) where: Base-Base interactions energy: -370.422 where: short stacking energy: -178.668 Base-Backbone interact. energy: -2.084 local terms energy: -222.848182 where: bonds (distance) C4'-P energy: -50.038 bonds (distance) P-C4' energy: -49.380 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -35.368 tors. eta vs tors. theta energy: -28.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -422.969802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.969802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.969802 (E_RNA) where: Base-Base interactions energy: -232.697 where: short stacking energy: -131.646 Base-Backbone interact. energy: 0.779 local terms energy: -191.051788 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -41.147 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -31.323 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -258.671424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.671424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.671424 (E_RNA) where: Base-Base interactions energy: -87.012 where: short stacking energy: -72.804 Base-Backbone interact. energy: -0.462 local terms energy: -171.197515 where: bonds (distance) C4'-P energy: -50.133 bonds (distance) P-C4' energy: -58.681 flat angles C4'-P-C4' energy: -46.551 flat angles P-C4'-P energy: -19.646 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: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1090.394305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.394305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.394305 (E_RNA) where: Base-Base interactions energy: -762.598 where: short stacking energy: -275.716 Base-Backbone interact. energy: -0.931 local terms energy: -326.865008 where: bonds (distance) C4'-P energy: -71.923 bonds (distance) P-C4' energy: -67.580 flat angles C4'-P-C4' energy: -71.200 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -66.207 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: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1093.557061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.557061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.557061 (E_RNA) where: Base-Base interactions energy: -755.489 where: short stacking energy: -344.300 Base-Backbone interact. energy: -0.763 local terms energy: -337.304676 where: bonds (distance) C4'-P energy: -60.508 bonds (distance) P-C4' energy: -61.186 flat angles C4'-P-C4' energy: -67.883 flat angles P-C4'-P energy: -40.505 tors. eta vs tors. theta energy: -107.222 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: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1005.988883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.988883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.988883 (E_RNA) where: Base-Base interactions energy: -680.990 where: short stacking energy: -309.657 Base-Backbone interact. energy: 1.787 local terms energy: -326.786553 where: bonds (distance) C4'-P energy: -69.200 bonds (distance) P-C4' energy: -52.053 flat angles C4'-P-C4' energy: -65.384 flat angles P-C4'-P energy: -54.141 tors. eta vs tors. theta energy: -86.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -995.965091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.965091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.965091 (E_RNA) where: Base-Base interactions energy: -671.757 where: short stacking energy: -303.224 Base-Backbone interact. energy: 0.611 local terms energy: -324.818933 where: bonds (distance) C4'-P energy: -51.764 bonds (distance) P-C4' energy: -65.201 flat angles C4'-P-C4' energy: -71.482 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -83.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -963.034373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.034373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.034373 (E_RNA) where: Base-Base interactions energy: -642.183 where: short stacking energy: -304.243 Base-Backbone interact. energy: -0.456 local terms energy: -320.395578 where: bonds (distance) C4'-P energy: -56.641 bonds (distance) P-C4' energy: -62.426 flat angles C4'-P-C4' energy: -63.582 flat angles P-C4'-P energy: -41.768 tors. eta vs tors. theta energy: -95.979 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -859.114974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.114974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.114974 (E_RNA) where: Base-Base interactions energy: -573.626 where: short stacking energy: -243.612 Base-Backbone interact. energy: -0.437 local terms energy: -285.052019 where: bonds (distance) C4'-P energy: -56.107 bonds (distance) P-C4' energy: -59.000 flat angles C4'-P-C4' energy: -66.175 flat angles P-C4'-P energy: -32.674 tors. eta vs tors. theta energy: -71.097 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: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -743.089090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.089090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.089090 (E_RNA) where: Base-Base interactions energy: -479.326 where: short stacking energy: -233.574 Base-Backbone interact. energy: -2.282 local terms energy: -261.480757 where: bonds (distance) C4'-P energy: -49.833 bonds (distance) P-C4' energy: -50.245 flat angles C4'-P-C4' energy: -57.334 flat angles P-C4'-P energy: -44.001 tors. eta vs tors. theta energy: -60.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -601.850458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.850458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.850458 (E_RNA) where: Base-Base interactions energy: -367.448 where: short stacking energy: -177.244 Base-Backbone interact. energy: -0.183 local terms energy: -234.219409 where: bonds (distance) C4'-P energy: -60.375 bonds (distance) P-C4' energy: -62.436 flat angles C4'-P-C4' energy: -47.882 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: -26.083 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: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -493.952619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.952619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.952619 (E_RNA) where: Base-Base interactions energy: -288.157 where: short stacking energy: -148.785 Base-Backbone interact. energy: -1.122 local terms energy: -204.674026 where: bonds (distance) C4'-P energy: -43.954 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -47.875 flat angles P-C4'-P energy: -26.606 tors. eta vs tors. theta energy: -28.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -258.662852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.662852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.662852 (E_RNA) where: Base-Base interactions energy: -82.496 where: short stacking energy: -74.461 Base-Backbone interact. energy: -0.394 local terms energy: -175.773518 where: bonds (distance) C4'-P energy: -45.562 bonds (distance) P-C4' energy: -69.414 flat angles C4'-P-C4' energy: -39.559 flat angles P-C4'-P energy: -19.469 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1096.592664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.592664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.592664 (E_RNA) where: Base-Base interactions energy: -775.171 where: short stacking energy: -303.291 Base-Backbone interact. energy: 1.434 local terms energy: -322.856190 where: bonds (distance) C4'-P energy: -58.905 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -70.253 flat angles P-C4'-P energy: -49.923 tors. eta vs tors. theta energy: -85.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1053.257981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.257981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.257981 (E_RNA) where: Base-Base interactions energy: -720.337 where: short stacking energy: -319.184 Base-Backbone interact. energy: 0.691 local terms energy: -333.611861 where: bonds (distance) C4'-P energy: -53.149 bonds (distance) P-C4' energy: -62.230 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -44.147 tors. eta vs tors. theta energy: -100.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1014.555068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.555068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.555068 (E_RNA) where: Base-Base interactions energy: -695.245 where: short stacking energy: -280.342 Base-Backbone interact. energy: -0.122 local terms energy: -319.187953 where: bonds (distance) C4'-P energy: -56.622 bonds (distance) P-C4' energy: -68.387 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -48.835 tors. eta vs tors. theta energy: -77.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -992.221264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.221264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.221264 (E_RNA) where: Base-Base interactions energy: -653.181 where: short stacking energy: -300.992 Base-Backbone interact. energy: -1.415 local terms energy: -337.626008 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -68.861 flat angles P-C4'-P energy: -44.434 tors. eta vs tors. theta energy: -87.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -920.278478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.278478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.278478 (E_RNA) where: Base-Base interactions energy: -605.086 where: short stacking energy: -276.908 Base-Backbone interact. energy: -1.610 local terms energy: -313.582708 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -54.058 flat angles C4'-P-C4' energy: -62.615 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -80.734 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: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -884.751749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.751749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.751749 (E_RNA) where: Base-Base interactions energy: -590.841 where: short stacking energy: -255.685 Base-Backbone interact. energy: 0.405 local terms energy: -294.315493 where: bonds (distance) C4'-P energy: -45.445 bonds (distance) P-C4' energy: -58.896 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -45.357 tors. eta vs tors. theta energy: -75.171 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: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -696.927116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.927116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.927116 (E_RNA) where: Base-Base interactions energy: -451.782 where: short stacking energy: -206.317 Base-Backbone interact. energy: -0.971 local terms energy: -244.173804 where: bonds (distance) C4'-P energy: -47.538 bonds (distance) P-C4' energy: -61.914 flat angles C4'-P-C4' energy: -58.675 flat angles P-C4'-P energy: -36.151 tors. eta vs tors. theta energy: -39.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -589.246553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.246553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.246553 (E_RNA) where: Base-Base interactions energy: -354.379 where: short stacking energy: -173.416 Base-Backbone interact. energy: 0.042 local terms energy: -234.910169 where: bonds (distance) C4'-P energy: -54.489 bonds (distance) P-C4' energy: -55.533 flat angles C4'-P-C4' energy: -51.377 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -34.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -532.820262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.820262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.820262 (E_RNA) where: Base-Base interactions energy: -308.388 where: short stacking energy: -160.789 Base-Backbone interact. energy: -1.291 local terms energy: -223.141550 where: bonds (distance) C4'-P energy: -53.374 bonds (distance) P-C4' energy: -57.540 flat angles C4'-P-C4' energy: -52.615 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -20.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -316.499698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.499698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.499698 (E_RNA) where: Base-Base interactions energy: -128.478 where: short stacking energy: -93.743 Base-Backbone interact. energy: -0.791 local terms energy: -187.230362 where: bonds (distance) C4'-P energy: -49.623 bonds (distance) P-C4' energy: -57.264 flat angles C4'-P-C4' energy: -52.773 flat angles P-C4'-P energy: -29.256 tors. eta vs tors. theta energy: 1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1098.088164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.088164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.088164 (E_RNA) where: Base-Base interactions energy: -770.723 where: short stacking energy: -288.074 Base-Backbone interact. energy: 4.799 local terms energy: -332.163712 where: bonds (distance) C4'-P energy: -67.547 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -48.792 tors. eta vs tors. theta energy: -78.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1045.801231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.801231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.801231 (E_RNA) where: Base-Base interactions energy: -710.899 where: short stacking energy: -298.515 Base-Backbone interact. energy: -0.534 local terms energy: -334.367715 where: bonds (distance) C4'-P energy: -66.017 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -67.694 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -89.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1039.872228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.872228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.872228 (E_RNA) where: Base-Base interactions energy: -715.701 where: short stacking energy: -311.707 Base-Backbone interact. energy: 2.331 local terms energy: -326.501677 where: bonds (distance) C4'-P energy: -58.810 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -93.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -996.556732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.556732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.556732 (E_RNA) where: Base-Base interactions energy: -675.494 where: short stacking energy: -307.966 Base-Backbone interact. energy: -0.661 local terms energy: -320.401428 where: bonds (distance) C4'-P energy: -47.204 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -42.280 tors. eta vs tors. theta energy: -91.761 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: 281 Temperature: 1.100000 Total energy: -936.592742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.592742 (E_RNA) where: Base-Base interactions energy: -628.827 where: short stacking energy: -279.574 Base-Backbone interact. energy: -1.941 local terms energy: -305.824145 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -58.652 flat angles C4'-P-C4' energy: -61.834 flat angles P-C4'-P energy: -45.520 tors. eta vs tors. theta energy: -84.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -886.016088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.016088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.016088 (E_RNA) where: Base-Base interactions energy: -608.019 where: short stacking energy: -258.913 Base-Backbone interact. energy: -0.745 local terms energy: -277.251778 where: bonds (distance) C4'-P energy: -55.244 bonds (distance) P-C4' energy: -57.148 flat angles C4'-P-C4' energy: -61.264 flat angles P-C4'-P energy: -31.730 tors. eta vs tors. theta energy: -71.866 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: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -716.009024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.009024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.009024 (E_RNA) where: Base-Base interactions energy: -451.286 where: short stacking energy: -223.795 Base-Backbone interact. energy: -1.367 local terms energy: -263.356015 where: bonds (distance) C4'-P energy: -53.972 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -63.595 flat angles P-C4'-P energy: -42.648 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: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -592.217278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.217278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.217278 (E_RNA) where: Base-Base interactions energy: -355.274 where: short stacking energy: -163.123 Base-Backbone interact. energy: -0.578 local terms energy: -236.365899 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -44.906 flat angles C4'-P-C4' energy: -63.429 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -29.989 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: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -535.578541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.578541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.578541 (E_RNA) where: Base-Base interactions energy: -315.771 where: short stacking energy: -173.514 Base-Backbone interact. energy: -1.046 local terms energy: -218.761269 where: bonds (distance) C4'-P energy: -53.991 bonds (distance) P-C4' energy: -55.762 flat angles C4'-P-C4' energy: -46.025 flat angles P-C4'-P energy: -26.547 tors. eta vs tors. theta energy: -36.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -265.941114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.941114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.941114 (E_RNA) where: Base-Base interactions energy: -100.839 where: short stacking energy: -78.841 Base-Backbone interact. energy: 0.177 local terms energy: -165.279113 where: bonds (distance) C4'-P energy: -54.945 bonds (distance) P-C4' energy: -50.539 flat angles C4'-P-C4' energy: -38.271 flat angles P-C4'-P energy: -31.233 tors. eta vs tors. theta energy: 9.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1103.942934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.942934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.942934 (E_RNA) where: Base-Base interactions energy: -769.455 where: short stacking energy: -292.421 Base-Backbone interact. energy: -2.252 local terms energy: -332.235555 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -69.832 flat angles C4'-P-C4' energy: -70.614 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -81.358 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1064.412131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.412131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.412131 (E_RNA) where: Base-Base interactions energy: -722.060 where: short stacking energy: -326.044 Base-Backbone interact. energy: -1.603 local terms energy: -340.749539 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -57.849 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -47.944 tors. eta vs tors. theta energy: -97.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1022.623951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.623951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.623951 (E_RNA) where: Base-Base interactions energy: -682.256 where: short stacking energy: -330.743 Base-Backbone interact. energy: -1.177 local terms energy: -339.191649 where: bonds (distance) C4'-P energy: -66.846 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -72.256 flat angles P-C4'-P energy: -42.587 tors. eta vs tors. theta energy: -97.321 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: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -967.047907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.047907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.047907 (E_RNA) where: Base-Base interactions energy: -647.119 where: short stacking energy: -288.496 Base-Backbone interact. energy: -0.943 local terms energy: -318.985744 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -62.730 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -81.594 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: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -924.061915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.061915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.061915 (E_RNA) where: Base-Base interactions energy: -637.716 where: short stacking energy: -272.361 Base-Backbone interact. energy: -1.960 local terms energy: -284.385906 where: bonds (distance) C4'-P energy: -49.408 bonds (distance) P-C4' energy: -62.402 flat angles C4'-P-C4' energy: -55.946 flat angles P-C4'-P energy: -39.573 tors. eta vs tors. theta energy: -77.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -912.879561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.879561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.879561 (E_RNA) where: Base-Base interactions energy: -601.039 where: short stacking energy: -264.070 Base-Backbone interact. energy: 0.536 local terms energy: -312.376907 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -65.524 flat angles C4'-P-C4' energy: -63.604 flat angles P-C4'-P energy: -34.155 tors. eta vs tors. theta energy: -91.590 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: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -722.472849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.472849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.472849 (E_RNA) where: Base-Base interactions energy: -454.198 where: short stacking energy: -218.381 Base-Backbone interact. energy: -0.568 local terms energy: -267.706933 where: bonds (distance) C4'-P energy: -57.171 bonds (distance) P-C4' energy: -62.624 flat angles C4'-P-C4' energy: -59.138 flat angles P-C4'-P energy: -38.192 tors. eta vs tors. theta energy: -50.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -567.149988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.149988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.149988 (E_RNA) where: Base-Base interactions energy: -332.067 where: short stacking energy: -166.893 Base-Backbone interact. energy: -0.790 local terms energy: -234.292380 where: bonds (distance) C4'-P energy: -51.182 bonds (distance) P-C4' energy: -52.174 flat angles C4'-P-C4' energy: -63.726 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -33.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -554.187639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.187639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.187639 (E_RNA) where: Base-Base interactions energy: -340.786 where: short stacking energy: -161.765 Base-Backbone interact. energy: 2.677 local terms energy: -216.078823 where: bonds (distance) C4'-P energy: -53.952 bonds (distance) P-C4' energy: -51.408 flat angles C4'-P-C4' energy: -47.596 flat angles P-C4'-P energy: -28.555 tors. eta vs tors. theta energy: -34.568 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: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -272.676180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.676180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.676180 (E_RNA) where: Base-Base interactions energy: -80.843 where: short stacking energy: -52.750 Base-Backbone interact. energy: 0.398 local terms energy: -192.230431 where: bonds (distance) C4'-P energy: -49.882 bonds (distance) P-C4' energy: -62.386 flat angles C4'-P-C4' energy: -52.078 flat angles P-C4'-P energy: -37.326 tors. eta vs tors. theta energy: 9.441 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: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1095.761466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.761466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.761466 (E_RNA) where: Base-Base interactions energy: -756.850 where: short stacking energy: -304.222 Base-Backbone interact. energy: -1.183 local terms energy: -337.728140 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -67.169 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -82.348 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: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1053.071011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.071011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.071011 (E_RNA) where: Base-Base interactions energy: -714.751 where: short stacking energy: -302.654 Base-Backbone interact. energy: -1.423 local terms energy: -336.896758 where: bonds (distance) C4'-P energy: -66.388 bonds (distance) P-C4' energy: -69.767 flat angles C4'-P-C4' energy: -67.177 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: -86.873 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: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -996.577988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.577988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.577988 (E_RNA) where: Base-Base interactions energy: -661.452 where: short stacking energy: -302.303 Base-Backbone interact. energy: 0.874 local terms energy: -336.000067 where: bonds (distance) C4'-P energy: -59.970 bonds (distance) P-C4' energy: -60.946 flat angles C4'-P-C4' energy: -76.040 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -92.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -940.969296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.969296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.969296 (E_RNA) where: Base-Base interactions energy: -640.499 where: short stacking energy: -286.770 Base-Backbone interact. energy: -1.252 local terms energy: -299.217633 where: bonds (distance) C4'-P energy: -59.451 bonds (distance) P-C4' energy: -52.690 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -45.704 tors. eta vs tors. theta energy: -78.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -950.581975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.581975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.581975 (E_RNA) where: Base-Base interactions energy: -634.764 where: short stacking energy: -281.172 Base-Backbone interact. energy: -1.573 local terms energy: -314.245011 where: bonds (distance) C4'-P energy: -61.108 bonds (distance) P-C4' energy: -62.191 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -79.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -901.870168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.870168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.870168 (E_RNA) where: Base-Base interactions energy: -603.326 where: short stacking energy: -271.604 Base-Backbone interact. energy: -0.946 local terms energy: -297.597885 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -57.393 flat angles C4'-P-C4' energy: -66.904 flat angles P-C4'-P energy: -42.175 tors. eta vs tors. theta energy: -75.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -707.758128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.758128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.758128 (E_RNA) where: Base-Base interactions energy: -439.983 where: short stacking energy: -209.042 Base-Backbone interact. energy: -0.962 local terms energy: -266.814043 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -61.742 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -30.903 tors. eta vs tors. theta energy: -45.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -575.103352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.103352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.103352 (E_RNA) where: Base-Base interactions energy: -345.705 where: short stacking energy: -174.856 Base-Backbone interact. energy: -0.556 local terms energy: -228.842906 where: bonds (distance) C4'-P energy: -61.242 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -50.366 flat angles P-C4'-P energy: -29.353 tors. eta vs tors. theta energy: -29.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -528.904869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.904869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.904869 (E_RNA) where: Base-Base interactions energy: -325.219 where: short stacking energy: -156.971 Base-Backbone interact. energy: -1.173 local terms energy: -202.512508 where: bonds (distance) C4'-P energy: -47.173 bonds (distance) P-C4' energy: -50.336 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -30.864 tors. eta vs tors. theta energy: -14.530 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: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -271.637879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.637879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.637879 (E_RNA) where: Base-Base interactions energy: -79.043 where: short stacking energy: -67.101 Base-Backbone interact. energy: 2.775 local terms energy: -195.369739 where: bonds (distance) C4'-P energy: -53.602 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -48.087 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: 7.474 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: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1097.918749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.918749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.918749 (E_RNA) where: Base-Base interactions energy: -747.874 where: short stacking energy: -337.842 Base-Backbone interact. energy: 1.259 local terms energy: -351.304052 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -69.367 flat angles C4'-P-C4' energy: -71.461 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -97.621 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: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1067.620349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.620349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.620349 (E_RNA) where: Base-Base interactions energy: -726.272 where: short stacking energy: -298.761 Base-Backbone interact. energy: -1.987 local terms energy: -339.362263 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -66.299 flat angles C4'-P-C4' energy: -72.936 flat angles P-C4'-P energy: -55.883 tors. eta vs tors. theta energy: -80.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -995.570278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.570278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.570278 (E_RNA) where: Base-Base interactions energy: -665.491 where: short stacking energy: -281.979 Base-Backbone interact. energy: -1.721 local terms energy: -328.358123 where: bonds (distance) C4'-P energy: -55.843 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -68.837 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: -86.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -948.975388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.975388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.975388 (E_RNA) where: Base-Base interactions energy: -628.221 where: short stacking energy: -271.892 Base-Backbone interact. energy: -0.094 local terms energy: -320.660761 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -72.165 flat angles P-C4'-P energy: -36.710 tors. eta vs tors. theta energy: -86.675 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: 284 Temperature: 1.100000 Total energy: -964.820430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.820430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.820430 (E_RNA) where: Base-Base interactions energy: -655.948 where: short stacking energy: -263.464 Base-Backbone interact. energy: -1.032 local terms energy: -307.841184 where: bonds (distance) C4'-P energy: -49.511 bonds (distance) P-C4' energy: -62.325 flat angles C4'-P-C4' energy: -67.803 flat angles P-C4'-P energy: -50.007 tors. eta vs tors. theta energy: -78.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -894.801830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.801830 (E_RNA) where: Base-Base interactions energy: -592.299 where: short stacking energy: -276.251 Base-Backbone interact. energy: -2.397 local terms energy: -300.106198 where: bonds (distance) C4'-P energy: -52.033 bonds (distance) P-C4' energy: -56.641 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -49.418 tors. eta vs tors. theta energy: -76.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -700.997854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.997854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.997854 (E_RNA) where: Base-Base interactions energy: -439.713 where: short stacking energy: -205.041 Base-Backbone interact. energy: -1.863 local terms energy: -259.421220 where: bonds (distance) C4'-P energy: -62.180 bonds (distance) P-C4' energy: -50.694 flat angles C4'-P-C4' energy: -55.615 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -45.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -567.072736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.072736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.072736 (E_RNA) where: Base-Base interactions energy: -329.833 where: short stacking energy: -162.068 Base-Backbone interact. energy: 1.206 local terms energy: -238.445908 where: bonds (distance) C4'-P energy: -52.288 bonds (distance) P-C4' energy: -71.923 flat angles C4'-P-C4' energy: -53.043 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: -26.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -499.191553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.191553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.191553 (E_RNA) where: Base-Base interactions energy: -280.863 where: short stacking energy: -140.691 Base-Backbone interact. energy: 1.261 local terms energy: -219.589580 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -59.350 flat angles P-C4'-P energy: -30.702 tors. eta vs tors. theta energy: -15.157 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: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -292.409885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.409885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.409885 (E_RNA) where: Base-Base interactions energy: -119.624 where: short stacking energy: -102.078 Base-Backbone interact. energy: 0.430 local terms energy: -173.215942 where: bonds (distance) C4'-P energy: -47.734 bonds (distance) P-C4' energy: -53.392 flat angles C4'-P-C4' energy: -41.462 flat angles P-C4'-P energy: -36.038 tors. eta vs tors. theta energy: 5.409 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: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1110.385235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.385235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.385235 (E_RNA) where: Base-Base interactions energy: -745.324 where: short stacking energy: -335.898 Base-Backbone interact. energy: -1.135 local terms energy: -363.926437 where: bonds (distance) C4'-P energy: -62.018 bonds (distance) P-C4' energy: -70.863 flat angles C4'-P-C4' energy: -80.199 flat angles P-C4'-P energy: -48.997 tors. eta vs tors. theta energy: -101.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1082.791323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.791323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.791323 (E_RNA) where: Base-Base interactions energy: -741.476 where: short stacking energy: -312.504 Base-Backbone interact. energy: -0.490 local terms energy: -340.824708 where: bonds (distance) C4'-P energy: -62.986 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -69.941 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -85.013 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: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -993.010426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.010426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.010426 (E_RNA) where: Base-Base interactions energy: -689.360 where: short stacking energy: -290.389 Base-Backbone interact. energy: -0.325 local terms energy: -303.325596 where: bonds (distance) C4'-P energy: -45.776 bonds (distance) P-C4' energy: -56.790 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -41.763 tors. eta vs tors. theta energy: -89.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -990.521457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.521457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.521457 (E_RNA) where: Base-Base interactions energy: -675.016 where: short stacking energy: -286.652 Base-Backbone interact. energy: -0.188 local terms energy: -315.317637 where: bonds (distance) C4'-P energy: -55.817 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -69.315 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -74.725 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: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -916.616288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.616288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.616288 (E_RNA) where: Base-Base interactions energy: -586.813 where: short stacking energy: -258.246 Base-Backbone interact. energy: -0.458 local terms energy: -329.345594 where: bonds (distance) C4'-P energy: -63.445 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -84.270 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: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -897.028721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.028721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.028721 (E_RNA) where: Base-Base interactions energy: -606.956 where: short stacking energy: -268.933 Base-Backbone interact. energy: 1.306 local terms energy: -291.377918 where: bonds (distance) C4'-P energy: -61.541 bonds (distance) P-C4' energy: -47.204 flat angles C4'-P-C4' energy: -69.682 flat angles P-C4'-P energy: -45.007 tors. eta vs tors. theta energy: -67.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -705.073443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.073443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.073443 (E_RNA) where: Base-Base interactions energy: -453.787 where: short stacking energy: -216.666 Base-Backbone interact. energy: -0.874 local terms energy: -250.413132 where: bonds (distance) C4'-P energy: -37.963 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -62.133 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -44.882 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: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -556.464205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.464205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.464205 (E_RNA) where: Base-Base interactions energy: -334.299 where: short stacking energy: -154.435 Base-Backbone interact. energy: -0.628 local terms energy: -221.537762 where: bonds (distance) C4'-P energy: -54.442 bonds (distance) P-C4' energy: -50.699 flat angles C4'-P-C4' energy: -60.726 flat angles P-C4'-P energy: -26.878 tors. eta vs tors. theta energy: -28.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -355.919042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.919042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.919042 (E_RNA) where: Base-Base interactions energy: -172.451 where: short stacking energy: -99.238 Base-Backbone interact. energy: -0.261 local terms energy: -183.206895 where: bonds (distance) C4'-P energy: -42.462 bonds (distance) P-C4' energy: -59.358 flat angles C4'-P-C4' energy: -41.544 flat angles P-C4'-P energy: -37.450 tors. eta vs tors. theta energy: -2.393 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -277.102088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.102088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.102088 (E_RNA) where: Base-Base interactions energy: -104.651 where: short stacking energy: -64.619 Base-Backbone interact. energy: -2.521 local terms energy: -169.930247 where: bonds (distance) C4'-P energy: -57.336 bonds (distance) P-C4' energy: -74.609 flat angles C4'-P-C4' energy: -35.717 flat angles P-C4'-P energy: -20.137 tors. eta vs tors. theta energy: 17.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1095.911672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.911672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.911672 (E_RNA) where: Base-Base interactions energy: -750.979 where: short stacking energy: -345.853 Base-Backbone interact. energy: 0.902 local terms energy: -345.834105 where: bonds (distance) C4'-P energy: -61.060 bonds (distance) P-C4' energy: -72.964 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -98.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1068.553078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.553078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.553078 (E_RNA) where: Base-Base interactions energy: -745.710 where: short stacking energy: -304.072 Base-Backbone interact. energy: -1.396 local terms energy: -321.447374 where: bonds (distance) C4'-P energy: -59.996 bonds (distance) P-C4' energy: -63.077 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -45.196 tors. eta vs tors. theta energy: -82.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -996.814924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.814924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.814924 (E_RNA) where: Base-Base interactions energy: -670.354 where: short stacking energy: -298.813 Base-Backbone interact. energy: -0.171 local terms energy: -326.289667 where: bonds (distance) C4'-P energy: -53.000 bonds (distance) P-C4' energy: -65.875 flat angles C4'-P-C4' energy: -72.006 flat angles P-C4'-P energy: -50.795 tors. eta vs tors. theta energy: -84.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -970.165641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.165641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.165641 (E_RNA) where: Base-Base interactions energy: -654.316 where: short stacking energy: -279.674 Base-Backbone interact. energy: 0.017 local terms energy: -315.866976 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -66.143 flat angles C4'-P-C4' energy: -60.101 flat angles P-C4'-P energy: -45.952 tors. eta vs tors. theta energy: -84.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -863.105841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.105841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.105841 (E_RNA) where: Base-Base interactions energy: -572.858 where: short stacking energy: -233.853 Base-Backbone interact. energy: -1.701 local terms energy: -288.546892 where: bonds (distance) C4'-P energy: -63.453 bonds (distance) P-C4' energy: -57.103 flat angles C4'-P-C4' energy: -63.309 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -69.942 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: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -873.018273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.018273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.018273 (E_RNA) where: Base-Base interactions energy: -595.846 where: short stacking energy: -246.704 Base-Backbone interact. energy: -0.949 local terms energy: -276.222955 where: bonds (distance) C4'-P energy: -46.950 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -57.356 flat angles P-C4'-P energy: -34.608 tors. eta vs tors. theta energy: -72.010 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: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -708.063408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.063408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.063408 (E_RNA) where: Base-Base interactions energy: -452.971 where: short stacking energy: -225.922 Base-Backbone interact. energy: -0.746 local terms energy: -254.346153 where: bonds (distance) C4'-P energy: -54.416 bonds (distance) P-C4' energy: -54.213 flat angles C4'-P-C4' energy: -68.852 flat angles P-C4'-P energy: -26.152 tors. eta vs tors. theta energy: -50.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -577.338991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.338991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.338991 (E_RNA) where: Base-Base interactions energy: -344.504 where: short stacking energy: -173.391 Base-Backbone interact. energy: -2.721 local terms energy: -230.114603 where: bonds (distance) C4'-P energy: -47.488 bonds (distance) P-C4' energy: -60.733 flat angles C4'-P-C4' energy: -63.007 flat angles P-C4'-P energy: -25.926 tors. eta vs tors. theta energy: -32.961 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: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -420.138478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.138478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.138478 (E_RNA) where: Base-Base interactions energy: -223.858 where: short stacking energy: -118.026 Base-Backbone interact. energy: 1.071 local terms energy: -197.351595 where: bonds (distance) C4'-P energy: -41.744 bonds (distance) P-C4' energy: -48.441 flat angles C4'-P-C4' energy: -54.751 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -18.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -271.303068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.303068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.303068 (E_RNA) where: Base-Base interactions energy: -102.065 where: short stacking energy: -59.772 Base-Backbone interact. energy: -0.274 local terms energy: -168.964753 where: bonds (distance) C4'-P energy: -40.009 bonds (distance) P-C4' energy: -58.210 flat angles C4'-P-C4' energy: -57.714 flat angles P-C4'-P energy: -28.485 tors. eta vs tors. theta energy: 15.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1102.825821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.825821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.825821 (E_RNA) where: Base-Base interactions energy: -766.241 where: short stacking energy: -347.764 Base-Backbone interact. energy: -0.811 local terms energy: -335.773330 where: bonds (distance) C4'-P energy: -59.993 bonds (distance) P-C4' energy: -60.693 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -46.365 tors. eta vs tors. theta energy: -100.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1072.392873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.392873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.392873 (E_RNA) where: Base-Base interactions energy: -752.964 where: short stacking energy: -307.878 Base-Backbone interact. energy: -1.834 local terms energy: -317.595540 where: bonds (distance) C4'-P energy: -55.257 bonds (distance) P-C4' energy: -62.569 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -44.836 tors. eta vs tors. theta energy: -84.784 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: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -987.199569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.199569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.199569 (E_RNA) where: Base-Base interactions energy: -656.530 where: short stacking energy: -298.261 Base-Backbone interact. energy: -0.881 local terms energy: -329.789356 where: bonds (distance) C4'-P energy: -62.187 bonds (distance) P-C4' energy: -64.514 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -88.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1004.554984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.554984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.554984 (E_RNA) where: Base-Base interactions energy: -690.303 where: short stacking energy: -297.392 Base-Backbone interact. energy: -0.975 local terms energy: -313.276566 where: bonds (distance) C4'-P energy: -61.245 bonds (distance) P-C4' energy: -51.440 flat angles C4'-P-C4' energy: -67.030 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -88.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -881.613025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.613025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.613025 (E_RNA) where: Base-Base interactions energy: -597.666 where: short stacking energy: -261.762 Base-Backbone interact. energy: -1.865 local terms energy: -282.082564 where: bonds (distance) C4'-P energy: -53.285 bonds (distance) P-C4' energy: -44.900 flat angles C4'-P-C4' energy: -73.922 flat angles P-C4'-P energy: -41.456 tors. eta vs tors. theta energy: -68.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -908.952226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.952226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.952226 (E_RNA) where: Base-Base interactions energy: -595.429 where: short stacking energy: -258.541 Base-Backbone interact. energy: -0.752 local terms energy: -312.771477 where: bonds (distance) C4'-P energy: -68.944 bonds (distance) P-C4' energy: -62.471 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -73.822 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: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -706.312531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.312531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.312531 (E_RNA) where: Base-Base interactions energy: -454.486 where: short stacking energy: -210.535 Base-Backbone interact. energy: -3.190 local terms energy: -248.636313 where: bonds (distance) C4'-P energy: -52.485 bonds (distance) P-C4' energy: -58.826 flat angles C4'-P-C4' energy: -55.355 flat angles P-C4'-P energy: -37.906 tors. eta vs tors. theta energy: -44.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -497.321724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.321724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.321724 (E_RNA) where: Base-Base interactions energy: -266.006 where: short stacking energy: -147.985 Base-Backbone interact. energy: -1.197 local terms energy: -230.118967 where: bonds (distance) C4'-P energy: -58.036 bonds (distance) P-C4' energy: -61.415 flat angles C4'-P-C4' energy: -61.212 flat angles P-C4'-P energy: -30.928 tors. eta vs tors. theta energy: -18.528 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: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -501.578795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.578795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.578795 (E_RNA) where: Base-Base interactions energy: -287.338 where: short stacking energy: -143.818 Base-Backbone interact. energy: -1.569 local terms energy: -212.671630 where: bonds (distance) C4'-P energy: -58.953 bonds (distance) P-C4' energy: -56.176 flat angles C4'-P-C4' energy: -42.072 flat angles P-C4'-P energy: -31.878 tors. eta vs tors. theta energy: -23.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -302.429778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.429778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.429778 (E_RNA) where: Base-Base interactions energy: -98.962 where: short stacking energy: -76.115 Base-Backbone interact. energy: 0.445 local terms energy: -203.913239 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -51.953 flat angles P-C4'-P energy: -36.789 tors. eta vs tors. theta energy: 4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1100.660601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.660601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.660601 (E_RNA) where: Base-Base interactions energy: -758.518 where: short stacking energy: -337.823 Base-Backbone interact. energy: 2.209 local terms energy: -344.351695 where: bonds (distance) C4'-P energy: -62.101 bonds (distance) P-C4' energy: -62.907 flat angles C4'-P-C4' energy: -73.963 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -91.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1081.981056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.981056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.981056 (E_RNA) where: Base-Base interactions energy: -745.258 where: short stacking energy: -314.014 Base-Backbone interact. energy: 0.626 local terms energy: -337.348835 where: bonds (distance) C4'-P energy: -62.936 bonds (distance) P-C4' energy: -70.518 flat angles C4'-P-C4' energy: -62.602 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -91.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1018.675665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.675665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.675665 (E_RNA) where: Base-Base interactions energy: -675.983 where: short stacking energy: -305.658 Base-Backbone interact. energy: 0.266 local terms energy: -342.957894 where: bonds (distance) C4'-P energy: -65.880 bonds (distance) P-C4' energy: -65.773 flat angles C4'-P-C4' energy: -73.933 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -87.628 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: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -999.906047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.906047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.906047 (E_RNA) where: Base-Base interactions energy: -684.017 where: short stacking energy: -293.037 Base-Backbone interact. energy: 2.868 local terms energy: -318.756908 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -66.741 flat angles C4'-P-C4' energy: -67.782 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -85.794 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: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -906.464995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.464995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.464995 (E_RNA) where: Base-Base interactions energy: -606.147 where: short stacking energy: -261.653 Base-Backbone interact. energy: 0.209 local terms energy: -300.527340 where: bonds (distance) C4'-P energy: -50.645 bonds (distance) P-C4' energy: -59.194 flat angles C4'-P-C4' energy: -70.096 flat angles P-C4'-P energy: -47.093 tors. eta vs tors. theta energy: -73.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -847.284948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.284948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.284948 (E_RNA) where: Base-Base interactions energy: -551.141 where: short stacking energy: -246.735 Base-Backbone interact. energy: -0.044 local terms energy: -296.099835 where: bonds (distance) C4'-P energy: -58.596 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -68.108 flat angles P-C4'-P energy: -47.193 tors. eta vs tors. theta energy: -60.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -732.606255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.606255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.606255 (E_RNA) where: Base-Base interactions energy: -476.586 where: short stacking energy: -201.105 Base-Backbone interact. energy: 0.166 local terms energy: -256.186698 where: bonds (distance) C4'-P energy: -53.542 bonds (distance) P-C4' energy: -53.308 flat angles C4'-P-C4' energy: -61.232 flat angles P-C4'-P energy: -41.627 tors. eta vs tors. theta energy: -46.478 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: 288 Temperature: 1.250000 Total energy: -496.447496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.447496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.447496 (E_RNA) where: Base-Base interactions energy: -271.408 where: short stacking energy: -142.062 Base-Backbone interact. energy: 0.871 local terms energy: -225.910312 where: bonds (distance) C4'-P energy: -41.797 bonds (distance) P-C4' energy: -67.327 flat angles C4'-P-C4' energy: -59.806 flat angles P-C4'-P energy: -35.626 tors. eta vs tors. theta energy: -21.354 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: 288 Temperature: 1.300000 Total energy: -495.396011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.396011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.396011 (E_RNA) where: Base-Base interactions energy: -285.148 where: short stacking energy: -148.338 Base-Backbone interact. energy: -1.143 local terms energy: -209.104627 where: bonds (distance) C4'-P energy: -50.701 bonds (distance) P-C4' energy: -51.630 flat angles C4'-P-C4' energy: -51.847 flat angles P-C4'-P energy: -29.548 tors. eta vs tors. theta energy: -25.379 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: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -280.608241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.608241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.608241 (E_RNA) where: Base-Base interactions energy: -118.403 where: short stacking energy: -87.307 Base-Backbone interact. energy: 0.663 local terms energy: -162.868296 where: bonds (distance) C4'-P energy: -47.012 bonds (distance) P-C4' energy: -52.798 flat angles C4'-P-C4' energy: -44.511 flat angles P-C4'-P energy: -20.909 tors. eta vs tors. theta energy: 2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1087.718293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.718293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.718293 (E_RNA) where: Base-Base interactions energy: -742.734 where: short stacking energy: -321.617 Base-Backbone interact. energy: -0.964 local terms energy: -344.020422 where: bonds (distance) C4'-P energy: -65.790 bonds (distance) P-C4' energy: -66.667 flat angles C4'-P-C4' energy: -67.306 flat angles P-C4'-P energy: -49.323 tors. eta vs tors. theta energy: -94.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1091.182714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.182714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.182714 (E_RNA) where: Base-Base interactions energy: -751.888 where: short stacking energy: -320.724 Base-Backbone interact. energy: -2.633 local terms energy: -336.661990 where: bonds (distance) C4'-P energy: -70.633 bonds (distance) P-C4' energy: -61.020 flat angles C4'-P-C4' energy: -65.927 flat angles P-C4'-P energy: -47.827 tors. eta vs tors. theta energy: -91.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1005.285779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.285779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.285779 (E_RNA) where: Base-Base interactions energy: -693.114 where: short stacking energy: -306.554 Base-Backbone interact. energy: -0.646 local terms energy: -311.525398 where: bonds (distance) C4'-P energy: -63.462 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -70.614 flat angles P-C4'-P energy: -36.855 tors. eta vs tors. theta energy: -82.074 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: 289 Temperature: 1.050000 Total energy: -988.794450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.794450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.794450 (E_RNA) where: Base-Base interactions energy: -674.781 where: short stacking energy: -284.729 Base-Backbone interact. energy: -0.787 local terms energy: -313.226815 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -57.035 flat angles C4'-P-C4' energy: -68.790 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: -79.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -934.693240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.693240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.693240 (E_RNA) where: Base-Base interactions energy: -632.001 where: short stacking energy: -269.675 Base-Backbone interact. energy: -0.512 local terms energy: -302.180705 where: bonds (distance) C4'-P energy: -58.082 bonds (distance) P-C4' energy: -56.727 flat angles C4'-P-C4' energy: -57.858 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: -83.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -869.364456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.364456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.364456 (E_RNA) where: Base-Base interactions energy: -553.522 where: short stacking energy: -276.764 Base-Backbone interact. energy: -3.346 local terms energy: -312.495747 where: bonds (distance) C4'-P energy: -60.656 bonds (distance) P-C4' energy: -55.874 flat angles C4'-P-C4' energy: -62.748 flat angles P-C4'-P energy: -46.910 tors. eta vs tors. theta energy: -86.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -694.424293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.424293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.424293 (E_RNA) where: Base-Base interactions energy: -439.519 where: short stacking energy: -186.365 Base-Backbone interact. energy: 2.631 local terms energy: -257.535416 where: bonds (distance) C4'-P energy: -55.639 bonds (distance) P-C4' energy: -65.703 flat angles C4'-P-C4' energy: -56.394 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -43.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -565.803536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.803536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.803536 (E_RNA) where: Base-Base interactions energy: -330.176 where: short stacking energy: -163.532 Base-Backbone interact. energy: -1.836 local terms energy: -233.792305 where: bonds (distance) C4'-P energy: -50.942 bonds (distance) P-C4' energy: -55.672 flat angles C4'-P-C4' energy: -57.761 flat angles P-C4'-P energy: -32.955 tors. eta vs tors. theta energy: -36.462 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -567.323083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.323083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.323083 (E_RNA) where: Base-Base interactions energy: -348.590 where: short stacking energy: -154.278 Base-Backbone interact. energy: 0.762 local terms energy: -219.495006 where: bonds (distance) C4'-P energy: -53.616 bonds (distance) P-C4' energy: -62.997 flat angles C4'-P-C4' energy: -57.220 flat angles P-C4'-P energy: -20.905 tors. eta vs tors. theta energy: -24.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -275.458380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.458380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.458380 (E_RNA) where: Base-Base interactions energy: -105.686 where: short stacking energy: -80.928 Base-Backbone interact. energy: -1.456 local terms energy: -168.316944 where: bonds (distance) C4'-P energy: -40.905 bonds (distance) P-C4' energy: -58.293 flat angles C4'-P-C4' energy: -42.611 flat angles P-C4'-P energy: -30.637 tors. eta vs tors. theta energy: 4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1106.845068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.845068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.845068 (E_RNA) where: Base-Base interactions energy: -767.803 where: short stacking energy: -308.184 Base-Backbone interact. energy: -3.009 local terms energy: -336.033495 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -61.537 flat angles C4'-P-C4' energy: -70.947 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -90.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1083.968168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.968168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.968168 (E_RNA) where: Base-Base interactions energy: -732.059 where: short stacking energy: -312.811 Base-Backbone interact. energy: -0.784 local terms energy: -351.125590 where: bonds (distance) C4'-P energy: -55.900 bonds (distance) P-C4' energy: -65.452 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -57.357 tors. eta vs tors. theta energy: -93.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1007.386359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.386359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.386359 (E_RNA) where: Base-Base interactions energy: -680.048 where: short stacking energy: -290.880 Base-Backbone interact. energy: -0.010 local terms energy: -327.328516 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -59.984 flat angles C4'-P-C4' energy: -78.108 flat angles P-C4'-P energy: -46.826 tors. eta vs tors. theta energy: -79.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -982.163297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.163297 (E_RNA) where: Base-Base interactions energy: -679.047 where: short stacking energy: -308.995 Base-Backbone interact. energy: -1.537 local terms energy: -301.578954 where: bonds (distance) C4'-P energy: -54.830 bonds (distance) P-C4' energy: -70.654 flat angles C4'-P-C4' energy: -53.692 flat angles P-C4'-P energy: -42.166 tors. eta vs tors. theta energy: -80.237 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -934.688003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.688003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.688003 (E_RNA) where: Base-Base interactions energy: -629.870 where: short stacking energy: -272.721 Base-Backbone interact. energy: -1.434 local terms energy: -303.384538 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -57.701 flat angles C4'-P-C4' energy: -62.578 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -77.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -850.839774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.839774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.839774 (E_RNA) where: Base-Base interactions energy: -562.908 where: short stacking energy: -264.261 Base-Backbone interact. energy: -1.184 local terms energy: -286.747932 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -48.891 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: -76.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -709.299029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.299029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.299029 (E_RNA) where: Base-Base interactions energy: -452.696 where: short stacking energy: -198.745 Base-Backbone interact. energy: -0.633 local terms energy: -255.970473 where: bonds (distance) C4'-P energy: -50.854 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -56.711 flat angles P-C4'-P energy: -46.782 tors. eta vs tors. theta energy: -48.321 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: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -553.408599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.408599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.408599 (E_RNA) where: Base-Base interactions energy: -328.478 where: short stacking energy: -138.147 Base-Backbone interact. energy: -4.205 local terms energy: -220.725257 where: bonds (distance) C4'-P energy: -53.157 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -50.506 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -18.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -568.036536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.036536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.036536 (E_RNA) where: Base-Base interactions energy: -341.438 where: short stacking energy: -151.400 Base-Backbone interact. energy: -2.100 local terms energy: -224.498327 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -48.207 flat angles C4'-P-C4' energy: -50.739 flat angles P-C4'-P energy: -33.057 tors. eta vs tors. theta energy: -30.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -298.725410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.725410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.725410 (E_RNA) where: Base-Base interactions energy: -89.862 where: short stacking energy: -84.897 Base-Backbone interact. energy: -2.150 local terms energy: -206.713769 where: bonds (distance) C4'-P energy: -49.153 bonds (distance) P-C4' energy: -58.547 flat angles C4'-P-C4' energy: -58.142 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -5.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1099.931895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.931895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.931895 (E_RNA) where: Base-Base interactions energy: -760.307 where: short stacking energy: -307.376 Base-Backbone interact. energy: -1.648 local terms energy: -337.976244 where: bonds (distance) C4'-P energy: -63.588 bonds (distance) P-C4' energy: -62.368 flat angles C4'-P-C4' energy: -64.509 flat angles P-C4'-P energy: -60.001 tors. eta vs tors. theta energy: -87.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1033.966933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.966933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.966933 (E_RNA) where: Base-Base interactions energy: -703.758 where: short stacking energy: -306.673 Base-Backbone interact. energy: -0.392 local terms energy: -329.816112 where: bonds (distance) C4'-P energy: -67.652 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -77.004 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: 291 Temperature: 1.000000 Total energy: -1043.847598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.847598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.847598 (E_RNA) where: Base-Base interactions energy: -733.161 where: short stacking energy: -306.209 Base-Backbone interact. energy: -1.569 local terms energy: -309.118063 where: bonds (distance) C4'-P energy: -53.127 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -60.881 flat angles P-C4'-P energy: -31.620 tors. eta vs tors. theta energy: -95.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -971.795194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.795194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.795194 (E_RNA) where: Base-Base interactions energy: -651.978 where: short stacking energy: -301.094 Base-Backbone interact. energy: -0.476 local terms energy: -319.341169 where: bonds (distance) C4'-P energy: -46.898 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -68.197 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -91.293 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: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -959.566243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.566243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.566243 (E_RNA) where: Base-Base interactions energy: -656.554 where: short stacking energy: -290.678 Base-Backbone interact. energy: -2.927 local terms energy: -300.085114 where: bonds (distance) C4'-P energy: -52.643 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -46.469 tors. eta vs tors. theta energy: -71.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -847.535234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.535234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.535234 (E_RNA) where: Base-Base interactions energy: -558.558 where: short stacking energy: -249.312 Base-Backbone interact. energy: -0.161 local terms energy: -288.816494 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -50.321 flat angles C4'-P-C4' energy: -67.180 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -66.125 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: 291 Temperature: 1.200000 Total energy: -712.101041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.101041 (E_RNA) where: Base-Base interactions energy: -463.152 where: short stacking energy: -209.978 Base-Backbone interact. energy: -2.606 local terms energy: -246.342533 where: bonds (distance) C4'-P energy: -44.823 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: -54.397 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: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -599.707983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.707983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.707983 (E_RNA) where: Base-Base interactions energy: -374.158 where: short stacking energy: -160.923 Base-Backbone interact. energy: 2.484 local terms energy: -228.033833 where: bonds (distance) C4'-P energy: -58.626 bonds (distance) P-C4' energy: -41.502 flat angles C4'-P-C4' energy: -51.448 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -29.529 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: 291 Temperature: 1.300000 Total energy: -557.398625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.398625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.398625 (E_RNA) where: Base-Base interactions energy: -342.976 where: short stacking energy: -149.352 Base-Backbone interact. energy: 1.803 local terms energy: -216.225711 where: bonds (distance) C4'-P energy: -60.072 bonds (distance) P-C4' energy: -56.770 flat angles C4'-P-C4' energy: -41.485 flat angles P-C4'-P energy: -32.948 tors. eta vs tors. theta energy: -24.950 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: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -268.968154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.968154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.968154 (E_RNA) where: Base-Base interactions energy: -72.508 where: short stacking energy: -59.062 Base-Backbone interact. energy: -0.994 local terms energy: -195.466590 where: bonds (distance) C4'-P energy: -55.107 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -52.041 flat angles P-C4'-P energy: -34.246 tors. eta vs tors. theta energy: 5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1090.976747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.976747 (E_RNA) where: Base-Base interactions energy: -765.328 where: short stacking energy: -312.375 Base-Backbone interact. energy: -1.778 local terms energy: -323.871476 where: bonds (distance) C4'-P energy: -56.736 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -71.151 flat angles P-C4'-P energy: -43.825 tors. eta vs tors. theta energy: -84.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1053.809462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.809462 (E_RNA) where: Base-Base interactions energy: -717.189 where: short stacking energy: -304.873 Base-Backbone interact. energy: -1.485 local terms energy: -335.135589 where: bonds (distance) C4'-P energy: -53.924 bonds (distance) P-C4' energy: -70.530 flat angles C4'-P-C4' energy: -77.300 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -85.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1067.650996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.650996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.650996 (E_RNA) where: Base-Base interactions energy: -734.539 where: short stacking energy: -315.660 Base-Backbone interact. energy: -0.354 local terms energy: -332.757900 where: bonds (distance) C4'-P energy: -61.143 bonds (distance) P-C4' energy: -60.545 flat angles C4'-P-C4' energy: -75.882 flat angles P-C4'-P energy: -43.237 tors. eta vs tors. theta energy: -91.950 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: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -970.959985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.959985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.959985 (E_RNA) where: Base-Base interactions energy: -654.910 where: short stacking energy: -285.518 Base-Backbone interact. energy: -1.311 local terms energy: -314.738410 where: bonds (distance) C4'-P energy: -50.845 bonds (distance) P-C4' energy: -56.311 flat angles C4'-P-C4' energy: -69.654 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -84.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -943.285876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.285876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.285876 (E_RNA) where: Base-Base interactions energy: -655.907 where: short stacking energy: -295.017 Base-Backbone interact. energy: -0.953 local terms energy: -286.425994 where: bonds (distance) C4'-P energy: -50.571 bonds (distance) P-C4' energy: -52.326 flat angles C4'-P-C4' energy: -61.306 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -79.500 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: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -833.138696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.138696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.138696 (E_RNA) where: Base-Base interactions energy: -571.217 where: short stacking energy: -257.520 Base-Backbone interact. energy: -0.239 local terms energy: -261.682298 where: bonds (distance) C4'-P energy: -51.761 bonds (distance) P-C4' energy: -47.490 flat angles C4'-P-C4' energy: -61.783 flat angles P-C4'-P energy: -42.738 tors. eta vs tors. theta energy: -57.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -729.036069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.036069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.036069 (E_RNA) where: Base-Base interactions energy: -475.920 where: short stacking energy: -214.850 Base-Backbone interact. energy: -1.984 local terms energy: -251.131908 where: bonds (distance) C4'-P energy: -50.186 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -42.561 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: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -583.163535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.163535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.163535 (E_RNA) where: Base-Base interactions energy: -364.986 where: short stacking energy: -168.915 Base-Backbone interact. energy: -0.170 local terms energy: -218.006838 where: bonds (distance) C4'-P energy: -49.095 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -52.974 flat angles P-C4'-P energy: -34.521 tors. eta vs tors. theta energy: -20.306 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: 292 Temperature: 1.300000 Total energy: -584.823666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.823666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.823666 (E_RNA) where: Base-Base interactions energy: -354.127 where: short stacking energy: -174.464 Base-Backbone interact. energy: -0.980 local terms energy: -229.716030 where: bonds (distance) C4'-P energy: -58.108 bonds (distance) P-C4' energy: -60.379 flat angles C4'-P-C4' energy: -50.385 flat angles P-C4'-P energy: -22.906 tors. eta vs tors. theta energy: -37.938 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: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -279.449557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.449557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.449557 (E_RNA) where: Base-Base interactions energy: -104.369 where: short stacking energy: -77.145 Base-Backbone interact. energy: -0.054 local terms energy: -175.026727 where: bonds (distance) C4'-P energy: -58.880 bonds (distance) P-C4' energy: -50.296 flat angles C4'-P-C4' energy: -52.669 flat angles P-C4'-P energy: -25.037 tors. eta vs tors. theta energy: 11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1093.804665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.804665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.804665 (E_RNA) where: Base-Base interactions energy: -765.508 where: short stacking energy: -314.722 Base-Backbone interact. energy: -1.713 local terms energy: -326.583612 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -68.731 flat angles P-C4'-P energy: -52.110 tors. eta vs tors. theta energy: -83.954 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: 9 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1091.065762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.065762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.065762 (E_RNA) where: Base-Base interactions energy: -743.842 where: short stacking energy: -314.224 Base-Backbone interact. energy: -2.776 local terms energy: -344.447960 where: bonds (distance) C4'-P energy: -59.357 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -70.871 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -101.509 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: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -997.597986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.597986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.597986 (E_RNA) where: Base-Base interactions energy: -670.771 where: short stacking energy: -295.456 Base-Backbone interact. energy: -0.200 local terms energy: -326.627663 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -61.637 flat angles C4'-P-C4' energy: -69.960 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: -91.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -973.454193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.454193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.454193 (E_RNA) where: Base-Base interactions energy: -637.349 where: short stacking energy: -285.438 Base-Backbone interact. energy: -1.554 local terms energy: -334.551653 where: bonds (distance) C4'-P energy: -63.954 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -88.948 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: 293 Temperature: 1.100000 Total energy: -966.168459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.168459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.168459 (E_RNA) where: Base-Base interactions energy: -666.623 where: short stacking energy: -296.860 Base-Backbone interact. energy: -0.125 local terms energy: -299.420098 where: bonds (distance) C4'-P energy: -57.370 bonds (distance) P-C4' energy: -53.608 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: -85.001 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: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -832.619331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.619331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.619331 (E_RNA) where: Base-Base interactions energy: -532.073 where: short stacking energy: -254.514 Base-Backbone interact. energy: -2.065 local terms energy: -298.481462 where: bonds (distance) C4'-P energy: -67.312 bonds (distance) P-C4' energy: -57.606 flat angles C4'-P-C4' energy: -67.870 flat angles P-C4'-P energy: -39.193 tors. eta vs tors. theta energy: -66.501 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: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -783.453013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.453013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.453013 (E_RNA) where: Base-Base interactions energy: -508.693 where: short stacking energy: -225.183 Base-Backbone interact. energy: 2.166 local terms energy: -276.926111 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -67.870 flat angles C4'-P-C4' energy: -58.197 flat angles P-C4'-P energy: -35.884 tors. eta vs tors. theta energy: -56.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -613.304290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.304290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.304290 (E_RNA) where: Base-Base interactions energy: -382.380 where: short stacking energy: -189.772 Base-Backbone interact. energy: -2.665 local terms energy: -228.259773 where: bonds (distance) C4'-P energy: -43.002 bonds (distance) P-C4' energy: -57.915 flat angles C4'-P-C4' energy: -67.896 flat angles P-C4'-P energy: -34.255 tors. eta vs tors. theta energy: -25.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -528.020562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.020562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.020562 (E_RNA) where: Base-Base interactions energy: -322.640 where: short stacking energy: -173.814 Base-Backbone interact. energy: 1.059 local terms energy: -206.439935 where: bonds (distance) C4'-P energy: -38.468 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -59.940 flat angles P-C4'-P energy: -26.785 tors. eta vs tors. theta energy: -19.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -277.319829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.319829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.319829 (E_RNA) where: Base-Base interactions energy: -100.294 where: short stacking energy: -55.441 Base-Backbone interact. energy: 1.781 local terms energy: -178.806902 where: bonds (distance) C4'-P energy: -47.845 bonds (distance) P-C4' energy: -62.935 flat angles C4'-P-C4' energy: -50.413 flat angles P-C4'-P energy: -28.235 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: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1117.623089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.623089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.623089 (E_RNA) where: Base-Base interactions energy: -789.220 where: short stacking energy: -316.049 Base-Backbone interact. energy: 0.134 local terms energy: -328.536798 where: bonds (distance) C4'-P energy: -72.448 bonds (distance) P-C4' energy: -62.432 flat angles C4'-P-C4' energy: -67.967 flat angles P-C4'-P energy: -39.509 tors. eta vs tors. theta energy: -86.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1080.966720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.966720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.966720 (E_RNA) where: Base-Base interactions energy: -734.022 where: short stacking energy: -319.499 Base-Backbone interact. energy: -1.053 local terms energy: -345.891952 where: bonds (distance) C4'-P energy: -65.712 bonds (distance) P-C4' energy: -59.093 flat angles C4'-P-C4' energy: -71.891 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -99.488 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: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1011.561690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.561690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.561690 (E_RNA) where: Base-Base interactions energy: -689.284 where: short stacking energy: -297.206 Base-Backbone interact. energy: 1.222 local terms energy: -323.499108 where: bonds (distance) C4'-P energy: -62.680 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -70.541 flat angles P-C4'-P energy: -41.213 tors. eta vs tors. theta energy: -83.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -943.977647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.977647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.977647 (E_RNA) where: Base-Base interactions energy: -649.154 where: short stacking energy: -260.802 Base-Backbone interact. energy: 0.756 local terms energy: -295.579835 where: bonds (distance) C4'-P energy: -51.743 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -64.063 flat angles P-C4'-P energy: -45.888 tors. eta vs tors. theta energy: -65.562 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: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -936.563965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.563965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.563965 (E_RNA) where: Base-Base interactions energy: -626.429 where: short stacking energy: -274.684 Base-Backbone interact. energy: -1.090 local terms energy: -309.044558 where: bonds (distance) C4'-P energy: -65.132 bonds (distance) P-C4' energy: -55.440 flat angles C4'-P-C4' energy: -59.831 flat angles P-C4'-P energy: -37.988 tors. eta vs tors. theta energy: -90.654 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: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -828.967717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.967717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.967717 (E_RNA) where: Base-Base interactions energy: -533.125 where: short stacking energy: -247.879 Base-Backbone interact. energy: -2.547 local terms energy: -293.295475 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -59.902 flat angles C4'-P-C4' energy: -67.120 flat angles P-C4'-P energy: -37.613 tors. eta vs tors. theta energy: -67.311 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: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -754.274505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.274505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.274505 (E_RNA) where: Base-Base interactions energy: -504.895 where: short stacking energy: -228.792 Base-Backbone interact. energy: -0.355 local terms energy: -249.024294 where: bonds (distance) C4'-P energy: -49.057 bonds (distance) P-C4' energy: -66.743 flat angles C4'-P-C4' energy: -56.328 flat angles P-C4'-P energy: -28.578 tors. eta vs tors. theta energy: -48.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -578.492035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.492035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.492035 (E_RNA) where: Base-Base interactions energy: -332.740 where: short stacking energy: -150.677 Base-Backbone interact. energy: -0.962 local terms energy: -244.790086 where: bonds (distance) C4'-P energy: -44.452 bonds (distance) P-C4' energy: -75.412 flat angles C4'-P-C4' energy: -73.193 flat angles P-C4'-P energy: -26.646 tors. eta vs tors. theta energy: -25.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -506.631193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.631193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.631193 (E_RNA) where: Base-Base interactions energy: -285.611 where: short stacking energy: -141.675 Base-Backbone interact. energy: -0.075 local terms energy: -220.945222 where: bonds (distance) C4'-P energy: -49.911 bonds (distance) P-C4' energy: -60.046 flat angles C4'-P-C4' energy: -46.385 flat angles P-C4'-P energy: -41.291 tors. eta vs tors. theta energy: -23.313 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: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -279.585227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.585227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.585227 (E_RNA) where: Base-Base interactions energy: -112.391 where: short stacking energy: -88.489 Base-Backbone interact. energy: -2.306 local terms energy: -164.887947 where: bonds (distance) C4'-P energy: -45.526 bonds (distance) P-C4' energy: -45.476 flat angles C4'-P-C4' energy: -44.307 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: 7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1117.579015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.579015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.579015 (E_RNA) where: Base-Base interactions energy: -793.239 where: short stacking energy: -306.136 Base-Backbone interact. energy: -3.634 local terms energy: -320.706733 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -58.665 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -44.251 tors. eta vs tors. theta energy: -89.366 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: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1102.533679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.533679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.533679 (E_RNA) where: Base-Base interactions energy: -746.020 where: short stacking energy: -316.332 Base-Backbone interact. energy: -1.935 local terms energy: -354.579041 where: bonds (distance) C4'-P energy: -63.261 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -101.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1023.708183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.708183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.708183 (E_RNA) where: Base-Base interactions energy: -706.081 where: short stacking energy: -304.672 Base-Backbone interact. energy: -1.940 local terms energy: -315.687141 where: bonds (distance) C4'-P energy: -54.212 bonds (distance) P-C4' energy: -64.807 flat angles C4'-P-C4' energy: -66.464 flat angles P-C4'-P energy: -45.108 tors. eta vs tors. theta energy: -85.095 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: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -967.654366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.654366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.654366 (E_RNA) where: Base-Base interactions energy: -679.067 where: short stacking energy: -292.339 Base-Backbone interact. energy: -2.433 local terms energy: -286.154208 where: bonds (distance) C4'-P energy: -51.610 bonds (distance) P-C4' energy: -41.788 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: -83.197 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: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -940.092402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.092402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.092402 (E_RNA) where: Base-Base interactions energy: -645.165 where: short stacking energy: -275.021 Base-Backbone interact. energy: -0.609 local terms energy: -294.318896 where: bonds (distance) C4'-P energy: -59.925 bonds (distance) P-C4' energy: -47.101 flat angles C4'-P-C4' energy: -61.143 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -77.325 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: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -830.972360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.972360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.972360 (E_RNA) where: Base-Base interactions energy: -546.254 where: short stacking energy: -248.845 Base-Backbone interact. energy: -2.333 local terms energy: -282.385603 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -50.103 flat angles C4'-P-C4' energy: -60.664 flat angles P-C4'-P energy: -50.241 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: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -797.959846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.959846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.959846 (E_RNA) where: Base-Base interactions energy: -515.274 where: short stacking energy: -242.454 Base-Backbone interact. energy: -0.440 local terms energy: -282.244930 where: bonds (distance) C4'-P energy: -58.464 bonds (distance) P-C4' energy: -64.686 flat angles C4'-P-C4' energy: -62.228 flat angles P-C4'-P energy: -31.963 tors. eta vs tors. theta energy: -64.904 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: 295 Temperature: 1.250000 Total energy: -580.315501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.315501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.315501 (E_RNA) where: Base-Base interactions energy: -346.598 where: short stacking energy: -163.990 Base-Backbone interact. energy: -1.134 local terms energy: -232.583718 where: bonds (distance) C4'-P energy: -50.154 bonds (distance) P-C4' energy: -59.873 flat angles C4'-P-C4' energy: -54.357 flat angles P-C4'-P energy: -36.896 tors. eta vs tors. theta energy: -31.304 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: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -497.795717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.795717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.795717 (E_RNA) where: Base-Base interactions energy: -277.802 where: short stacking energy: -140.243 Base-Backbone interact. energy: 1.114 local terms energy: -221.107180 where: bonds (distance) C4'-P energy: -55.106 bonds (distance) P-C4' energy: -56.138 flat angles C4'-P-C4' energy: -54.595 flat angles P-C4'-P energy: -37.066 tors. eta vs tors. theta energy: -18.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -277.324427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.324427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.324427 (E_RNA) where: Base-Base interactions energy: -105.130 where: short stacking energy: -89.618 Base-Backbone interact. energy: 2.068 local terms energy: -174.261838 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -38.813 flat angles C4'-P-C4' energy: -52.995 flat angles P-C4'-P energy: -28.160 tors. eta vs tors. theta energy: 6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1147.515089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.515089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.515089 (E_RNA) where: Base-Base interactions energy: -779.218 where: short stacking energy: -348.388 Base-Backbone interact. energy: -0.325 local terms energy: -367.972033 where: bonds (distance) C4'-P energy: -60.439 bonds (distance) P-C4' energy: -70.510 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -104.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1089.134164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.134164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.134164 (E_RNA) where: Base-Base interactions energy: -759.131 where: short stacking energy: -297.548 Base-Backbone interact. energy: 0.872 local terms energy: -330.875445 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -61.529 flat angles C4'-P-C4' energy: -70.479 flat angles P-C4'-P energy: -52.447 tors. eta vs tors. theta energy: -86.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1047.520667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.520667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.520667 (E_RNA) where: Base-Base interactions energy: -734.045 where: short stacking energy: -313.908 Base-Backbone interact. energy: -0.263 local terms energy: -313.212972 where: bonds (distance) C4'-P energy: -57.577 bonds (distance) P-C4' energy: -58.994 flat angles C4'-P-C4' energy: -66.140 flat angles P-C4'-P energy: -47.914 tors. eta vs tors. theta energy: -82.588 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: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -945.470989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.470989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.470989 (E_RNA) where: Base-Base interactions energy: -627.136 where: short stacking energy: -268.696 Base-Backbone interact. energy: -0.812 local terms energy: -317.522290 where: bonds (distance) C4'-P energy: -57.402 bonds (distance) P-C4' energy: -60.310 flat angles C4'-P-C4' energy: -69.354 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -78.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -933.504496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.504496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.504496 (E_RNA) where: Base-Base interactions energy: -629.792 where: short stacking energy: -273.967 Base-Backbone interact. energy: -2.184 local terms energy: -301.527965 where: bonds (distance) C4'-P energy: -61.507 bonds (distance) P-C4' energy: -65.031 flat angles C4'-P-C4' energy: -56.704 flat angles P-C4'-P energy: -37.742 tors. eta vs tors. theta energy: -80.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -846.692433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.692433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.692433 (E_RNA) where: Base-Base interactions energy: -567.722 where: short stacking energy: -247.091 Base-Backbone interact. energy: -0.917 local terms energy: -278.053723 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -67.340 flat angles P-C4'-P energy: -25.677 tors. eta vs tors. theta energy: -73.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -791.017381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.017381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.017381 (E_RNA) where: Base-Base interactions energy: -527.234 where: short stacking energy: -249.448 Base-Backbone interact. energy: 1.076 local terms energy: -264.858668 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -52.966 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -33.188 tors. eta vs tors. theta energy: -58.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -585.392647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.392647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.392647 (E_RNA) where: Base-Base interactions energy: -361.373 where: short stacking energy: -166.633 Base-Backbone interact. energy: -1.669 local terms energy: -222.350411 where: bonds (distance) C4'-P energy: -39.475 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -48.885 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: -36.167 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: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -484.301708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.301708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.301708 (E_RNA) where: Base-Base interactions energy: -294.194 where: short stacking energy: -149.384 Base-Backbone interact. energy: -0.792 local terms energy: -189.316224 where: bonds (distance) C4'-P energy: -42.553 bonds (distance) P-C4' energy: -46.185 flat angles C4'-P-C4' energy: -50.560 flat angles P-C4'-P energy: -19.358 tors. eta vs tors. theta energy: -30.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -270.118391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.118391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.118391 (E_RNA) where: Base-Base interactions energy: -97.317 where: short stacking energy: -85.383 Base-Backbone interact. energy: -0.009 local terms energy: -172.792441 where: bonds (distance) C4'-P energy: -56.695 bonds (distance) P-C4' energy: -49.555 flat angles C4'-P-C4' energy: -45.942 flat angles P-C4'-P energy: -24.872 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: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1146.098160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.098160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.098160 (E_RNA) where: Base-Base interactions energy: -798.702 where: short stacking energy: -347.562 Base-Backbone interact. energy: 0.275 local terms energy: -347.670984 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -65.601 flat angles C4'-P-C4' energy: -69.389 flat angles P-C4'-P energy: -48.855 tors. eta vs tors. theta energy: -104.612 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: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1056.497087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.497087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.497087 (E_RNA) where: Base-Base interactions energy: -719.758 where: short stacking energy: -303.875 Base-Backbone interact. energy: -0.416 local terms energy: -336.322248 where: bonds (distance) C4'-P energy: -59.967 bonds (distance) P-C4' energy: -74.931 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -53.779 tors. eta vs tors. theta energy: -77.335 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: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1073.795530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.795530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.795530 (E_RNA) where: Base-Base interactions energy: -752.335 where: short stacking energy: -317.847 Base-Backbone interact. energy: -1.118 local terms energy: -320.342465 where: bonds (distance) C4'-P energy: -65.433 bonds (distance) P-C4' energy: -56.125 flat angles C4'-P-C4' energy: -61.837 flat angles P-C4'-P energy: -44.062 tors. eta vs tors. theta energy: -92.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -955.961418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.961418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.961418 (E_RNA) where: Base-Base interactions energy: -642.755 where: short stacking energy: -293.657 Base-Backbone interact. energy: -0.257 local terms energy: -312.949372 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -59.687 flat angles C4'-P-C4' energy: -60.175 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -934.402539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.402539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.402539 (E_RNA) where: Base-Base interactions energy: -629.834 where: short stacking energy: -292.928 Base-Backbone interact. energy: -1.756 local terms energy: -302.812845 where: bonds (distance) C4'-P energy: -60.168 bonds (distance) P-C4' energy: -54.137 flat angles C4'-P-C4' energy: -61.597 flat angles P-C4'-P energy: -41.757 tors. eta vs tors. theta energy: -85.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -856.154515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.154515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.154515 (E_RNA) where: Base-Base interactions energy: -580.541 where: short stacking energy: -237.745 Base-Backbone interact. energy: -0.583 local terms energy: -275.030549 where: bonds (distance) C4'-P energy: -62.352 bonds (distance) P-C4' energy: -52.175 flat angles C4'-P-C4' energy: -54.068 flat angles P-C4'-P energy: -38.530 tors. eta vs tors. theta energy: -67.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -790.129038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.129038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.129038 (E_RNA) where: Base-Base interactions energy: -513.170 where: short stacking energy: -228.554 Base-Backbone interact. energy: -1.011 local terms energy: -275.947772 where: bonds (distance) C4'-P energy: -55.030 bonds (distance) P-C4' energy: -53.362 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -36.478 tors. eta vs tors. theta energy: -65.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -597.989840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.989840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.989840 (E_RNA) where: Base-Base interactions energy: -381.378 where: short stacking energy: -178.087 Base-Backbone interact. energy: 0.965 local terms energy: -217.576963 where: bonds (distance) C4'-P energy: -47.191 bonds (distance) P-C4' energy: -61.168 flat angles C4'-P-C4' energy: -48.449 flat angles P-C4'-P energy: -34.421 tors. eta vs tors. theta energy: -26.348 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: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -492.739280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.739280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.739280 (E_RNA) where: Base-Base interactions energy: -276.540 where: short stacking energy: -133.869 Base-Backbone interact. energy: -2.134 local terms energy: -214.065527 where: bonds (distance) C4'-P energy: -51.908 bonds (distance) P-C4' energy: -62.090 flat angles C4'-P-C4' energy: -58.920 flat angles P-C4'-P energy: -29.918 tors. eta vs tors. theta energy: -11.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -258.437701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.437701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.437701 (E_RNA) where: Base-Base interactions energy: -85.798 where: short stacking energy: -71.228 Base-Backbone interact. energy: 0.529 local terms energy: -173.168502 where: bonds (distance) C4'-P energy: -67.414 bonds (distance) P-C4' energy: -45.192 flat angles C4'-P-C4' energy: -35.334 flat angles P-C4'-P energy: -31.147 tors. eta vs tors. theta energy: 5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1130.119706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.119706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.119706 (E_RNA) where: Base-Base interactions energy: -781.324 where: short stacking energy: -330.092 Base-Backbone interact. energy: 1.040 local terms energy: -349.835827 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -69.299 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -44.590 tors. eta vs tors. theta energy: -99.593 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: 298 Temperature: 0.950000 Total energy: -1080.844707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.844707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.844707 (E_RNA) where: Base-Base interactions energy: -736.310 where: short stacking energy: -318.315 Base-Backbone interact. energy: -0.737 local terms energy: -343.798092 where: bonds (distance) C4'-P energy: -69.737 bonds (distance) P-C4' energy: -56.784 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -52.234 tors. eta vs tors. theta energy: -90.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1079.352508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.352508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.352508 (E_RNA) where: Base-Base interactions energy: -752.928 where: short stacking energy: -307.178 Base-Backbone interact. energy: 0.171 local terms energy: -326.595449 where: bonds (distance) C4'-P energy: -57.097 bonds (distance) P-C4' energy: -60.026 flat angles C4'-P-C4' energy: -69.517 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -87.137 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: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -985.266847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.266847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.266847 (E_RNA) where: Base-Base interactions energy: -668.968 where: short stacking energy: -294.621 Base-Backbone interact. energy: -0.864 local terms energy: -315.434244 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -63.165 flat angles C4'-P-C4' energy: -63.385 flat angles P-C4'-P energy: -48.077 tors. eta vs tors. theta energy: -78.544 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: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -952.132498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.132498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.132498 (E_RNA) where: Base-Base interactions energy: -634.892 where: short stacking energy: -281.872 Base-Backbone interact. energy: -1.423 local terms energy: -315.818331 where: bonds (distance) C4'-P energy: -66.587 bonds (distance) P-C4' energy: -55.770 flat angles C4'-P-C4' energy: -60.070 flat angles P-C4'-P energy: -44.659 tors. eta vs tors. theta energy: -88.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -805.068249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.068249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.068249 (E_RNA) where: Base-Base interactions energy: -536.408 where: short stacking energy: -224.961 Base-Backbone interact. energy: 5.194 local terms energy: -273.854791 where: bonds (distance) C4'-P energy: -51.456 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -67.272 flat angles P-C4'-P energy: -38.311 tors. eta vs tors. theta energy: -60.077 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: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -759.636297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.636297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.636297 (E_RNA) where: Base-Base interactions energy: -491.184 where: short stacking energy: -223.826 Base-Backbone interact. energy: -1.279 local terms energy: -267.172945 where: bonds (distance) C4'-P energy: -59.963 bonds (distance) P-C4' energy: -58.893 flat angles C4'-P-C4' energy: -55.269 flat angles P-C4'-P energy: -33.633 tors. eta vs tors. theta energy: -59.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -617.564978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.564978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.564978 (E_RNA) where: Base-Base interactions energy: -378.491 where: short stacking energy: -178.976 Base-Backbone interact. energy: -1.003 local terms energy: -238.071061 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -59.459 flat angles C4'-P-C4' energy: -53.497 flat angles P-C4'-P energy: -37.701 tors. eta vs tors. theta energy: -36.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -503.812614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.812614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.812614 (E_RNA) where: Base-Base interactions energy: -308.901 where: short stacking energy: -131.507 Base-Backbone interact. energy: 3.320 local terms energy: -198.231770 where: bonds (distance) C4'-P energy: -52.802 bonds (distance) P-C4' energy: -54.853 flat angles C4'-P-C4' energy: -44.027 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -266.181435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.181435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.181435 (E_RNA) where: Base-Base interactions energy: -93.571 where: short stacking energy: -77.160 Base-Backbone interact. energy: -1.481 local terms energy: -171.129202 where: bonds (distance) C4'-P energy: -46.756 bonds (distance) P-C4' energy: -62.958 flat angles C4'-P-C4' energy: -34.773 flat angles P-C4'-P energy: -27.078 tors. eta vs tors. theta energy: 0.437 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: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1124.550467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.550467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.550467 (E_RNA) where: Base-Base interactions energy: -758.294 where: short stacking energy: -324.955 Base-Backbone interact. energy: -1.085 local terms energy: -365.171979 where: bonds (distance) C4'-P energy: -64.988 bonds (distance) P-C4' energy: -64.468 flat angles C4'-P-C4' energy: -72.959 flat angles P-C4'-P energy: -57.431 tors. eta vs tors. theta energy: -105.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1064.754351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.754351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.754351 (E_RNA) where: Base-Base interactions energy: -731.219 where: short stacking energy: -298.664 Base-Backbone interact. energy: -2.585 local terms energy: -330.950653 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -69.980 flat angles C4'-P-C4' energy: -76.431 flat angles P-C4'-P energy: -44.346 tors. eta vs tors. theta energy: -80.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1013.071600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.071600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.071600 (E_RNA) where: Base-Base interactions energy: -673.768 where: short stacking energy: -287.054 Base-Backbone interact. energy: -1.298 local terms energy: -338.006139 where: bonds (distance) C4'-P energy: -69.527 bonds (distance) P-C4' energy: -62.178 flat angles C4'-P-C4' energy: -71.167 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -79.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -972.451734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.451734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.451734 (E_RNA) where: Base-Base interactions energy: -657.500 where: short stacking energy: -299.081 Base-Backbone interact. energy: -0.470 local terms energy: -314.481555 where: bonds (distance) C4'-P energy: -50.363 bonds (distance) P-C4' energy: -74.206 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -89.998 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: 299 Temperature: 1.100000 Total energy: -913.844079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.844079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.844079 (E_RNA) where: Base-Base interactions energy: -611.677 where: short stacking energy: -272.429 Base-Backbone interact. energy: -0.802 local terms energy: -301.364815 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -49.790 flat angles C4'-P-C4' energy: -63.653 flat angles P-C4'-P energy: -51.076 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: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -768.779894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.779894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.779894 (E_RNA) where: Base-Base interactions energy: -506.588 where: short stacking energy: -235.851 Base-Backbone interact. energy: -1.476 local terms energy: -260.715878 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -60.274 flat angles C4'-P-C4' energy: -53.628 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: -57.346 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: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -737.470453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.470453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.470453 (E_RNA) where: Base-Base interactions energy: -466.553 where: short stacking energy: -228.230 Base-Backbone interact. energy: -1.021 local terms energy: -269.895827 where: bonds (distance) C4'-P energy: -52.309 bonds (distance) P-C4' energy: -54.801 flat angles C4'-P-C4' energy: -68.103 flat angles P-C4'-P energy: -39.538 tors. eta vs tors. theta energy: -55.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -610.849598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.849598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.849598 (E_RNA) where: Base-Base interactions energy: -371.424 where: short stacking energy: -174.831 Base-Backbone interact. energy: -2.685 local terms energy: -236.739667 where: bonds (distance) C4'-P energy: -61.678 bonds (distance) P-C4' energy: -52.546 flat angles C4'-P-C4' energy: -49.155 flat angles P-C4'-P energy: -39.782 tors. eta vs tors. theta energy: -33.578 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: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -497.157718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.157718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.157718 (E_RNA) where: Base-Base interactions energy: -291.524 where: short stacking energy: -134.222 Base-Backbone interact. energy: 2.531 local terms energy: -208.165017 where: bonds (distance) C4'-P energy: -38.082 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -54.560 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: -16.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -277.036432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.036432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.036432 (E_RNA) where: Base-Base interactions energy: -109.793 where: short stacking energy: -84.883 Base-Backbone interact. energy: -2.051 local terms energy: -165.192500 where: bonds (distance) C4'-P energy: -51.954 bonds (distance) P-C4' energy: -59.495 flat angles C4'-P-C4' energy: -38.982 flat angles P-C4'-P energy: -21.403 tors. eta vs tors. theta energy: 6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1120.318895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.318895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.318895 (E_RNA) where: Base-Base interactions energy: -769.647 where: short stacking energy: -314.015 Base-Backbone interact. energy: -0.900 local terms energy: -349.772587 where: bonds (distance) C4'-P energy: -63.794 bonds (distance) P-C4' energy: -77.428 flat angles C4'-P-C4' energy: -68.490 flat angles P-C4'-P energy: -49.505 tors. eta vs tors. theta energy: -90.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1088.677677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.677677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.677677 (E_RNA) where: Base-Base interactions energy: -726.917 where: short stacking energy: -318.025 Base-Backbone interact. energy: -1.210 local terms energy: -360.550977 where: bonds (distance) C4'-P energy: -67.407 bonds (distance) P-C4' energy: -63.335 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -105.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -996.133214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.133214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.133214 (E_RNA) where: Base-Base interactions energy: -662.568 where: short stacking energy: -300.196 Base-Backbone interact. energy: 2.881 local terms energy: -336.445577 where: bonds (distance) C4'-P energy: -58.558 bonds (distance) P-C4' energy: -63.811 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -92.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1019.192006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.192006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.192006 (E_RNA) where: Base-Base interactions energy: -699.959 where: short stacking energy: -273.349 Base-Backbone interact. energy: -0.696 local terms energy: -318.536960 where: bonds (distance) C4'-P energy: -59.321 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -46.681 tors. eta vs tors. theta energy: -79.366 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: 300 Temperature: 1.100000 Total energy: -938.694907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.694907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.694907 (E_RNA) where: Base-Base interactions energy: -620.885 where: short stacking energy: -281.783 Base-Backbone interact. energy: -0.161 local terms energy: -317.648893 where: bonds (distance) C4'-P energy: -49.643 bonds (distance) P-C4' energy: -55.434 flat angles C4'-P-C4' energy: -74.628 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -89.960 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: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -781.258416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.258416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.258416 (E_RNA) where: Base-Base interactions energy: -522.093 where: short stacking energy: -216.160 Base-Backbone interact. energy: -0.457 local terms energy: -258.708842 where: bonds (distance) C4'-P energy: -50.554 bonds (distance) P-C4' energy: -56.524 flat angles C4'-P-C4' energy: -63.312 flat angles P-C4'-P energy: -40.829 tors. eta vs tors. theta energy: -47.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -747.717603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.717603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.717603 (E_RNA) where: Base-Base interactions energy: -482.068 where: short stacking energy: -220.285 Base-Backbone interact. energy: -3.157 local terms energy: -262.493405 where: bonds (distance) C4'-P energy: -53.849 bonds (distance) P-C4' energy: -57.753 flat angles C4'-P-C4' energy: -62.593 flat angles P-C4'-P energy: -33.414 tors. eta vs tors. theta energy: -54.884 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: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -563.657246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.657246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.657246 (E_RNA) where: Base-Base interactions energy: -352.641 where: short stacking energy: -170.772 Base-Backbone interact. energy: 0.550 local terms energy: -211.566137 where: bonds (distance) C4'-P energy: -37.587 bonds (distance) P-C4' energy: -60.079 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -37.272 tors. eta vs tors. theta energy: -27.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -505.300923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.300923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.300923 (E_RNA) where: Base-Base interactions energy: -297.511 where: short stacking energy: -120.160 Base-Backbone interact. energy: 0.761 local terms energy: -208.550579 where: bonds (distance) C4'-P energy: -43.546 bonds (distance) P-C4' energy: -59.483 flat angles C4'-P-C4' energy: -52.614 flat angles P-C4'-P energy: -23.473 tors. eta vs tors. theta energy: -29.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -301.788722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.788722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.788722 (E_RNA) where: Base-Base interactions energy: -125.988 where: short stacking energy: -84.176 Base-Backbone interact. energy: -1.396 local terms energy: -174.404439 where: bonds (distance) C4'-P energy: -43.632 bonds (distance) P-C4' energy: -53.277 flat angles C4'-P-C4' energy: -51.782 flat angles P-C4'-P energy: -29.936 tors. eta vs tors. theta energy: 4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1108.507049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.507049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.507049 (E_RNA) where: Base-Base interactions energy: -771.249 where: short stacking energy: -311.471 Base-Backbone interact. energy: -0.992 local terms energy: -336.265818 where: bonds (distance) C4'-P energy: -63.345 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -74.380 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -86.858 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: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1099.340945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.340945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.340945 (E_RNA) where: Base-Base interactions energy: -753.807 where: short stacking energy: -319.718 Base-Backbone interact. energy: -0.612 local terms energy: -344.921975 where: bonds (distance) C4'-P energy: -66.949 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -63.884 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -96.500 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: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1008.627921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.627921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.627921 (E_RNA) where: Base-Base interactions energy: -674.945 where: short stacking energy: -309.924 Base-Backbone interact. energy: -0.621 local terms energy: -333.061106 where: bonds (distance) C4'-P energy: -52.936 bonds (distance) P-C4' energy: -58.077 flat angles C4'-P-C4' energy: -68.487 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -97.723 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: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1008.334135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.334135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.334135 (E_RNA) where: Base-Base interactions energy: -705.576 where: short stacking energy: -302.419 Base-Backbone interact. energy: 0.433 local terms energy: -303.191122 where: bonds (distance) C4'-P energy: -48.159 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -75.301 flat angles P-C4'-P energy: -40.097 tors. eta vs tors. theta energy: -78.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -932.402907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.402907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.402907 (E_RNA) where: Base-Base interactions energy: -634.377 where: short stacking energy: -275.300 Base-Backbone interact. energy: -1.796 local terms energy: -296.229361 where: bonds (distance) C4'-P energy: -58.822 bonds (distance) P-C4' energy: -57.658 flat angles C4'-P-C4' energy: -64.532 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: -76.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -837.126431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.126431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.126431 (E_RNA) where: Base-Base interactions energy: -551.817 where: short stacking energy: -250.432 Base-Backbone interact. energy: -0.724 local terms energy: -284.585464 where: bonds (distance) C4'-P energy: -59.447 bonds (distance) P-C4' energy: -57.150 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -34.047 tors. eta vs tors. theta energy: -69.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -755.275107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.275107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.275107 (E_RNA) where: Base-Base interactions energy: -467.028 where: short stacking energy: -203.694 Base-Backbone interact. energy: -1.912 local terms energy: -286.335135 where: bonds (distance) C4'-P energy: -60.196 bonds (distance) P-C4' energy: -70.506 flat angles C4'-P-C4' energy: -65.280 flat angles P-C4'-P energy: -35.593 tors. eta vs tors. theta energy: -54.761 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: 301 Temperature: 1.250000 Total energy: -575.908561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.908561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.908561 (E_RNA) where: Base-Base interactions energy: -364.458 where: short stacking energy: -199.328 Base-Backbone interact. energy: -0.045 local terms energy: -211.404948 where: bonds (distance) C4'-P energy: -23.588 bonds (distance) P-C4' energy: -62.044 flat angles C4'-P-C4' energy: -48.812 flat angles P-C4'-P energy: -30.745 tors. eta vs tors. theta energy: -46.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -537.407158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.407158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.407158 (E_RNA) where: Base-Base interactions energy: -298.887 where: short stacking energy: -140.584 Base-Backbone interact. energy: 0.935 local terms energy: -239.454935 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -57.018 flat angles C4'-P-C4' energy: -51.342 flat angles P-C4'-P energy: -43.390 tors. eta vs tors. theta energy: -22.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -270.833156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.833156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.833156 (E_RNA) where: Base-Base interactions energy: -89.465 where: short stacking energy: -56.450 Base-Backbone interact. energy: 0.363 local terms energy: -181.731427 where: bonds (distance) C4'-P energy: -50.375 bonds (distance) P-C4' energy: -73.297 flat angles C4'-P-C4' energy: -36.368 flat angles P-C4'-P energy: -38.854 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: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1111.333320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.333320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.333320 (E_RNA) where: Base-Base interactions energy: -768.970 where: short stacking energy: -310.588 Base-Backbone interact. energy: -0.635 local terms energy: -341.728783 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -70.531 flat angles P-C4'-P energy: -57.489 tors. eta vs tors. theta energy: -88.300 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: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1090.903734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.903734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.903734 (E_RNA) where: Base-Base interactions energy: -754.547 where: short stacking energy: -316.347 Base-Backbone interact. energy: 0.098 local terms energy: -336.454149 where: bonds (distance) C4'-P energy: -69.791 bonds (distance) P-C4' energy: -55.253 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: -93.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1012.347657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.347657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.347657 (E_RNA) where: Base-Base interactions energy: -689.980 where: short stacking energy: -293.202 Base-Backbone interact. energy: -1.057 local terms energy: -321.310683 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -58.349 flat angles C4'-P-C4' energy: -69.347 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: -79.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -997.694426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.694426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.694426 (E_RNA) where: Base-Base interactions energy: -685.850 where: short stacking energy: -283.679 Base-Backbone interact. energy: -0.903 local terms energy: -310.941192 where: bonds (distance) C4'-P energy: -53.159 bonds (distance) P-C4' energy: -62.277 flat angles C4'-P-C4' energy: -66.240 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -77.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -935.717113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.717113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.717113 (E_RNA) where: Base-Base interactions energy: -627.978 where: short stacking energy: -279.928 Base-Backbone interact. energy: -0.821 local terms energy: -306.918360 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -54.244 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -89.075 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: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -835.142629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.142629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.142629 (E_RNA) where: Base-Base interactions energy: -569.188 where: short stacking energy: -253.062 Base-Backbone interact. energy: -1.736 local terms energy: -264.218841 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -47.592 flat angles C4'-P-C4' energy: -58.080 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: -62.638 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: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -748.101234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.101234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.101234 (E_RNA) where: Base-Base interactions energy: -457.597 where: short stacking energy: -193.984 Base-Backbone interact. energy: -1.777 local terms energy: -288.726618 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -53.307 flat angles C4'-P-C4' energy: -66.661 flat angles P-C4'-P energy: -41.458 tors. eta vs tors. theta energy: -60.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -526.464888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.464888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.464888 (E_RNA) where: Base-Base interactions energy: -308.682 where: short stacking energy: -150.982 Base-Backbone interact. energy: 0.245 local terms energy: -218.027692 where: bonds (distance) C4'-P energy: -48.612 bonds (distance) P-C4' energy: -57.407 flat angles C4'-P-C4' energy: -54.284 flat angles P-C4'-P energy: -33.453 tors. eta vs tors. theta energy: -24.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -557.472527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.472527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.472527 (E_RNA) where: Base-Base interactions energy: -321.547 where: short stacking energy: -154.648 Base-Backbone interact. energy: -0.547 local terms energy: -235.378714 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -52.769 flat angles C4'-P-C4' energy: -51.229 flat angles P-C4'-P energy: -42.948 tors. eta vs tors. theta energy: -28.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -272.017572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.017572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.017572 (E_RNA) where: Base-Base interactions energy: -85.377 where: short stacking energy: -65.013 Base-Backbone interact. energy: -0.653 local terms energy: -185.987576 where: bonds (distance) C4'-P energy: -62.716 bonds (distance) P-C4' energy: -55.672 flat angles C4'-P-C4' energy: -41.511 flat angles P-C4'-P energy: -22.181 tors. eta vs tors. theta energy: -3.907 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: 303 Temperature: 0.900000 Total energy: -1118.794830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.794830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.794830 (E_RNA) where: Base-Base interactions energy: -778.004 where: short stacking energy: -311.877 Base-Backbone interact. energy: 1.132 local terms energy: -341.923064 where: bonds (distance) C4'-P energy: -63.119 bonds (distance) P-C4' energy: -60.161 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -54.129 tors. eta vs tors. theta energy: -91.137 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: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1100.728135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.728135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.728135 (E_RNA) where: Base-Base interactions energy: -762.188 where: short stacking energy: -319.598 Base-Backbone interact. energy: 0.065 local terms energy: -338.605093 where: bonds (distance) C4'-P energy: -53.809 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -48.382 tors. eta vs tors. theta energy: -105.090 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: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1058.472057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.472057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.472057 (E_RNA) where: Base-Base interactions energy: -742.012 where: short stacking energy: -305.841 Base-Backbone interact. energy: -1.719 local terms energy: -314.740724 where: bonds (distance) C4'-P energy: -50.780 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -87.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -981.998609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.998609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.998609 (E_RNA) where: Base-Base interactions energy: -664.912 where: short stacking energy: -289.681 Base-Backbone interact. energy: -1.496 local terms energy: -315.590520 where: bonds (distance) C4'-P energy: -54.300 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -90.218 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: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -938.848973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.848973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.848973 (E_RNA) where: Base-Base interactions energy: -648.431 where: short stacking energy: -274.830 Base-Backbone interact. energy: 1.784 local terms energy: -292.201402 where: bonds (distance) C4'-P energy: -46.498 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -37.908 tors. eta vs tors. theta energy: -85.121 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: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -817.328122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.328122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.328122 (E_RNA) where: Base-Base interactions energy: -538.947 where: short stacking energy: -229.447 Base-Backbone interact. energy: -1.754 local terms energy: -276.626950 where: bonds (distance) C4'-P energy: -63.820 bonds (distance) P-C4' energy: -58.144 flat angles C4'-P-C4' energy: -58.837 flat angles P-C4'-P energy: -41.554 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: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -759.670679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.670679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.670679 (E_RNA) where: Base-Base interactions energy: -514.034 where: short stacking energy: -215.075 Base-Backbone interact. energy: -1.825 local terms energy: -243.811832 where: bonds (distance) C4'-P energy: -45.207 bonds (distance) P-C4' energy: -59.407 flat angles C4'-P-C4' energy: -47.369 flat angles P-C4'-P energy: -36.188 tors. eta vs tors. theta energy: -55.641 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: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -559.262561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.262561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.262561 (E_RNA) where: Base-Base interactions energy: -331.546 where: short stacking energy: -152.589 Base-Backbone interact. energy: -0.747 local terms energy: -226.969167 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -59.559 flat angles C4'-P-C4' energy: -51.299 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -20.761 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: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -456.120712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.120712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.120712 (E_RNA) where: Base-Base interactions energy: -252.332 where: short stacking energy: -116.936 Base-Backbone interact. energy: -1.454 local terms energy: -202.334397 where: bonds (distance) C4'-P energy: -53.999 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -50.303 flat angles P-C4'-P energy: -29.086 tors. eta vs tors. theta energy: -7.736 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: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -264.663829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.663829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.663829 (E_RNA) where: Base-Base interactions energy: -82.198 where: short stacking energy: -70.212 Base-Backbone interact. energy: -0.122 local terms energy: -182.344664 where: bonds (distance) C4'-P energy: -47.902 bonds (distance) P-C4' energy: -59.710 flat angles C4'-P-C4' energy: -54.141 flat angles P-C4'-P energy: -23.393 tors. eta vs tors. theta energy: 2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1117.534046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.534046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.534046 (E_RNA) where: Base-Base interactions energy: -772.287 where: short stacking energy: -335.009 Base-Backbone interact. energy: -0.934 local terms energy: -344.312889 where: bonds (distance) C4'-P energy: -63.618 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -72.287 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -101.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1091.341890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.341890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.341890 (E_RNA) where: Base-Base interactions energy: -756.570 where: short stacking energy: -309.991 Base-Backbone interact. energy: -1.909 local terms energy: -332.862729 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -69.380 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -42.290 tors. eta vs tors. theta energy: -84.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -997.101055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.101055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.101055 (E_RNA) where: Base-Base interactions energy: -671.365 where: short stacking energy: -307.187 Base-Backbone interact. energy: -1.436 local terms energy: -324.299903 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -54.610 flat angles C4'-P-C4' energy: -67.109 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -85.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -992.337834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.337834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.337834 (E_RNA) where: Base-Base interactions energy: -684.678 where: short stacking energy: -284.454 Base-Backbone interact. energy: -1.513 local terms energy: -306.146418 where: bonds (distance) C4'-P energy: -52.754 bonds (distance) P-C4' energy: -62.081 flat angles C4'-P-C4' energy: -66.542 flat angles P-C4'-P energy: -47.995 tors. eta vs tors. theta energy: -76.775 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: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -919.181934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.181934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.181934 (E_RNA) where: Base-Base interactions energy: -615.350 where: short stacking energy: -281.249 Base-Backbone interact. energy: -0.014 local terms energy: -303.817782 where: bonds (distance) C4'-P energy: -49.760 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -69.397 flat angles P-C4'-P energy: -35.996 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -814.713476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.713476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.713476 (E_RNA) where: Base-Base interactions energy: -540.335 where: short stacking energy: -214.829 Base-Backbone interact. energy: -0.402 local terms energy: -273.977046 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -60.837 flat angles C4'-P-C4' energy: -63.981 flat angles P-C4'-P energy: -36.337 tors. eta vs tors. theta energy: -56.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -758.167971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.167971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.167971 (E_RNA) where: Base-Base interactions energy: -509.920 where: short stacking energy: -229.083 Base-Backbone interact. energy: -2.014 local terms energy: -246.234409 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -46.809 flat angles C4'-P-C4' energy: -50.790 flat angles P-C4'-P energy: -29.294 tors. eta vs tors. theta energy: -56.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -569.982262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.982262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.982262 (E_RNA) where: Base-Base interactions energy: -341.796 where: short stacking energy: -163.188 Base-Backbone interact. energy: -1.633 local terms energy: -226.553856 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -53.218 flat angles C4'-P-C4' energy: -62.324 flat angles P-C4'-P energy: -26.471 tors. eta vs tors. theta energy: -19.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -491.770826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.770826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.770826 (E_RNA) where: Base-Base interactions energy: -262.955 where: short stacking energy: -141.896 Base-Backbone interact. energy: -2.630 local terms energy: -226.185849 where: bonds (distance) C4'-P energy: -51.051 bonds (distance) P-C4' energy: -57.501 flat angles C4'-P-C4' energy: -58.288 flat angles P-C4'-P energy: -37.742 tors. eta vs tors. theta energy: -21.604 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: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -256.749830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.749830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.749830 (E_RNA) where: Base-Base interactions energy: -85.209 where: short stacking energy: -59.625 Base-Backbone interact. energy: -0.235 local terms energy: -171.305495 where: bonds (distance) C4'-P energy: -56.511 bonds (distance) P-C4' energy: -54.115 flat angles C4'-P-C4' energy: -44.555 flat angles P-C4'-P energy: -25.493 tors. eta vs tors. theta energy: 9.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1133.669007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.669007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.669007 (E_RNA) where: Base-Base interactions energy: -798.311 where: short stacking energy: -336.869 Base-Backbone interact. energy: -2.983 local terms energy: -332.375309 where: bonds (distance) C4'-P energy: -63.585 bonds (distance) P-C4' energy: -60.538 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -42.132 tors. eta vs tors. theta energy: -96.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1093.358914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.358914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.358914 (E_RNA) where: Base-Base interactions energy: -764.030 where: short stacking energy: -303.931 Base-Backbone interact. energy: -5.170 local terms energy: -324.159036 where: bonds (distance) C4'-P energy: -68.161 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -63.937 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -84.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1012.303771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.303771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.303771 (E_RNA) where: Base-Base interactions energy: -690.358 where: short stacking energy: -308.442 Base-Backbone interact. energy: -1.465 local terms energy: -320.481290 where: bonds (distance) C4'-P energy: -70.476 bonds (distance) P-C4' energy: -53.359 flat angles C4'-P-C4' energy: -62.378 flat angles P-C4'-P energy: -40.959 tors. eta vs tors. theta energy: -93.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -968.712136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.712136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.712136 (E_RNA) where: Base-Base interactions energy: -660.034 where: short stacking energy: -288.316 Base-Backbone interact. energy: -1.858 local terms energy: -306.819878 where: bonds (distance) C4'-P energy: -56.067 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -67.007 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -83.636 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: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -931.646188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.646188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.646188 (E_RNA) where: Base-Base interactions energy: -613.029 where: short stacking energy: -269.717 Base-Backbone interact. energy: -0.994 local terms energy: -317.623076 where: bonds (distance) C4'-P energy: -64.456 bonds (distance) P-C4' energy: -59.781 flat angles C4'-P-C4' energy: -68.274 flat angles P-C4'-P energy: -37.959 tors. eta vs tors. theta energy: -87.153 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: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -757.736800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.736800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.736800 (E_RNA) where: Base-Base interactions energy: -495.609 where: short stacking energy: -219.075 Base-Backbone interact. energy: 0.403 local terms energy: -262.531145 where: bonds (distance) C4'-P energy: -60.411 bonds (distance) P-C4' energy: -50.419 flat angles C4'-P-C4' energy: -56.096 flat angles P-C4'-P energy: -42.180 tors. eta vs tors. theta energy: -53.425 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: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -794.330220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.330220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.330220 (E_RNA) where: Base-Base interactions energy: -523.909 where: short stacking energy: -225.535 Base-Backbone interact. energy: -1.908 local terms energy: -268.512761 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -67.431 flat angles C4'-P-C4' energy: -57.897 flat angles P-C4'-P energy: -31.061 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -578.878274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.878274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.878274 (E_RNA) where: Base-Base interactions energy: -339.366 where: short stacking energy: -171.675 Base-Backbone interact. energy: -0.362 local terms energy: -239.150243 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -49.384 flat angles C4'-P-C4' energy: -52.356 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -35.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -482.921392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.921392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.921392 (E_RNA) where: Base-Base interactions energy: -263.593 where: short stacking energy: -141.138 Base-Backbone interact. energy: -0.463 local terms energy: -218.865917 where: bonds (distance) C4'-P energy: -57.328 bonds (distance) P-C4' energy: -56.302 flat angles C4'-P-C4' energy: -53.724 flat angles P-C4'-P energy: -38.519 tors. eta vs tors. theta energy: -12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -285.556204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.556204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.556204 (E_RNA) where: Base-Base interactions energy: -98.445 where: short stacking energy: -85.480 Base-Backbone interact. energy: 1.194 local terms energy: -188.304917 where: bonds (distance) C4'-P energy: -49.852 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -44.982 flat angles P-C4'-P energy: -35.562 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: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1092.780524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.780524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.780524 (E_RNA) where: Base-Base interactions energy: -770.606 where: short stacking energy: -315.807 Base-Backbone interact. energy: -2.575 local terms energy: -319.599619 where: bonds (distance) C4'-P energy: -57.545 bonds (distance) P-C4' energy: -60.963 flat angles C4'-P-C4' energy: -71.864 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -81.958 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: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1104.622373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.622373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.622373 (E_RNA) where: Base-Base interactions energy: -759.958 where: short stacking energy: -332.114 Base-Backbone interact. energy: -0.964 local terms energy: -343.700466 where: bonds (distance) C4'-P energy: -61.851 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -74.254 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -94.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -997.516333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.516333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.516333 (E_RNA) where: Base-Base interactions energy: -669.948 where: short stacking energy: -290.498 Base-Backbone interact. energy: -0.727 local terms energy: -326.841176 where: bonds (distance) C4'-P energy: -64.792 bonds (distance) P-C4' energy: -58.278 flat angles C4'-P-C4' energy: -71.541 flat angles P-C4'-P energy: -46.167 tors. eta vs tors. theta energy: -86.064 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: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -974.520642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.520642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.520642 (E_RNA) where: Base-Base interactions energy: -668.385 where: short stacking energy: -285.676 Base-Backbone interact. energy: -0.286 local terms energy: -305.850214 where: bonds (distance) C4'-P energy: -60.297 bonds (distance) P-C4' energy: -62.075 flat angles C4'-P-C4' energy: -64.128 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -76.037 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: 306 Temperature: 1.100000 Total energy: -938.830009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.830009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.830009 (E_RNA) where: Base-Base interactions energy: -609.929 where: short stacking energy: -261.644 Base-Backbone interact. energy: -0.232 local terms energy: -328.669475 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -64.212 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -44.241 tors. eta vs tors. theta energy: -90.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -728.806380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.806380 (E_RNA) where: Base-Base interactions energy: -448.650 where: short stacking energy: -194.311 Base-Backbone interact. energy: 1.559 local terms energy: -281.715509 where: bonds (distance) C4'-P energy: -57.775 bonds (distance) P-C4' energy: -64.721 flat angles C4'-P-C4' energy: -67.426 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -51.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -769.618327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.618327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.618327 (E_RNA) where: Base-Base interactions energy: -538.972 where: short stacking energy: -223.990 Base-Backbone interact. energy: 0.324 local terms energy: -230.970804 where: bonds (distance) C4'-P energy: -45.662 bonds (distance) P-C4' energy: -50.868 flat angles C4'-P-C4' energy: -57.915 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: -41.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -588.211044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.211044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.211044 (E_RNA) where: Base-Base interactions energy: -356.172 where: short stacking energy: -183.893 Base-Backbone interact. energy: 0.225 local terms energy: -232.264037 where: bonds (distance) C4'-P energy: -46.069 bonds (distance) P-C4' energy: -64.391 flat angles C4'-P-C4' energy: -54.307 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: -31.687 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: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -470.324966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.324966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.324966 (E_RNA) where: Base-Base interactions energy: -267.214 where: short stacking energy: -139.716 Base-Backbone interact. energy: -0.361 local terms energy: -202.750911 where: bonds (distance) C4'-P energy: -44.595 bonds (distance) P-C4' energy: -61.131 flat angles C4'-P-C4' energy: -51.252 flat angles P-C4'-P energy: -27.356 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -297.153472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.153472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.153472 (E_RNA) where: Base-Base interactions energy: -123.058 where: short stacking energy: -108.630 Base-Backbone interact. energy: 0.901 local terms energy: -174.996436 where: bonds (distance) C4'-P energy: -52.845 bonds (distance) P-C4' energy: -51.112 flat angles C4'-P-C4' energy: -33.085 flat angles P-C4'-P energy: -28.831 tors. eta vs tors. theta energy: -9.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1131.860645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.860645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.860645 (E_RNA) where: Base-Base interactions energy: -792.854 where: short stacking energy: -314.715 Base-Backbone interact. energy: -2.534 local terms energy: -336.472767 where: bonds (distance) C4'-P energy: -68.932 bonds (distance) P-C4' energy: -67.414 flat angles C4'-P-C4' energy: -66.083 flat angles P-C4'-P energy: -48.089 tors. eta vs tors. theta energy: -85.955 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: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1111.925475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.925475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.925475 (E_RNA) where: Base-Base interactions energy: -773.243 where: short stacking energy: -334.233 Base-Backbone interact. energy: -1.994 local terms energy: -336.688854 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -67.833 flat angles C4'-P-C4' energy: -69.537 flat angles P-C4'-P energy: -43.305 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: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -998.917193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.917193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.917193 (E_RNA) where: Base-Base interactions energy: -682.610 where: short stacking energy: -299.600 Base-Backbone interact. energy: -0.944 local terms energy: -315.363018 where: bonds (distance) C4'-P energy: -51.828 bonds (distance) P-C4' energy: -61.800 flat angles C4'-P-C4' energy: -68.963 flat angles P-C4'-P energy: -49.478 tors. eta vs tors. theta energy: -83.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -960.779484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.779484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.779484 (E_RNA) where: Base-Base interactions energy: -673.946 where: short stacking energy: -281.855 Base-Backbone interact. energy: 0.197 local terms energy: -287.030597 where: bonds (distance) C4'-P energy: -47.996 bonds (distance) P-C4' energy: -58.563 flat angles C4'-P-C4' energy: -65.362 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -74.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -898.439031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.439031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.439031 (E_RNA) where: Base-Base interactions energy: -611.894 where: short stacking energy: -267.462 Base-Backbone interact. energy: 2.070 local terms energy: -288.615469 where: bonds (distance) C4'-P energy: -53.676 bonds (distance) P-C4' energy: -49.507 flat angles C4'-P-C4' energy: -67.522 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -80.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -814.799051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.799051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.799051 (E_RNA) where: Base-Base interactions energy: -525.323 where: short stacking energy: -236.045 Base-Backbone interact. energy: -1.811 local terms energy: -287.665561 where: bonds (distance) C4'-P energy: -56.382 bonds (distance) P-C4' energy: -56.171 flat angles C4'-P-C4' energy: -64.955 flat angles P-C4'-P energy: -46.610 tors. eta vs tors. theta energy: -63.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -704.580176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.580176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.580176 (E_RNA) where: Base-Base interactions energy: -435.287 where: short stacking energy: -183.048 Base-Backbone interact. energy: -2.052 local terms energy: -267.240393 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -52.026 flat angles C4'-P-C4' energy: -65.885 flat angles P-C4'-P energy: -51.120 tors. eta vs tors. theta energy: -38.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -592.517589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.517589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.517589 (E_RNA) where: Base-Base interactions energy: -349.167 where: short stacking energy: -163.400 Base-Backbone interact. energy: -2.175 local terms energy: -241.175350 where: bonds (distance) C4'-P energy: -64.976 bonds (distance) P-C4' energy: -56.999 flat angles C4'-P-C4' energy: -54.047 flat angles P-C4'-P energy: -30.220 tors. eta vs tors. theta energy: -34.933 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: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -464.710566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.710566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.710566 (E_RNA) where: Base-Base interactions energy: -259.577 where: short stacking energy: -119.901 Base-Backbone interact. energy: -0.438 local terms energy: -204.695939 where: bonds (distance) C4'-P energy: -49.345 bonds (distance) P-C4' energy: -58.382 flat angles C4'-P-C4' energy: -58.196 flat angles P-C4'-P energy: -24.210 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -265.113121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.113121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.113121 (E_RNA) where: Base-Base interactions energy: -87.142 where: short stacking energy: -78.476 Base-Backbone interact. energy: -0.955 local terms energy: -177.015583 where: bonds (distance) C4'-P energy: -48.693 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -48.317 flat angles P-C4'-P energy: -23.830 tors. eta vs tors. theta energy: 8.710 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: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1127.498739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.498739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.498739 (E_RNA) where: Base-Base interactions energy: -774.443 where: short stacking energy: -334.386 Base-Backbone interact. energy: -0.006 local terms energy: -353.049650 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -59.391 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -100.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1092.675051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.675051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.675051 (E_RNA) where: Base-Base interactions energy: -749.422 where: short stacking energy: -304.025 Base-Backbone interact. energy: -0.197 local terms energy: -343.056693 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -71.376 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -89.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1031.507909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.507909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.507909 (E_RNA) where: Base-Base interactions energy: -687.462 where: short stacking energy: -304.633 Base-Backbone interact. energy: -0.246 local terms energy: -343.800004 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -63.959 flat angles C4'-P-C4' energy: -74.438 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -90.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -972.368059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.368059 (E_RNA) where: Base-Base interactions energy: -656.222 where: short stacking energy: -271.613 Base-Backbone interact. energy: 0.128 local terms energy: -316.273932 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -61.521 flat angles C4'-P-C4' energy: -60.817 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -78.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -894.671492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.671492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.671492 (E_RNA) where: Base-Base interactions energy: -594.143 where: short stacking energy: -255.412 Base-Backbone interact. energy: -1.458 local terms energy: -299.070706 where: bonds (distance) C4'-P energy: -52.226 bonds (distance) P-C4' energy: -60.214 flat angles C4'-P-C4' energy: -71.911 flat angles P-C4'-P energy: -44.256 tors. eta vs tors. theta energy: -70.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -839.725481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.725481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.725481 (E_RNA) where: Base-Base interactions energy: -555.589 where: short stacking energy: -246.449 Base-Backbone interact. energy: 0.520 local terms energy: -284.656566 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -61.394 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: -57.904 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: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -687.033278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.033278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.033278 (E_RNA) where: Base-Base interactions energy: -428.539 where: short stacking energy: -200.242 Base-Backbone interact. energy: 4.558 local terms energy: -263.052447 where: bonds (distance) C4'-P energy: -66.016 bonds (distance) P-C4' energy: -51.246 flat angles C4'-P-C4' energy: -52.375 flat angles P-C4'-P energy: -51.427 tors. eta vs tors. theta energy: -41.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -574.543311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.543311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.543311 (E_RNA) where: Base-Base interactions energy: -337.499 where: short stacking energy: -158.325 Base-Backbone interact. energy: -2.207 local terms energy: -234.837596 where: bonds (distance) C4'-P energy: -55.755 bonds (distance) P-C4' energy: -61.326 flat angles C4'-P-C4' energy: -51.851 flat angles P-C4'-P energy: -31.526 tors. eta vs tors. theta energy: -34.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -451.678666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.678666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.678666 (E_RNA) where: Base-Base interactions energy: -258.884 where: short stacking energy: -144.914 Base-Backbone interact. energy: 0.433 local terms energy: -193.228024 where: bonds (distance) C4'-P energy: -45.561 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -43.215 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -277.107845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.107845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.107845 (E_RNA) where: Base-Base interactions energy: -97.210 where: short stacking energy: -89.185 Base-Backbone interact. energy: -1.203 local terms energy: -178.694241 where: bonds (distance) C4'-P energy: -52.655 bonds (distance) P-C4' energy: -55.555 flat angles C4'-P-C4' energy: -47.195 flat angles P-C4'-P energy: -30.809 tors. eta vs tors. theta energy: 7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1131.267153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.267153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.267153 (E_RNA) where: Base-Base interactions energy: -784.665 where: short stacking energy: -333.338 Base-Backbone interact. energy: -1.575 local terms energy: -345.027247 where: bonds (distance) C4'-P energy: -58.335 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -68.597 flat angles P-C4'-P energy: -53.456 tors. eta vs tors. theta energy: -97.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1082.036964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.036964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.036964 (E_RNA) where: Base-Base interactions energy: -748.779 where: short stacking energy: -293.825 Base-Backbone interact. energy: 0.168 local terms energy: -333.425797 where: bonds (distance) C4'-P energy: -65.526 bonds (distance) P-C4' energy: -63.001 flat angles C4'-P-C4' energy: -66.170 flat angles P-C4'-P energy: -53.532 tors. eta vs tors. theta energy: -85.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1035.150108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.150108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.150108 (E_RNA) where: Base-Base interactions energy: -706.700 where: short stacking energy: -292.163 Base-Backbone interact. energy: -0.517 local terms energy: -327.933062 where: bonds (distance) C4'-P energy: -64.245 bonds (distance) P-C4' energy: -66.354 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -76.322 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: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -984.339995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.339995 (E_RNA) where: Base-Base interactions energy: -655.523 where: short stacking energy: -289.923 Base-Backbone interact. energy: -1.590 local terms energy: -327.226972 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -65.215 flat angles P-C4'-P energy: -49.902 tors. eta vs tors. theta energy: -85.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -960.826871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.826871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.826871 (E_RNA) where: Base-Base interactions energy: -649.839 where: short stacking energy: -294.867 Base-Backbone interact. energy: -0.360 local terms energy: -310.628037 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -59.502 flat angles P-C4'-P energy: -42.255 tors. eta vs tors. theta energy: -79.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -855.638432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.638432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.638432 (E_RNA) where: Base-Base interactions energy: -571.726 where: short stacking energy: -255.495 Base-Backbone interact. energy: -1.752 local terms energy: -282.160222 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -56.410 flat angles C4'-P-C4' energy: -64.037 flat angles P-C4'-P energy: -38.919 tors. eta vs tors. theta energy: -66.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -673.583630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.583630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.583630 (E_RNA) where: Base-Base interactions energy: -405.794 where: short stacking energy: -195.616 Base-Backbone interact. energy: -0.958 local terms energy: -266.832178 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -61.681 flat angles P-C4'-P energy: -33.765 tors. eta vs tors. theta energy: -46.407 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: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -571.252467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.252467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.252467 (E_RNA) where: Base-Base interactions energy: -344.677 where: short stacking energy: -156.346 Base-Backbone interact. energy: 1.765 local terms energy: -228.339933 where: bonds (distance) C4'-P energy: -57.008 bonds (distance) P-C4' energy: -54.510 flat angles C4'-P-C4' energy: -49.644 flat angles P-C4'-P energy: -31.721 tors. eta vs tors. theta energy: -35.457 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: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -462.660462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.660462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.660462 (E_RNA) where: Base-Base interactions energy: -263.091 where: short stacking energy: -142.012 Base-Backbone interact. energy: -1.633 local terms energy: -197.936795 where: bonds (distance) C4'-P energy: -52.218 bonds (distance) P-C4' energy: -60.098 flat angles C4'-P-C4' energy: -37.601 flat angles P-C4'-P energy: -35.859 tors. eta vs tors. theta energy: -12.162 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: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -285.189022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.189022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.189022 (E_RNA) where: Base-Base interactions energy: -99.220 where: short stacking energy: -92.163 Base-Backbone interact. energy: -0.040 local terms energy: -185.928765 where: bonds (distance) C4'-P energy: -44.538 bonds (distance) P-C4' energy: -58.698 flat angles C4'-P-C4' energy: -56.615 flat angles P-C4'-P energy: -24.715 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1133.432754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.432754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.432754 (E_RNA) where: Base-Base interactions energy: -782.107 where: short stacking energy: -351.587 Base-Backbone interact. energy: 2.324 local terms energy: -353.649756 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -56.090 flat angles C4'-P-C4' energy: -73.688 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -111.545 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1115.161616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.161616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.161616 (E_RNA) where: Base-Base interactions energy: -768.956 where: short stacking energy: -307.665 Base-Backbone interact. energy: -3.316 local terms energy: -342.890056 where: bonds (distance) C4'-P energy: -67.946 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -83.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1035.003455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.003455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.003455 (E_RNA) where: Base-Base interactions energy: -708.208 where: short stacking energy: -306.100 Base-Backbone interact. energy: -0.242 local terms energy: -326.553293 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -69.112 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -83.484 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: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -970.213713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.213713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.213713 (E_RNA) where: Base-Base interactions energy: -650.297 where: short stacking energy: -292.889 Base-Backbone interact. energy: 0.802 local terms energy: -320.717989 where: bonds (distance) C4'-P energy: -55.614 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -44.982 tors. eta vs tors. theta energy: -82.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -946.666045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.666045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.666045 (E_RNA) where: Base-Base interactions energy: -635.317 where: short stacking energy: -278.832 Base-Backbone interact. energy: -1.052 local terms energy: -310.296510 where: bonds (distance) C4'-P energy: -65.820 bonds (distance) P-C4' energy: -55.989 flat angles C4'-P-C4' energy: -54.949 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -92.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -823.294905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.294905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.294905 (E_RNA) where: Base-Base interactions energy: -553.577 where: short stacking energy: -241.925 Base-Backbone interact. energy: -0.781 local terms energy: -268.937328 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -48.155 flat angles C4'-P-C4' energy: -63.828 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -59.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -671.831311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.831311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.831311 (E_RNA) where: Base-Base interactions energy: -441.003 where: short stacking energy: -193.620 Base-Backbone interact. energy: 4.032 local terms energy: -234.859753 where: bonds (distance) C4'-P energy: -49.372 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -49.163 flat angles P-C4'-P energy: -30.286 tors. eta vs tors. theta energy: -38.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -576.748091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.748091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.748091 (E_RNA) where: Base-Base interactions energy: -348.847 where: short stacking energy: -153.791 Base-Backbone interact. energy: 1.872 local terms energy: -229.773316 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -50.999 flat angles C4'-P-C4' energy: -60.386 flat angles P-C4'-P energy: -32.116 tors. eta vs tors. theta energy: -21.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -460.742529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.742529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.742529 (E_RNA) where: Base-Base interactions energy: -265.023 where: short stacking energy: -132.702 Base-Backbone interact. energy: 5.591 local terms energy: -201.309988 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -49.387 flat angles C4'-P-C4' energy: -42.987 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -10.550 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: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -263.558895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.558895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.558895 (E_RNA) where: Base-Base interactions energy: -113.469 where: short stacking energy: -67.513 Base-Backbone interact. energy: -0.390 local terms energy: -149.699683 where: bonds (distance) C4'-P energy: -54.395 bonds (distance) P-C4' energy: -57.068 flat angles C4'-P-C4' energy: -44.047 flat angles P-C4'-P energy: -17.322 tors. eta vs tors. theta energy: 23.132 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: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1130.669221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.669221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.669221 (E_RNA) where: Base-Base interactions energy: -779.972 where: short stacking energy: -334.592 Base-Backbone interact. energy: -1.411 local terms energy: -349.286878 where: bonds (distance) C4'-P energy: -62.484 bonds (distance) P-C4' energy: -71.937 flat angles C4'-P-C4' energy: -64.139 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -96.398 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: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1113.543839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.543839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.543839 (E_RNA) where: Base-Base interactions energy: -760.794 where: short stacking energy: -317.265 Base-Backbone interact. energy: -2.779 local terms energy: -349.970865 where: bonds (distance) C4'-P energy: -62.410 bonds (distance) P-C4' energy: -76.109 flat angles C4'-P-C4' energy: -74.585 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -90.480 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: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1012.087500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.087500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.087500 (E_RNA) where: Base-Base interactions energy: -682.940 where: short stacking energy: -280.247 Base-Backbone interact. energy: -0.331 local terms energy: -328.816243 where: bonds (distance) C4'-P energy: -63.879 bonds (distance) P-C4' energy: -62.883 flat angles C4'-P-C4' energy: -66.520 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -82.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -980.869153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.869153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.869153 (E_RNA) where: Base-Base interactions energy: -656.639 where: short stacking energy: -288.170 Base-Backbone interact. energy: -2.048 local terms energy: -322.182504 where: bonds (distance) C4'-P energy: -49.723 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -89.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -963.844511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.844511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.844511 (E_RNA) where: Base-Base interactions energy: -647.068 where: short stacking energy: -286.784 Base-Backbone interact. energy: -1.299 local terms energy: -315.477210 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -63.098 flat angles C4'-P-C4' energy: -65.247 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -83.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -691.154396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.154396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.154396 (E_RNA) where: Base-Base interactions energy: -444.926 where: short stacking energy: -213.931 Base-Backbone interact. energy: -0.807 local terms energy: -245.421941 where: bonds (distance) C4'-P energy: -60.475 bonds (distance) P-C4' energy: -45.169 flat angles C4'-P-C4' energy: -62.087 flat angles P-C4'-P energy: -36.801 tors. eta vs tors. theta energy: -40.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -789.995633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.995633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.995633 (E_RNA) where: Base-Base interactions energy: -532.909 where: short stacking energy: -232.442 Base-Backbone interact. energy: -1.444 local terms energy: -255.643275 where: bonds (distance) C4'-P energy: -46.096 bonds (distance) P-C4' energy: -50.648 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -31.576 tors. eta vs tors. theta energy: -60.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -615.382982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.382982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.382982 (E_RNA) where: Base-Base interactions energy: -384.793 where: short stacking energy: -197.192 Base-Backbone interact. energy: -1.228 local terms energy: -229.361455 where: bonds (distance) C4'-P energy: -49.452 bonds (distance) P-C4' energy: -50.496 flat angles C4'-P-C4' energy: -60.221 flat angles P-C4'-P energy: -33.065 tors. eta vs tors. theta energy: -36.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -450.376321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.376321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.376321 (E_RNA) where: Base-Base interactions energy: -258.947 where: short stacking energy: -136.439 Base-Backbone interact. energy: -1.479 local terms energy: -189.949981 where: bonds (distance) C4'-P energy: -33.004 bonds (distance) P-C4' energy: -65.652 flat angles C4'-P-C4' energy: -53.689 flat angles P-C4'-P energy: -31.912 tors. eta vs tors. theta energy: -5.693 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: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -321.843358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.843358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.843358 (E_RNA) where: Base-Base interactions energy: -138.907 where: short stacking energy: -84.355 Base-Backbone interact. energy: 0.052 local terms energy: -182.987862 where: bonds (distance) C4'-P energy: -54.563 bonds (distance) P-C4' energy: -60.858 flat angles C4'-P-C4' energy: -51.149 flat angles P-C4'-P energy: -27.266 tors. eta vs tors. theta energy: 10.848 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: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1122.676203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.676203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.676203 (E_RNA) where: Base-Base interactions energy: -792.917 where: short stacking energy: -315.416 Base-Backbone interact. energy: -1.895 local terms energy: -327.864207 where: bonds (distance) C4'-P energy: -62.383 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -48.875 tors. eta vs tors. theta energy: -86.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1108.343914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.343914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.343914 (E_RNA) where: Base-Base interactions energy: -767.338 where: short stacking energy: -338.921 Base-Backbone interact. energy: 1.985 local terms energy: -342.991515 where: bonds (distance) C4'-P energy: -60.966 bonds (distance) P-C4' energy: -53.609 flat angles C4'-P-C4' energy: -67.504 flat angles P-C4'-P energy: -56.332 tors. eta vs tors. theta energy: -104.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1030.237680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.237680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.237680 (E_RNA) where: Base-Base interactions energy: -715.026 where: short stacking energy: -299.016 Base-Backbone interact. energy: -0.892 local terms energy: -314.320041 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -60.868 flat angles C4'-P-C4' energy: -62.385 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: -88.997 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: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1016.360775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.360775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.360775 (E_RNA) where: Base-Base interactions energy: -681.516 where: short stacking energy: -298.669 Base-Backbone interact. energy: -0.396 local terms energy: -334.449393 where: bonds (distance) C4'-P energy: -55.364 bonds (distance) P-C4' energy: -63.596 flat angles C4'-P-C4' energy: -69.877 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: -96.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -949.689624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.689624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.689624 (E_RNA) where: Base-Base interactions energy: -628.273 where: short stacking energy: -277.080 Base-Backbone interact. energy: -1.345 local terms energy: -320.072122 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -63.205 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -42.165 tors. eta vs tors. theta energy: -84.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -685.879483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.879483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.879483 (E_RNA) where: Base-Base interactions energy: -434.964 where: short stacking energy: -196.414 Base-Backbone interact. energy: -1.334 local terms energy: -249.580645 where: bonds (distance) C4'-P energy: -58.923 bonds (distance) P-C4' energy: -47.259 flat angles C4'-P-C4' energy: -52.238 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -48.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -797.261665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.261665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.261665 (E_RNA) where: Base-Base interactions energy: -533.412 where: short stacking energy: -237.611 Base-Backbone interact. energy: 3.242 local terms energy: -267.091904 where: bonds (distance) C4'-P energy: -41.929 bonds (distance) P-C4' energy: -59.488 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -42.076 tors. eta vs tors. theta energy: -53.547 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: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -635.720525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.720525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.720525 (E_RNA) where: Base-Base interactions energy: -384.740 where: short stacking energy: -181.223 Base-Backbone interact. energy: 0.403 local terms energy: -251.382814 where: bonds (distance) C4'-P energy: -56.613 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -44.480 flat angles P-C4'-P energy: -38.484 tors. eta vs tors. theta energy: -43.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -461.028658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.028658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.028658 (E_RNA) where: Base-Base interactions energy: -261.564 where: short stacking energy: -130.157 Base-Backbone interact. energy: -1.971 local terms energy: -197.494044 where: bonds (distance) C4'-P energy: -51.808 bonds (distance) P-C4' energy: -54.687 flat angles C4'-P-C4' energy: -57.864 flat angles P-C4'-P energy: -19.136 tors. eta vs tors. theta energy: -13.999 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: 312 Temperature: 1.350000 Total energy: -277.214539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.214539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.214539 (E_RNA) where: Base-Base interactions energy: -100.309 where: short stacking energy: -53.954 Base-Backbone interact. energy: -0.477 local terms energy: -176.428481 where: bonds (distance) C4'-P energy: -59.059 bonds (distance) P-C4' energy: -59.875 flat angles C4'-P-C4' energy: -39.385 flat angles P-C4'-P energy: -33.022 tors. eta vs tors. theta energy: 14.913 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: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1122.607262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.607262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.607262 (E_RNA) where: Base-Base interactions energy: -795.998 where: short stacking energy: -307.103 Base-Backbone interact. energy: 2.759 local terms energy: -329.368095 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -64.944 flat angles C4'-P-C4' energy: -74.099 flat angles P-C4'-P energy: -45.594 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: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1106.591064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.591064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.591064 (E_RNA) where: Base-Base interactions energy: -766.863 where: short stacking energy: -336.796 Base-Backbone interact. energy: -0.668 local terms energy: -339.059939 where: bonds (distance) C4'-P energy: -51.658 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -74.474 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -101.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1029.803778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.803778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.803778 (E_RNA) where: Base-Base interactions energy: -697.046 where: short stacking energy: -299.469 Base-Backbone interact. energy: 1.032 local terms energy: -333.789643 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -69.107 flat angles C4'-P-C4' energy: -59.590 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: -88.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -996.051064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.051064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.051064 (E_RNA) where: Base-Base interactions energy: -682.656 where: short stacking energy: -305.400 Base-Backbone interact. energy: -0.860 local terms energy: -312.535204 where: bonds (distance) C4'-P energy: -63.655 bonds (distance) P-C4' energy: -60.879 flat angles C4'-P-C4' energy: -55.785 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -86.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -960.573209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.573209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.573209 (E_RNA) where: Base-Base interactions energy: -660.411 where: short stacking energy: -278.846 Base-Backbone interact. energy: 1.427 local terms energy: -301.589116 where: bonds (distance) C4'-P energy: -42.890 bonds (distance) P-C4' energy: -69.798 flat angles C4'-P-C4' energy: -68.099 flat angles P-C4'-P energy: -37.923 tors. eta vs tors. theta energy: -82.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -801.297341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.297341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.297341 (E_RNA) where: Base-Base interactions energy: -514.662 where: short stacking energy: -222.183 Base-Backbone interact. energy: -1.156 local terms energy: -285.479481 where: bonds (distance) C4'-P energy: -64.178 bonds (distance) P-C4' energy: -57.715 flat angles C4'-P-C4' energy: -63.288 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -56.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -668.097041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.097041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.097041 (E_RNA) where: Base-Base interactions energy: -436.114 where: short stacking energy: -180.672 Base-Backbone interact. energy: -0.707 local terms energy: -231.275286 where: bonds (distance) C4'-P energy: -59.566 bonds (distance) P-C4' energy: -57.935 flat angles C4'-P-C4' energy: -54.510 flat angles P-C4'-P energy: -22.950 tors. eta vs tors. theta energy: -36.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -583.157741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.157741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.157741 (E_RNA) where: Base-Base interactions energy: -352.008 where: short stacking energy: -155.049 Base-Backbone interact. energy: -1.184 local terms energy: -229.965970 where: bonds (distance) C4'-P energy: -55.377 bonds (distance) P-C4' energy: -67.160 flat angles C4'-P-C4' energy: -42.584 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: -27.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -493.830181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.830181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.830181 (E_RNA) where: Base-Base interactions energy: -282.911 where: short stacking energy: -150.338 Base-Backbone interact. energy: 0.027 local terms energy: -210.946197 where: bonds (distance) C4'-P energy: -43.874 bonds (distance) P-C4' energy: -54.899 flat angles C4'-P-C4' energy: -50.933 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: -18.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -267.822625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.822625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.822625 (E_RNA) where: Base-Base interactions energy: -75.533 where: short stacking energy: -70.549 Base-Backbone interact. energy: -0.240 local terms energy: -192.048877 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -57.384 flat angles C4'-P-C4' energy: -41.589 flat angles P-C4'-P energy: -30.993 tors. eta vs tors. theta energy: -4.073 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: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1126.052288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.052288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.052288 (E_RNA) where: Base-Base interactions energy: -772.258 where: short stacking energy: -332.898 Base-Backbone interact. energy: -2.022 local terms energy: -351.771906 where: bonds (distance) C4'-P energy: -72.458 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -67.197 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -97.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1081.874073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.874073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.874073 (E_RNA) where: Base-Base interactions energy: -751.270 where: short stacking energy: -313.136 Base-Backbone interact. energy: -0.380 local terms energy: -330.224471 where: bonds (distance) C4'-P energy: -56.831 bonds (distance) P-C4' energy: -67.040 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -78.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1036.944883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.944883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.944883 (E_RNA) where: Base-Base interactions energy: -706.488 where: short stacking energy: -330.013 Base-Backbone interact. energy: -0.379 local terms energy: -330.078371 where: bonds (distance) C4'-P energy: -52.505 bonds (distance) P-C4' energy: -52.452 flat angles C4'-P-C4' energy: -68.321 flat angles P-C4'-P energy: -52.636 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: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -979.013120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.013120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.013120 (E_RNA) where: Base-Base interactions energy: -670.082 where: short stacking energy: -294.136 Base-Backbone interact. energy: -1.736 local terms energy: -307.194533 where: bonds (distance) C4'-P energy: -60.595 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -57.767 flat angles P-C4'-P energy: -50.874 tors. eta vs tors. theta energy: -85.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -965.226386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.226386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.226386 (E_RNA) where: Base-Base interactions energy: -651.064 where: short stacking energy: -283.751 Base-Backbone interact. energy: -0.349 local terms energy: -313.813000 where: bonds (distance) C4'-P energy: -44.500 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -70.828 flat angles P-C4'-P energy: -43.836 tors. eta vs tors. theta energy: -90.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -838.432959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.432959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.432959 (E_RNA) where: Base-Base interactions energy: -557.614 where: short stacking energy: -242.025 Base-Backbone interact. energy: -0.912 local terms energy: -279.907153 where: bonds (distance) C4'-P energy: -56.720 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -67.179 flat angles P-C4'-P energy: -38.604 tors. eta vs tors. theta energy: -55.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -662.327181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.327181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.327181 (E_RNA) where: Base-Base interactions energy: -417.623 where: short stacking energy: -185.183 Base-Backbone interact. energy: -1.186 local terms energy: -243.517919 where: bonds (distance) C4'-P energy: -56.627 bonds (distance) P-C4' energy: -53.299 flat angles C4'-P-C4' energy: -59.621 flat angles P-C4'-P energy: -35.540 tors. eta vs tors. theta energy: -38.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -540.744513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.744513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.744513 (E_RNA) where: Base-Base interactions energy: -308.273 where: short stacking energy: -155.473 Base-Backbone interact. energy: 0.610 local terms energy: -233.081247 where: bonds (distance) C4'-P energy: -55.601 bonds (distance) P-C4' energy: -52.718 flat angles C4'-P-C4' energy: -59.917 flat angles P-C4'-P energy: -37.428 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -450.395205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.395205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.395205 (E_RNA) where: Base-Base interactions energy: -243.830 where: short stacking energy: -134.017 Base-Backbone interact. energy: 0.073 local terms energy: -206.638402 where: bonds (distance) C4'-P energy: -55.398 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -36.851 flat angles P-C4'-P energy: -33.103 tors. eta vs tors. theta energy: -19.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -278.740969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.740969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.740969 (E_RNA) where: Base-Base interactions energy: -88.957 where: short stacking energy: -64.646 Base-Backbone interact. energy: -1.635 local terms energy: -188.148796 where: bonds (distance) C4'-P energy: -54.145 bonds (distance) P-C4' energy: -62.355 flat angles C4'-P-C4' energy: -39.484 flat angles P-C4'-P energy: -33.115 tors. eta vs tors. theta energy: 0.951 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: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1124.935634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.935634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.935634 (E_RNA) where: Base-Base interactions energy: -759.915 where: short stacking energy: -330.540 Base-Backbone interact. energy: -0.610 local terms energy: -364.410487 where: bonds (distance) C4'-P energy: -70.518 bonds (distance) P-C4' energy: -69.861 flat angles C4'-P-C4' energy: -70.988 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -95.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1090.938032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.938032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.938032 (E_RNA) where: Base-Base interactions energy: -763.863 where: short stacking energy: -318.958 Base-Backbone interact. energy: 1.294 local terms energy: -328.369454 where: bonds (distance) C4'-P energy: -61.971 bonds (distance) P-C4' energy: -62.122 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -86.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1057.214351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.214351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.214351 (E_RNA) where: Base-Base interactions energy: -714.189 where: short stacking energy: -327.145 Base-Backbone interact. energy: -1.228 local terms energy: -341.798229 where: bonds (distance) C4'-P energy: -59.437 bonds (distance) P-C4' energy: -64.620 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -53.596 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: 4, replica: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -960.274254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.274254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.274254 (E_RNA) where: Base-Base interactions energy: -651.229 where: short stacking energy: -284.290 Base-Backbone interact. energy: -0.982 local terms energy: -308.063474 where: bonds (distance) C4'-P energy: -54.142 bonds (distance) P-C4' energy: -57.229 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -82.437 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: 315 Temperature: 1.100000 Total energy: -954.883399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.883399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.883399 (E_RNA) where: Base-Base interactions energy: -636.319 where: short stacking energy: -265.140 Base-Backbone interact. energy: -0.964 local terms energy: -317.600434 where: bonds (distance) C4'-P energy: -47.645 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -82.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -832.806923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.806923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.806923 (E_RNA) where: Base-Base interactions energy: -549.671 where: short stacking energy: -239.014 Base-Backbone interact. energy: -0.356 local terms energy: -282.780140 where: bonds (distance) C4'-P energy: -56.627 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -62.594 flat angles P-C4'-P energy: -36.769 tors. eta vs tors. theta energy: -65.519 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: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -642.078497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.078497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.078497 (E_RNA) where: Base-Base interactions energy: -404.832 where: short stacking energy: -206.054 Base-Backbone interact. energy: 0.351 local terms energy: -237.598062 where: bonds (distance) C4'-P energy: -42.776 bonds (distance) P-C4' energy: -52.105 flat angles C4'-P-C4' energy: -58.421 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -50.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -595.078467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.078467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.078467 (E_RNA) where: Base-Base interactions energy: -348.076 where: short stacking energy: -183.590 Base-Backbone interact. energy: 2.947 local terms energy: -249.949937 where: bonds (distance) C4'-P energy: -53.050 bonds (distance) P-C4' energy: -67.976 flat angles C4'-P-C4' energy: -56.277 flat angles P-C4'-P energy: -37.249 tors. eta vs tors. theta energy: -35.398 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: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -456.788460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.788460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.788460 (E_RNA) where: Base-Base interactions energy: -244.569 where: short stacking energy: -130.163 Base-Backbone interact. energy: 0.015 local terms energy: -212.234548 where: bonds (distance) C4'-P energy: -53.240 bonds (distance) P-C4' energy: -59.798 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -32.627 tors. eta vs tors. theta energy: -17.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -295.823995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.823995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.823995 (E_RNA) where: Base-Base interactions energy: -142.779 where: short stacking energy: -85.391 Base-Backbone interact. energy: -1.354 local terms energy: -151.691594 where: bonds (distance) C4'-P energy: -43.304 bonds (distance) P-C4' energy: -62.254 flat angles C4'-P-C4' energy: -44.115 flat angles P-C4'-P energy: -17.572 tors. eta vs tors. theta energy: 15.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1121.183905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.183905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.183905 (E_RNA) where: Base-Base interactions energy: -759.684 where: short stacking energy: -319.671 Base-Backbone interact. energy: -2.109 local terms energy: -359.391639 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -71.248 flat angles P-C4'-P energy: -53.692 tors. eta vs tors. theta energy: -94.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1099.974629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.974629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.974629 (E_RNA) where: Base-Base interactions energy: -768.386 where: short stacking energy: -321.750 Base-Backbone interact. energy: 0.363 local terms energy: -331.950770 where: bonds (distance) C4'-P energy: -65.020 bonds (distance) P-C4' energy: -58.798 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -84.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1015.860937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.860937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.860937 (E_RNA) where: Base-Base interactions energy: -684.287 where: short stacking energy: -310.567 Base-Backbone interact. energy: -0.436 local terms energy: -331.137354 where: bonds (distance) C4'-P energy: -59.290 bonds (distance) P-C4' energy: -63.482 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -90.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -997.269629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.269629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.269629 (E_RNA) where: Base-Base interactions energy: -665.654 where: short stacking energy: -297.747 Base-Backbone interact. energy: -0.552 local terms energy: -331.064512 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -57.360 flat angles C4'-P-C4' energy: -60.997 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -92.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -922.621513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.621513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.621513 (E_RNA) where: Base-Base interactions energy: -649.138 where: short stacking energy: -270.657 Base-Backbone interact. energy: -1.018 local terms energy: -272.465430 where: bonds (distance) C4'-P energy: -44.816 bonds (distance) P-C4' energy: -49.075 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -36.732 tors. eta vs tors. theta energy: -71.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -836.469473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.469473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.469473 (E_RNA) where: Base-Base interactions energy: -559.373 where: short stacking energy: -251.581 Base-Backbone interact. energy: -1.754 local terms energy: -275.342280 where: bonds (distance) C4'-P energy: -49.301 bonds (distance) P-C4' energy: -59.562 flat angles C4'-P-C4' energy: -60.612 flat angles P-C4'-P energy: -45.645 tors. eta vs tors. theta energy: -60.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -647.712606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.712606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.712606 (E_RNA) where: Base-Base interactions energy: -410.350 where: short stacking energy: -173.454 Base-Backbone interact. energy: -1.135 local terms energy: -236.227790 where: bonds (distance) C4'-P energy: -56.616 bonds (distance) P-C4' energy: -58.147 flat angles C4'-P-C4' energy: -51.934 flat angles P-C4'-P energy: -38.516 tors. eta vs tors. theta energy: -31.015 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -592.021351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.021351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.021351 (E_RNA) where: Base-Base interactions energy: -363.141 where: short stacking energy: -175.985 Base-Backbone interact. energy: 0.499 local terms energy: -229.378884 where: bonds (distance) C4'-P energy: -46.883 bonds (distance) P-C4' energy: -47.161 flat angles C4'-P-C4' energy: -55.420 flat angles P-C4'-P energy: -42.464 tors. eta vs tors. theta energy: -37.451 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: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -506.522429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.522429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.522429 (E_RNA) where: Base-Base interactions energy: -301.553 where: short stacking energy: -132.712 Base-Backbone interact. energy: -0.868 local terms energy: -204.101624 where: bonds (distance) C4'-P energy: -50.394 bonds (distance) P-C4' energy: -48.145 flat angles C4'-P-C4' energy: -54.698 flat angles P-C4'-P energy: -36.166 tors. eta vs tors. theta energy: -14.698 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: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -294.593459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.593459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.593459 (E_RNA) where: Base-Base interactions energy: -109.232 where: short stacking energy: -91.841 Base-Backbone interact. energy: 1.824 local terms energy: -187.185533 where: bonds (distance) C4'-P energy: -51.320 bonds (distance) P-C4' energy: -60.414 flat angles C4'-P-C4' energy: -47.715 flat angles P-C4'-P energy: -32.192 tors. eta vs tors. theta energy: 4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1135.928116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.928116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.928116 (E_RNA) where: Base-Base interactions energy: -781.138 where: short stacking energy: -326.851 Base-Backbone interact. energy: -2.060 local terms energy: -352.730130 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -68.290 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -49.394 tors. eta vs tors. theta energy: -99.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1097.223019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.223019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.223019 (E_RNA) where: Base-Base interactions energy: -774.521 where: short stacking energy: -316.218 Base-Backbone interact. energy: 0.328 local terms energy: -323.030717 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -68.581 flat angles P-C4'-P energy: -38.002 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1037.191655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.191655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.191655 (E_RNA) where: Base-Base interactions energy: -695.298 where: short stacking energy: -321.888 Base-Backbone interact. energy: -1.087 local terms energy: -340.806176 where: bonds (distance) C4'-P energy: -58.892 bonds (distance) P-C4' energy: -66.257 flat angles C4'-P-C4' energy: -70.526 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -96.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1005.276952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.276952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.276952 (E_RNA) where: Base-Base interactions energy: -679.892 where: short stacking energy: -309.851 Base-Backbone interact. energy: -0.998 local terms energy: -324.386464 where: bonds (distance) C4'-P energy: -54.316 bonds (distance) P-C4' energy: -64.194 flat angles C4'-P-C4' energy: -75.498 flat angles P-C4'-P energy: -31.577 tors. eta vs tors. theta energy: -98.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1007.302772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.302772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.302772 (E_RNA) where: Base-Base interactions energy: -675.919 where: short stacking energy: -296.216 Base-Backbone interact. energy: -0.700 local terms energy: -330.683719 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -59.362 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -96.133 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: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -824.078919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.078919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.078919 (E_RNA) where: Base-Base interactions energy: -547.826 where: short stacking energy: -238.428 Base-Backbone interact. energy: -0.448 local terms energy: -275.805381 where: bonds (distance) C4'-P energy: -57.513 bonds (distance) P-C4' energy: -47.506 flat angles C4'-P-C4' energy: -64.404 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -55.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -675.082902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.082902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.082902 (E_RNA) where: Base-Base interactions energy: -413.969 where: short stacking energy: -212.107 Base-Backbone interact. energy: -2.183 local terms energy: -258.930155 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -55.443 flat angles C4'-P-C4' energy: -65.533 flat angles P-C4'-P energy: -24.726 tors. eta vs tors. theta energy: -49.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -594.637647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.637647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.637647 (E_RNA) where: Base-Base interactions energy: -377.341 where: short stacking energy: -177.292 Base-Backbone interact. energy: 1.422 local terms energy: -218.719002 where: bonds (distance) C4'-P energy: -53.294 bonds (distance) P-C4' energy: -51.921 flat angles C4'-P-C4' energy: -40.616 flat angles P-C4'-P energy: -36.662 tors. eta vs tors. theta energy: -36.225 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: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -539.554193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.554193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.554193 (E_RNA) where: Base-Base interactions energy: -335.794 where: short stacking energy: -147.601 Base-Backbone interact. energy: -2.886 local terms energy: -200.874493 where: bonds (distance) C4'-P energy: -33.229 bonds (distance) P-C4' energy: -58.059 flat angles C4'-P-C4' energy: -49.251 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: -26.004 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: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -271.486923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.486923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.486923 (E_RNA) where: Base-Base interactions energy: -111.274 where: short stacking energy: -93.397 Base-Backbone interact. energy: -1.881 local terms energy: -158.331532 where: bonds (distance) C4'-P energy: -37.603 bonds (distance) P-C4' energy: -55.353 flat angles C4'-P-C4' energy: -33.812 flat angles P-C4'-P energy: -36.480 tors. eta vs tors. theta energy: 4.917 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: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1161.461613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.461613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.461613 (E_RNA) where: Base-Base interactions energy: -801.667 where: short stacking energy: -341.185 Base-Backbone interact. energy: -2.008 local terms energy: -357.786722 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -72.520 flat angles P-C4'-P energy: -47.042 tors. eta vs tors. theta energy: -105.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1097.052443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.052443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.052443 (E_RNA) where: Base-Base interactions energy: -767.416 where: short stacking energy: -304.977 Base-Backbone interact. energy: -2.471 local terms energy: -327.165618 where: bonds (distance) C4'-P energy: -61.633 bonds (distance) P-C4' energy: -56.233 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -81.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1025.571451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.571451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.571451 (E_RNA) where: Base-Base interactions energy: -685.744 where: short stacking energy: -324.711 Base-Backbone interact. energy: -2.435 local terms energy: -337.392500 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -65.700 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -94.533 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: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -998.446812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.446812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.446812 (E_RNA) where: Base-Base interactions energy: -667.032 where: short stacking energy: -290.828 Base-Backbone interact. energy: 0.745 local terms energy: -332.159903 where: bonds (distance) C4'-P energy: -58.556 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -66.927 flat angles P-C4'-P energy: -48.926 tors. eta vs tors. theta energy: -84.312 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: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -972.353637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.353637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.353637 (E_RNA) where: Base-Base interactions energy: -642.187 where: short stacking energy: -279.890 Base-Backbone interact. energy: -0.736 local terms energy: -329.430570 where: bonds (distance) C4'-P energy: -68.064 bonds (distance) P-C4' energy: -64.463 flat angles C4'-P-C4' energy: -68.961 flat angles P-C4'-P energy: -42.600 tors. eta vs tors. theta energy: -85.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -849.905118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.905118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.905118 (E_RNA) where: Base-Base interactions energy: -576.603 where: short stacking energy: -263.087 Base-Backbone interact. energy: -1.203 local terms energy: -272.098914 where: bonds (distance) C4'-P energy: -50.731 bonds (distance) P-C4' energy: -50.637 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -67.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -643.154868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.154868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.154868 (E_RNA) where: Base-Base interactions energy: -385.246 where: short stacking energy: -189.211 Base-Backbone interact. energy: 1.522 local terms energy: -259.431369 where: bonds (distance) C4'-P energy: -65.006 bonds (distance) P-C4' energy: -54.331 flat angles C4'-P-C4' energy: -55.070 flat angles P-C4'-P energy: -35.570 tors. eta vs tors. theta energy: -49.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -676.003560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.003560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.003560 (E_RNA) where: Base-Base interactions energy: -413.304 where: short stacking energy: -196.216 Base-Backbone interact. energy: -1.605 local terms energy: -261.094717 where: bonds (distance) C4'-P energy: -53.860 bonds (distance) P-C4' energy: -48.195 flat angles C4'-P-C4' energy: -59.455 flat angles P-C4'-P energy: -47.438 tors. eta vs tors. theta energy: -52.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -441.267157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.267157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.267157 (E_RNA) where: Base-Base interactions energy: -231.506 where: short stacking energy: -115.787 Base-Backbone interact. energy: -0.919 local terms energy: -208.842564 where: bonds (distance) C4'-P energy: -59.629 bonds (distance) P-C4' energy: -64.303 flat angles C4'-P-C4' energy: -48.972 flat angles P-C4'-P energy: -36.850 tors. eta vs tors. theta energy: 0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -268.887622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.887622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.887622 (E_RNA) where: Base-Base interactions energy: -87.478 where: short stacking energy: -80.041 Base-Backbone interact. energy: 1.837 local terms energy: -183.246487 where: bonds (distance) C4'-P energy: -56.481 bonds (distance) P-C4' energy: -48.101 flat angles C4'-P-C4' energy: -43.883 flat angles P-C4'-P energy: -37.476 tors. eta vs tors. theta energy: 2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1133.852711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.852711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.852711 (E_RNA) where: Base-Base interactions energy: -816.097 where: short stacking energy: -339.286 Base-Backbone interact. energy: 3.062 local terms energy: -320.818324 where: bonds (distance) C4'-P energy: -63.670 bonds (distance) P-C4' energy: -55.950 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -89.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1088.811349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.811349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.811349 (E_RNA) where: Base-Base interactions energy: -749.362 where: short stacking energy: -315.683 Base-Backbone interact. energy: -1.189 local terms energy: -338.259667 where: bonds (distance) C4'-P energy: -62.828 bonds (distance) P-C4' energy: -65.148 flat angles C4'-P-C4' energy: -66.800 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -92.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1036.443823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.443823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.443823 (E_RNA) where: Base-Base interactions energy: -703.371 where: short stacking energy: -324.486 Base-Backbone interact. energy: 1.021 local terms energy: -334.093763 where: bonds (distance) C4'-P energy: -39.779 bonds (distance) P-C4' energy: -57.813 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -104.119 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: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -974.112203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.112203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.112203 (E_RNA) where: Base-Base interactions energy: -688.163 where: short stacking energy: -299.484 Base-Backbone interact. energy: -0.637 local terms energy: -285.311511 where: bonds (distance) C4'-P energy: -57.975 bonds (distance) P-C4' energy: -44.004 flat angles C4'-P-C4' energy: -62.912 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -77.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -946.792615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.792615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.792615 (E_RNA) where: Base-Base interactions energy: -650.483 where: short stacking energy: -271.650 Base-Backbone interact. energy: 1.758 local terms energy: -298.067861 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -54.710 flat angles C4'-P-C4' energy: -68.606 flat angles P-C4'-P energy: -44.515 tors. eta vs tors. theta energy: -76.040 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: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -808.171161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.171161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.171161 (E_RNA) where: Base-Base interactions energy: -541.652 where: short stacking energy: -233.208 Base-Backbone interact. energy: -2.070 local terms energy: -264.449171 where: bonds (distance) C4'-P energy: -53.713 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -60.828 flat angles P-C4'-P energy: -38.444 tors. eta vs tors. theta energy: -53.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -609.149871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.149871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.149871 (E_RNA) where: Base-Base interactions energy: -367.785 where: short stacking energy: -196.633 Base-Backbone interact. energy: -0.603 local terms energy: -240.762202 where: bonds (distance) C4'-P energy: -51.859 bonds (distance) P-C4' energy: -60.433 flat angles C4'-P-C4' energy: -62.446 flat angles P-C4'-P energy: -29.498 tors. eta vs tors. theta energy: -36.527 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -638.635562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.635562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.635562 (E_RNA) where: Base-Base interactions energy: -391.415 where: short stacking energy: -175.325 Base-Backbone interact. energy: 0.549 local terms energy: -247.769707 where: bonds (distance) C4'-P energy: -53.670 bonds (distance) P-C4' energy: -57.752 flat angles C4'-P-C4' energy: -54.636 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: -46.167 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -447.925312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.925312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.925312 (E_RNA) where: Base-Base interactions energy: -259.232 where: short stacking energy: -134.982 Base-Backbone interact. energy: -2.240 local terms energy: -186.452775 where: bonds (distance) C4'-P energy: -41.920 bonds (distance) P-C4' energy: -60.675 flat angles C4'-P-C4' energy: -43.463 flat angles P-C4'-P energy: -26.057 tors. eta vs tors. theta energy: -14.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -329.321614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.321614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.321614 (E_RNA) where: Base-Base interactions energy: -153.735 where: short stacking energy: -91.090 Base-Backbone interact. energy: -1.126 local terms energy: -174.460412 where: bonds (distance) C4'-P energy: -48.053 bonds (distance) P-C4' energy: -56.188 flat angles C4'-P-C4' energy: -33.739 flat angles P-C4'-P energy: -45.016 tors. eta vs tors. theta energy: 8.536 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: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1139.013482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.013482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.013482 (E_RNA) where: Base-Base interactions energy: -795.063 where: short stacking energy: -337.165 Base-Backbone interact. energy: 3.663 local terms energy: -347.613984 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -96.905 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: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1103.392697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.392697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.392697 (E_RNA) where: Base-Base interactions energy: -780.186 where: short stacking energy: -318.784 Base-Backbone interact. energy: -2.146 local terms energy: -321.061097 where: bonds (distance) C4'-P energy: -50.779 bonds (distance) P-C4' energy: -68.154 flat angles C4'-P-C4' energy: -67.878 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -88.237 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1035.399440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.399440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.399440 (E_RNA) where: Base-Base interactions energy: -703.363 where: short stacking energy: -326.664 Base-Backbone interact. energy: -1.718 local terms energy: -330.318295 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -67.935 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -93.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -978.917420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.917420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.917420 (E_RNA) where: Base-Base interactions energy: -659.699 where: short stacking energy: -279.153 Base-Backbone interact. energy: -1.225 local terms energy: -317.993763 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -58.549 flat angles C4'-P-C4' energy: -71.112 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: -77.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -937.785978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.785978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.785978 (E_RNA) where: Base-Base interactions energy: -647.864 where: short stacking energy: -271.188 Base-Backbone interact. energy: -0.223 local terms energy: -289.698759 where: bonds (distance) C4'-P energy: -46.078 bonds (distance) P-C4' energy: -55.779 flat angles C4'-P-C4' energy: -62.946 flat angles P-C4'-P energy: -45.367 tors. eta vs tors. theta energy: -79.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -824.567170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.567170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.567170 (E_RNA) where: Base-Base interactions energy: -550.063 where: short stacking energy: -247.901 Base-Backbone interact. energy: -0.753 local terms energy: -273.750685 where: bonds (distance) C4'-P energy: -53.549 bonds (distance) P-C4' energy: -53.665 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -63.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -595.807124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.807124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.807124 (E_RNA) where: Base-Base interactions energy: -359.399 where: short stacking energy: -194.382 Base-Backbone interact. energy: -1.704 local terms energy: -234.704081 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -57.645 flat angles P-C4'-P energy: -27.881 tors. eta vs tors. theta energy: -28.483 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: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -625.345219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.345219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.345219 (E_RNA) where: Base-Base interactions energy: -381.936 where: short stacking energy: -188.484 Base-Backbone interact. energy: -0.819 local terms energy: -242.589935 where: bonds (distance) C4'-P energy: -60.639 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -54.756 flat angles P-C4'-P energy: -31.812 tors. eta vs tors. theta energy: -37.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -455.531124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.531124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.531124 (E_RNA) where: Base-Base interactions energy: -254.326 where: short stacking energy: -127.308 Base-Backbone interact. energy: -4.333 local terms energy: -196.872502 where: bonds (distance) C4'-P energy: -57.172 bonds (distance) P-C4' energy: -53.479 flat angles C4'-P-C4' energy: -43.306 flat angles P-C4'-P energy: -36.827 tors. eta vs tors. theta energy: -6.089 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: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -269.090429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.090429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.090429 (E_RNA) where: Base-Base interactions energy: -91.653 where: short stacking energy: -81.036 Base-Backbone interact. energy: 0.964 local terms energy: -178.401548 where: bonds (distance) C4'-P energy: -49.201 bonds (distance) P-C4' energy: -63.892 flat angles C4'-P-C4' energy: -33.129 flat angles P-C4'-P energy: -24.939 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1135.608875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.608875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.608875 (E_RNA) where: Base-Base interactions energy: -796.218 where: short stacking energy: -340.729 Base-Backbone interact. energy: -2.238 local terms energy: -337.152216 where: bonds (distance) C4'-P energy: -59.679 bonds (distance) P-C4' energy: -71.408 flat angles C4'-P-C4' energy: -69.224 flat angles P-C4'-P energy: -42.051 tors. eta vs tors. theta energy: -94.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1106.010248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.010248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.010248 (E_RNA) where: Base-Base interactions energy: -752.430 where: short stacking energy: -323.012 Base-Backbone interact. energy: -1.829 local terms energy: -351.750990 where: bonds (distance) C4'-P energy: -65.938 bonds (distance) P-C4' energy: -66.545 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -94.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1031.670768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.670768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.670768 (E_RNA) where: Base-Base interactions energy: -692.791 where: short stacking energy: -318.602 Base-Backbone interact. energy: -0.805 local terms energy: -338.074461 where: bonds (distance) C4'-P energy: -58.618 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -68.162 flat angles P-C4'-P energy: -43.459 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: 321 Temperature: 1.050000 Total energy: -988.392128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.392128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.392128 (E_RNA) where: Base-Base interactions energy: -651.787 where: short stacking energy: -286.962 Base-Backbone interact. energy: -0.978 local terms energy: -335.627087 where: bonds (distance) C4'-P energy: -68.957 bonds (distance) P-C4' energy: -59.014 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -47.380 tors. eta vs tors. theta energy: -85.806 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: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -961.339314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.339314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.339314 (E_RNA) where: Base-Base interactions energy: -646.924 where: short stacking energy: -283.128 Base-Backbone interact. energy: -0.676 local terms energy: -313.739309 where: bonds (distance) C4'-P energy: -53.982 bonds (distance) P-C4' energy: -65.615 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -45.680 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: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -834.904648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.904648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.904648 (E_RNA) where: Base-Base interactions energy: -559.608 where: short stacking energy: -267.560 Base-Backbone interact. energy: -0.858 local terms energy: -274.438861 where: bonds (distance) C4'-P energy: -51.712 bonds (distance) P-C4' energy: -55.680 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -33.426 tors. eta vs tors. theta energy: -69.825 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: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -629.261638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.261638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.261638 (E_RNA) where: Base-Base interactions energy: -405.664 where: short stacking energy: -183.414 Base-Backbone interact. energy: 0.186 local terms energy: -223.783264 where: bonds (distance) C4'-P energy: -47.673 bonds (distance) P-C4' energy: -54.846 flat angles C4'-P-C4' energy: -53.407 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -29.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -651.324493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.324493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.324493 (E_RNA) where: Base-Base interactions energy: -420.479 where: short stacking energy: -208.073 Base-Backbone interact. energy: -0.315 local terms energy: -230.530991 where: bonds (distance) C4'-P energy: -49.437 bonds (distance) P-C4' energy: -49.313 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -38.843 tors. eta vs tors. theta energy: -37.765 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: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -442.868384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.868384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.868384 (E_RNA) where: Base-Base interactions energy: -261.066 where: short stacking energy: -124.650 Base-Backbone interact. energy: -0.093 local terms energy: -181.709617 where: bonds (distance) C4'-P energy: -39.213 bonds (distance) P-C4' energy: -51.260 flat angles C4'-P-C4' energy: -46.556 flat angles P-C4'-P energy: -26.923 tors. eta vs tors. theta energy: -17.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -267.004903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.004903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.004903 (E_RNA) where: Base-Base interactions energy: -93.595 where: short stacking energy: -73.560 Base-Backbone interact. energy: -1.238 local terms energy: -172.171716 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -64.204 flat angles C4'-P-C4' energy: -43.363 flat angles P-C4'-P energy: -19.319 tors. eta vs tors. theta energy: 9.445 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: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1131.924333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.924333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.924333 (E_RNA) where: Base-Base interactions energy: -798.705 where: short stacking energy: -340.681 Base-Backbone interact. energy: -0.733 local terms energy: -332.486950 where: bonds (distance) C4'-P energy: -64.185 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -74.555 flat angles P-C4'-P energy: -44.617 tors. eta vs tors. theta energy: -86.006 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: 322 Temperature: 0.950000 Total energy: -1082.275090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.275090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.275090 (E_RNA) where: Base-Base interactions energy: -746.415 where: short stacking energy: -315.931 Base-Backbone interact. energy: 1.024 local terms energy: -336.883683 where: bonds (distance) C4'-P energy: -55.897 bonds (distance) P-C4' energy: -72.705 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: -94.870 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: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1042.029028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.029028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.029028 (E_RNA) where: Base-Base interactions energy: -705.944 where: short stacking energy: -315.766 Base-Backbone interact. energy: 1.155 local terms energy: -337.239824 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -67.930 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -94.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -986.641957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.641957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.641957 (E_RNA) where: Base-Base interactions energy: -668.310 where: short stacking energy: -296.478 Base-Backbone interact. energy: -0.350 local terms energy: -317.981529 where: bonds (distance) C4'-P energy: -60.787 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -68.423 flat angles P-C4'-P energy: -39.161 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: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -945.611802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.611802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.611802 (E_RNA) where: Base-Base interactions energy: -647.191 where: short stacking energy: -264.779 Base-Backbone interact. energy: -1.675 local terms energy: -296.745436 where: bonds (distance) C4'-P energy: -49.951 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -67.590 flat angles P-C4'-P energy: -42.590 tors. eta vs tors. theta energy: -76.661 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -797.707564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.707564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.707564 (E_RNA) where: Base-Base interactions energy: -521.068 where: short stacking energy: -226.678 Base-Backbone interact. energy: -1.222 local terms energy: -275.417238 where: bonds (distance) C4'-P energy: -49.176 bonds (distance) P-C4' energy: -65.242 flat angles C4'-P-C4' energy: -67.643 flat angles P-C4'-P energy: -35.236 tors. eta vs tors. theta energy: -58.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -707.850163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.850163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.850163 (E_RNA) where: Base-Base interactions energy: -457.977 where: short stacking energy: -189.690 Base-Backbone interact. energy: -1.014 local terms energy: -248.859101 where: bonds (distance) C4'-P energy: -54.486 bonds (distance) P-C4' energy: -56.431 flat angles C4'-P-C4' energy: -52.329 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -40.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -590.254420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.254420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.254420 (E_RNA) where: Base-Base interactions energy: -351.062 where: short stacking energy: -160.637 Base-Backbone interact. energy: 2.710 local terms energy: -241.901843 where: bonds (distance) C4'-P energy: -51.194 bonds (distance) P-C4' energy: -60.266 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -45.064 tors. eta vs tors. theta energy: -31.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -446.848894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.848894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.848894 (E_RNA) where: Base-Base interactions energy: -268.051 where: short stacking energy: -134.112 Base-Backbone interact. energy: -0.317 local terms energy: -178.479960 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -48.762 flat angles C4'-P-C4' energy: -42.424 flat angles P-C4'-P energy: -26.167 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -281.216739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.216739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.216739 (E_RNA) where: Base-Base interactions energy: -88.145 where: short stacking energy: -77.575 Base-Backbone interact. energy: -0.684 local terms energy: -192.387338 where: bonds (distance) C4'-P energy: -58.636 bonds (distance) P-C4' energy: -56.807 flat angles C4'-P-C4' energy: -47.889 flat angles P-C4'-P energy: -31.550 tors. eta vs tors. theta energy: 2.495 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: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1113.584746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.584746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.584746 (E_RNA) where: Base-Base interactions energy: -765.235 where: short stacking energy: -323.752 Base-Backbone interact. energy: -2.018 local terms energy: -346.332344 where: bonds (distance) C4'-P energy: -50.988 bonds (distance) P-C4' energy: -61.233 flat angles C4'-P-C4' energy: -80.367 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -95.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1055.728713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.728713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.728713 (E_RNA) where: Base-Base interactions energy: -709.784 where: short stacking energy: -309.834 Base-Backbone interact. energy: -1.718 local terms energy: -344.226900 where: bonds (distance) C4'-P energy: -66.130 bonds (distance) P-C4' energy: -65.729 flat angles C4'-P-C4' energy: -72.717 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -91.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1084.044097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.044097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.044097 (E_RNA) where: Base-Base interactions energy: -742.421 where: short stacking energy: -305.135 Base-Backbone interact. energy: 3.260 local terms energy: -344.882428 where: bonds (distance) C4'-P energy: -65.642 bonds (distance) P-C4' energy: -62.793 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -48.518 tors. eta vs tors. theta energy: -92.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -974.444802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.444802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.444802 (E_RNA) where: Base-Base interactions energy: -678.606 where: short stacking energy: -280.316 Base-Backbone interact. energy: -1.252 local terms energy: -294.586373 where: bonds (distance) C4'-P energy: -50.370 bonds (distance) P-C4' energy: -54.691 flat angles C4'-P-C4' energy: -65.501 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -82.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -929.346763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.346763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.346763 (E_RNA) where: Base-Base interactions energy: -632.830 where: short stacking energy: -261.760 Base-Backbone interact. energy: 0.225 local terms energy: -296.741353 where: bonds (distance) C4'-P energy: -55.415 bonds (distance) P-C4' energy: -58.350 flat angles C4'-P-C4' energy: -69.900 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -72.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -820.058632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.058632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.058632 (E_RNA) where: Base-Base interactions energy: -534.188 where: short stacking energy: -247.271 Base-Backbone interact. energy: -0.818 local terms energy: -285.052593 where: bonds (distance) C4'-P energy: -58.036 bonds (distance) P-C4' energy: -59.895 flat angles C4'-P-C4' energy: -67.578 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -59.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -732.890926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.890926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.890926 (E_RNA) where: Base-Base interactions energy: -481.138 where: short stacking energy: -208.455 Base-Backbone interact. energy: 3.514 local terms energy: -255.267452 where: bonds (distance) C4'-P energy: -44.469 bonds (distance) P-C4' energy: -52.421 flat angles C4'-P-C4' energy: -59.190 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -49.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -594.604992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.604992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.604992 (E_RNA) where: Base-Base interactions energy: -363.885 where: short stacking energy: -170.247 Base-Backbone interact. energy: 1.765 local terms energy: -232.484755 where: bonds (distance) C4'-P energy: -43.248 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -53.883 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -41.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -429.156393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.156393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.156393 (E_RNA) where: Base-Base interactions energy: -230.103 where: short stacking energy: -122.006 Base-Backbone interact. energy: -0.620 local terms energy: -198.434288 where: bonds (distance) C4'-P energy: -48.291 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -47.752 flat angles P-C4'-P energy: -32.302 tors. eta vs tors. theta energy: -3.869 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: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -266.352346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.352346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.352346 (E_RNA) where: Base-Base interactions energy: -87.526 where: short stacking energy: -73.663 Base-Backbone interact. energy: 1.614 local terms energy: -180.440427 where: bonds (distance) C4'-P energy: -50.509 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -51.784 flat angles P-C4'-P energy: -16.516 tors. eta vs tors. theta energy: 8.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1144.461268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.461268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.461268 (E_RNA) where: Base-Base interactions energy: -791.911 where: short stacking energy: -339.698 Base-Backbone interact. energy: -0.058 local terms energy: -352.491776 where: bonds (distance) C4'-P energy: -67.171 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -73.614 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -94.664 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: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1048.277201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.277201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.277201 (E_RNA) where: Base-Base interactions energy: -711.684 where: short stacking energy: -315.599 Base-Backbone interact. energy: -1.784 local terms energy: -334.808591 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -95.513 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: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1097.078768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.078768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.078768 (E_RNA) where: Base-Base interactions energy: -752.363 where: short stacking energy: -318.037 Base-Backbone interact. energy: -0.293 local terms energy: -344.423451 where: bonds (distance) C4'-P energy: -64.983 bonds (distance) P-C4' energy: -65.355 flat angles C4'-P-C4' energy: -71.507 flat angles P-C4'-P energy: -53.407 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: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -982.262938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.262938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.262938 (E_RNA) where: Base-Base interactions energy: -668.971 where: short stacking energy: -292.840 Base-Backbone interact. energy: 0.618 local terms energy: -313.909495 where: bonds (distance) C4'-P energy: -55.551 bonds (distance) P-C4' energy: -67.601 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -48.642 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: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -961.934356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.934356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.934356 (E_RNA) where: Base-Base interactions energy: -667.450 where: short stacking energy: -281.876 Base-Backbone interact. energy: -0.310 local terms energy: -294.174746 where: bonds (distance) C4'-P energy: -52.209 bonds (distance) P-C4' energy: -49.528 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -77.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -817.702968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.702968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.702968 (E_RNA) where: Base-Base interactions energy: -536.424 where: short stacking energy: -251.629 Base-Backbone interact. energy: 1.844 local terms energy: -283.122851 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -61.823 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -63.881 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: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -754.276762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.276762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.276762 (E_RNA) where: Base-Base interactions energy: -494.863 where: short stacking energy: -223.921 Base-Backbone interact. energy: -1.581 local terms energy: -257.832433 where: bonds (distance) C4'-P energy: -59.556 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -48.610 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: -52.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -612.530412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.530412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.530412 (E_RNA) where: Base-Base interactions energy: -391.322 where: short stacking energy: -184.845 Base-Backbone interact. energy: 0.036 local terms energy: -221.244787 where: bonds (distance) C4'-P energy: -45.995 bonds (distance) P-C4' energy: -58.151 flat angles C4'-P-C4' energy: -52.692 flat angles P-C4'-P energy: -30.367 tors. eta vs tors. theta energy: -34.040 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: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -422.771188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.771188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.771188 (E_RNA) where: Base-Base interactions energy: -216.234 where: short stacking energy: -118.439 Base-Backbone interact. energy: -0.126 local terms energy: -206.411284 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -50.588 flat angles C4'-P-C4' energy: -52.753 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -278.734914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.734914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.734914 (E_RNA) where: Base-Base interactions energy: -96.993 where: short stacking energy: -84.591 Base-Backbone interact. energy: 1.540 local terms energy: -183.281959 where: bonds (distance) C4'-P energy: -40.610 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -55.019 flat angles P-C4'-P energy: -31.702 tors. eta vs tors. theta energy: 8.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1135.237612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.237612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.237612 (E_RNA) where: Base-Base interactions energy: -778.978 where: short stacking energy: -308.981 Base-Backbone interact. energy: 0.944 local terms energy: -357.203181 where: bonds (distance) C4'-P energy: -60.461 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -71.435 flat angles P-C4'-P energy: -51.418 tors. eta vs tors. theta energy: -100.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1090.196872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.196872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.196872 (E_RNA) where: Base-Base interactions energy: -758.247 where: short stacking energy: -302.864 Base-Backbone interact. energy: -1.397 local terms energy: -330.553493 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -68.865 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: -88.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1027.632009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.632009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.632009 (E_RNA) where: Base-Base interactions energy: -690.050 where: short stacking energy: -314.468 Base-Backbone interact. energy: -1.370 local terms energy: -336.212595 where: bonds (distance) C4'-P energy: -61.414 bonds (distance) P-C4' energy: -56.923 flat angles C4'-P-C4' energy: -67.658 flat angles P-C4'-P energy: -52.383 tors. eta vs tors. theta energy: -97.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -982.005135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.005135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.005135 (E_RNA) where: Base-Base interactions energy: -664.263 where: short stacking energy: -277.692 Base-Backbone interact. energy: 2.098 local terms energy: -319.840182 where: bonds (distance) C4'-P energy: -61.968 bonds (distance) P-C4' energy: -63.472 flat angles C4'-P-C4' energy: -71.426 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -78.025 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: 325 Temperature: 1.100000 Total energy: -941.834401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.834401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.834401 (E_RNA) where: Base-Base interactions energy: -637.748 where: short stacking energy: -259.543 Base-Backbone interact. energy: -0.915 local terms energy: -303.172170 where: bonds (distance) C4'-P energy: -65.485 bonds (distance) P-C4' energy: -57.490 flat angles C4'-P-C4' energy: -72.213 flat angles P-C4'-P energy: -39.923 tors. eta vs tors. theta energy: -68.062 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: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -801.975980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.975980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.975980 (E_RNA) where: Base-Base interactions energy: -535.399 where: short stacking energy: -242.689 Base-Backbone interact. energy: -0.156 local terms energy: -266.421387 where: bonds (distance) C4'-P energy: -53.294 bonds (distance) P-C4' energy: -57.177 flat angles C4'-P-C4' energy: -53.310 flat angles P-C4'-P energy: -43.727 tors. eta vs tors. theta energy: -58.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -707.062001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.062001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.062001 (E_RNA) where: Base-Base interactions energy: -450.330 where: short stacking energy: -216.033 Base-Backbone interact. energy: -1.059 local terms energy: -255.673045 where: bonds (distance) C4'-P energy: -47.117 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -58.199 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: -54.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -576.793893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.793893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.793893 (E_RNA) where: Base-Base interactions energy: -345.198 where: short stacking energy: -168.408 Base-Backbone interact. energy: -1.817 local terms energy: -229.778778 where: bonds (distance) C4'-P energy: -49.502 bonds (distance) P-C4' energy: -58.561 flat angles C4'-P-C4' energy: -57.771 flat angles P-C4'-P energy: -37.474 tors. eta vs tors. theta energy: -26.472 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: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -374.908795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.908795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.908795 (E_RNA) where: Base-Base interactions energy: -181.377 where: short stacking energy: -112.364 Base-Backbone interact. energy: -1.419 local terms energy: -192.113194 where: bonds (distance) C4'-P energy: -49.085 bonds (distance) P-C4' energy: -59.115 flat angles C4'-P-C4' energy: -49.440 flat angles P-C4'-P energy: -26.253 tors. eta vs tors. theta energy: -8.219 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: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -274.542444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.542444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.542444 (E_RNA) where: Base-Base interactions energy: -83.283 where: short stacking energy: -66.649 Base-Backbone interact. energy: 2.194 local terms energy: -193.453274 where: bonds (distance) C4'-P energy: -51.315 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -57.265 flat angles P-C4'-P energy: -31.670 tors. eta vs tors. theta energy: 3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1121.754449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.754449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.754449 (E_RNA) where: Base-Base interactions energy: -778.791 where: short stacking energy: -314.103 Base-Backbone interact. energy: 0.104 local terms energy: -343.067558 where: bonds (distance) C4'-P energy: -72.284 bonds (distance) P-C4' energy: -56.857 flat angles C4'-P-C4' energy: -68.700 flat angles P-C4'-P energy: -48.905 tors. eta vs tors. theta energy: -96.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1089.504069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.504069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.504069 (E_RNA) where: Base-Base interactions energy: -746.308 where: short stacking energy: -308.795 Base-Backbone interact. energy: -1.551 local terms energy: -341.644382 where: bonds (distance) C4'-P energy: -66.866 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -76.806 flat angles P-C4'-P energy: -44.040 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: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1033.651308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.651308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.651308 (E_RNA) where: Base-Base interactions energy: -695.650 where: short stacking energy: -310.101 Base-Backbone interact. energy: -1.935 local terms energy: -336.065777 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -70.615 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -47.876 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: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1025.664275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.664275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.664275 (E_RNA) where: Base-Base interactions energy: -688.207 where: short stacking energy: -292.120 Base-Backbone interact. energy: -0.724 local terms energy: -336.732631 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -60.933 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -46.900 tors. eta vs tors. theta energy: -98.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -927.816567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.816567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.816567 (E_RNA) where: Base-Base interactions energy: -625.226 where: short stacking energy: -274.181 Base-Backbone interact. energy: -0.206 local terms energy: -302.384543 where: bonds (distance) C4'-P energy: -46.921 bonds (distance) P-C4' energy: -66.283 flat angles C4'-P-C4' energy: -66.196 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -74.633 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: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -818.872564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.872564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.872564 (E_RNA) where: Base-Base interactions energy: -546.151 where: short stacking energy: -229.127 Base-Backbone interact. energy: 0.458 local terms energy: -273.178999 where: bonds (distance) C4'-P energy: -46.437 bonds (distance) P-C4' energy: -54.798 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -50.393 tors. eta vs tors. theta energy: -59.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -624.222315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.222315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.222315 (E_RNA) where: Base-Base interactions energy: -386.530 where: short stacking energy: -201.263 Base-Backbone interact. energy: -2.221 local terms energy: -235.471130 where: bonds (distance) C4'-P energy: -52.894 bonds (distance) P-C4' energy: -50.470 flat angles C4'-P-C4' energy: -60.653 flat angles P-C4'-P energy: -30.777 tors. eta vs tors. theta energy: -40.677 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: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -652.099012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.099012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.099012 (E_RNA) where: Base-Base interactions energy: -413.178 where: short stacking energy: -170.323 Base-Backbone interact. energy: -0.216 local terms energy: -238.704461 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -50.973 flat angles C4'-P-C4' energy: -58.926 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: -32.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -366.587178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.587178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.587178 (E_RNA) where: Base-Base interactions energy: -198.724 where: short stacking energy: -94.318 Base-Backbone interact. energy: 1.465 local terms energy: -169.328039 where: bonds (distance) C4'-P energy: -50.611 bonds (distance) P-C4' energy: -48.922 flat angles C4'-P-C4' energy: -43.167 flat angles P-C4'-P energy: -27.120 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -261.406720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.406720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.406720 (E_RNA) where: Base-Base interactions energy: -92.535 where: short stacking energy: -71.454 Base-Backbone interact. energy: -0.548 local terms energy: -168.323821 where: bonds (distance) C4'-P energy: -46.534 bonds (distance) P-C4' energy: -63.710 flat angles C4'-P-C4' energy: -47.630 flat angles P-C4'-P energy: -27.766 tors. eta vs tors. theta energy: 17.316 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1121.508968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.508968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.508968 (E_RNA) where: Base-Base interactions energy: -765.800 where: short stacking energy: -311.396 Base-Backbone interact. energy: -1.706 local terms energy: -354.003514 where: bonds (distance) C4'-P energy: -67.496 bonds (distance) P-C4' energy: -68.633 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -52.080 tors. eta vs tors. theta energy: -95.380 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: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1084.711249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.711249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.711249 (E_RNA) where: Base-Base interactions energy: -746.996 where: short stacking energy: -305.390 Base-Backbone interact. energy: 0.428 local terms energy: -338.143571 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -67.148 flat angles C4'-P-C4' energy: -63.607 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -94.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1046.029252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.029252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.029252 (E_RNA) where: Base-Base interactions energy: -714.718 where: short stacking energy: -311.621 Base-Backbone interact. energy: -1.412 local terms energy: -329.899477 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -55.969 flat angles C4'-P-C4' energy: -68.659 flat angles P-C4'-P energy: -49.533 tors. eta vs tors. theta energy: -92.759 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: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1025.519388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.519388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.519388 (E_RNA) where: Base-Base interactions energy: -698.344 where: short stacking energy: -286.990 Base-Backbone interact. energy: -1.120 local terms energy: -326.055253 where: bonds (distance) C4'-P energy: -68.928 bonds (distance) P-C4' energy: -57.714 flat angles C4'-P-C4' energy: -66.952 flat angles P-C4'-P energy: -44.566 tors. eta vs tors. theta energy: -87.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -929.756577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.756577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.756577 (E_RNA) where: Base-Base interactions energy: -622.621 where: short stacking energy: -276.427 Base-Backbone interact. energy: -0.912 local terms energy: -306.222906 where: bonds (distance) C4'-P energy: -55.599 bonds (distance) P-C4' energy: -56.323 flat angles C4'-P-C4' energy: -60.834 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -82.131 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: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -809.009069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.009069 (E_RNA) where: Base-Base interactions energy: -532.315 where: short stacking energy: -226.885 Base-Backbone interact. energy: -1.485 local terms energy: -275.208708 where: bonds (distance) C4'-P energy: -66.414 bonds (distance) P-C4' energy: -64.328 flat angles C4'-P-C4' energy: -53.131 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: -50.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -650.553354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.553354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.553354 (E_RNA) where: Base-Base interactions energy: -404.641 where: short stacking energy: -198.349 Base-Backbone interact. energy: 0.302 local terms energy: -246.214658 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -63.139 flat angles C4'-P-C4' energy: -55.270 flat angles P-C4'-P energy: -38.771 tors. eta vs tors. theta energy: -33.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -650.278345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.278345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.278345 (E_RNA) where: Base-Base interactions energy: -404.705 where: short stacking energy: -199.670 Base-Backbone interact. energy: 1.750 local terms energy: -247.323072 where: bonds (distance) C4'-P energy: -49.218 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -30.768 tors. eta vs tors. theta energy: -49.691 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: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -361.153432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.153432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.153432 (E_RNA) where: Base-Base interactions energy: -175.246 where: short stacking energy: -118.851 Base-Backbone interact. energy: -0.297 local terms energy: -185.610400 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -50.306 flat angles C4'-P-C4' energy: -43.338 flat angles P-C4'-P energy: -33.180 tors. eta vs tors. theta energy: 1.682 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: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -285.711621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.711621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.711621 (E_RNA) where: Base-Base interactions energy: -116.048 where: short stacking energy: -77.915 Base-Backbone interact. energy: 1.798 local terms energy: -171.461595 where: bonds (distance) C4'-P energy: -42.464 bonds (distance) P-C4' energy: -57.995 flat angles C4'-P-C4' energy: -48.653 flat angles P-C4'-P energy: -30.444 tors. eta vs tors. theta energy: 8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1143.944781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.944781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.944781 (E_RNA) where: Base-Base interactions energy: -791.079 where: short stacking energy: -332.960 Base-Backbone interact. energy: 1.267 local terms energy: -354.132476 where: bonds (distance) C4'-P energy: -69.319 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -73.544 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -102.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1103.709822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.709822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.709822 (E_RNA) where: Base-Base interactions energy: -758.270 where: short stacking energy: -313.611 Base-Backbone interact. energy: -1.750 local terms energy: -343.690311 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -74.530 flat angles C4'-P-C4' energy: -75.053 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -89.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1035.990504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.990504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.990504 (E_RNA) where: Base-Base interactions energy: -718.782 where: short stacking energy: -306.660 Base-Backbone interact. energy: -0.080 local terms energy: -317.128620 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -61.188 flat angles C4'-P-C4' energy: -67.830 flat angles P-C4'-P energy: -44.823 tors. eta vs tors. theta energy: -89.529 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: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -995.116763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.116763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.116763 (E_RNA) where: Base-Base interactions energy: -681.378 where: short stacking energy: -308.017 Base-Backbone interact. energy: 4.123 local terms energy: -317.861980 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -86.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -951.000066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.000066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.000066 (E_RNA) where: Base-Base interactions energy: -642.467 where: short stacking energy: -289.630 Base-Backbone interact. energy: -1.850 local terms energy: -306.683287 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -58.818 flat angles C4'-P-C4' energy: -56.814 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -85.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -812.640951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.640951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.640951 (E_RNA) where: Base-Base interactions energy: -547.974 where: short stacking energy: -230.128 Base-Backbone interact. energy: -1.583 local terms energy: -263.084680 where: bonds (distance) C4'-P energy: -40.304 bonds (distance) P-C4' energy: -58.145 flat angles C4'-P-C4' energy: -68.842 flat angles P-C4'-P energy: -34.799 tors. eta vs tors. theta energy: -60.995 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: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -677.548182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.548182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.548182 (E_RNA) where: Base-Base interactions energy: -438.359 where: short stacking energy: -193.835 Base-Backbone interact. energy: -0.432 local terms energy: -238.757688 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -51.186 flat angles C4'-P-C4' energy: -66.330 flat angles P-C4'-P energy: -22.887 tors. eta vs tors. theta energy: -40.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -593.705155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.705155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.705155 (E_RNA) where: Base-Base interactions energy: -370.116 where: short stacking energy: -174.880 Base-Backbone interact. energy: -2.168 local terms energy: -221.420962 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -49.356 flat angles C4'-P-C4' energy: -62.338 flat angles P-C4'-P energy: -27.602 tors. eta vs tors. theta energy: -24.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -330.844277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.844277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.844277 (E_RNA) where: Base-Base interactions energy: -145.123 where: short stacking energy: -89.490 Base-Backbone interact. energy: -1.558 local terms energy: -184.163500 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -55.006 flat angles C4'-P-C4' energy: -42.310 flat angles P-C4'-P energy: -36.895 tors. eta vs tors. theta energy: 9.587 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: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -302.414243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.414243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.414243 (E_RNA) where: Base-Base interactions energy: -115.251 where: short stacking energy: -90.940 Base-Backbone interact. energy: -1.006 local terms energy: -186.156556 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -50.324 flat angles C4'-P-C4' energy: -54.736 flat angles P-C4'-P energy: -23.952 tors. eta vs tors. theta energy: -1.197 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: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1124.025195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.025195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.025195 (E_RNA) where: Base-Base interactions energy: -787.687 where: short stacking energy: -323.105 Base-Backbone interact. energy: -0.100 local terms energy: -336.238443 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -65.878 flat angles C4'-P-C4' energy: -71.872 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -91.217 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: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1092.186561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.186561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.186561 (E_RNA) where: Base-Base interactions energy: -753.853 where: short stacking energy: -312.478 Base-Backbone interact. energy: -0.188 local terms energy: -338.145202 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -53.928 flat angles C4'-P-C4' energy: -73.697 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: -91.973 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: 8 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1025.933801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.933801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.933801 (E_RNA) where: Base-Base interactions energy: -708.356 where: short stacking energy: -296.890 Base-Backbone interact. energy: -1.162 local terms energy: -316.415713 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -65.046 flat angles C4'-P-C4' energy: -69.155 flat angles P-C4'-P energy: -41.856 tors. eta vs tors. theta energy: -81.120 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: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1013.764195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.764195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.764195 (E_RNA) where: Base-Base interactions energy: -683.061 where: short stacking energy: -302.657 Base-Backbone interact. energy: -1.965 local terms energy: -328.738329 where: bonds (distance) C4'-P energy: -62.275 bonds (distance) P-C4' energy: -64.373 flat angles C4'-P-C4' energy: -70.931 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -87.436 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: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -937.495341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.495341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.495341 (E_RNA) where: Base-Base interactions energy: -618.073 where: short stacking energy: -276.922 Base-Backbone interact. energy: -0.378 local terms energy: -319.044519 where: bonds (distance) C4'-P energy: -63.224 bonds (distance) P-C4' energy: -63.868 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -51.006 tors. eta vs tors. theta energy: -72.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -811.643004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.643004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.643004 (E_RNA) where: Base-Base interactions energy: -538.080 where: short stacking energy: -242.148 Base-Backbone interact. energy: -1.391 local terms energy: -272.172072 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -56.300 flat angles C4'-P-C4' energy: -60.556 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -54.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -682.302878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.302878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.302878 (E_RNA) where: Base-Base interactions energy: -446.370 where: short stacking energy: -204.765 Base-Backbone interact. energy: 2.922 local terms energy: -238.855144 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -53.147 flat angles C4'-P-C4' energy: -44.909 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: -44.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -597.971476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.971476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.971476 (E_RNA) where: Base-Base interactions energy: -389.384 where: short stacking energy: -185.028 Base-Backbone interact. energy: -0.352 local terms energy: -208.235427 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -56.049 flat angles C4'-P-C4' energy: -47.345 flat angles P-C4'-P energy: -23.414 tors. eta vs tors. theta energy: -26.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -391.040703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.040703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.040703 (E_RNA) where: Base-Base interactions energy: -197.518 where: short stacking energy: -113.333 Base-Backbone interact. energy: -0.676 local terms energy: -192.847073 where: bonds (distance) C4'-P energy: -42.212 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -55.780 flat angles P-C4'-P energy: -21.577 tors. eta vs tors. theta energy: -9.000 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -275.869020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.869020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.869020 (E_RNA) where: Base-Base interactions energy: -107.642 where: short stacking energy: -92.882 Base-Backbone interact. energy: -1.837 local terms energy: -166.389598 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -53.517 flat angles C4'-P-C4' energy: -46.270 flat angles P-C4'-P energy: -19.379 tors. eta vs tors. theta energy: 1.491 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1140.583645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.583645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.583645 (E_RNA) where: Base-Base interactions energy: -776.076 where: short stacking energy: -337.290 Base-Backbone interact. energy: -1.710 local terms energy: -362.797626 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -68.221 flat angles C4'-P-C4' energy: -75.030 flat angles P-C4'-P energy: -53.482 tors. eta vs tors. theta energy: -99.796 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: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1121.236139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.236139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.236139 (E_RNA) where: Base-Base interactions energy: -788.127 where: short stacking energy: -320.632 Base-Backbone interact. energy: 3.512 local terms energy: -336.620671 where: bonds (distance) C4'-P energy: -56.137 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: -93.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1014.995517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.995517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.995517 (E_RNA) where: Base-Base interactions energy: -691.649 where: short stacking energy: -275.111 Base-Backbone interact. energy: -1.728 local terms energy: -321.618940 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -64.999 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -84.533 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: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1013.897450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.897450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.897450 (E_RNA) where: Base-Base interactions energy: -702.498 where: short stacking energy: -303.246 Base-Backbone interact. energy: 2.068 local terms energy: -313.467181 where: bonds (distance) C4'-P energy: -56.665 bonds (distance) P-C4' energy: -54.114 flat angles C4'-P-C4' energy: -70.788 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -93.273 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: 330 Temperature: 1.100000 Total energy: -936.700320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.700320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.700320 (E_RNA) where: Base-Base interactions energy: -628.907 where: short stacking energy: -294.168 Base-Backbone interact. energy: -0.377 local terms energy: -307.415997 where: bonds (distance) C4'-P energy: -49.707 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -85.815 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: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -818.371407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.371407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.371407 (E_RNA) where: Base-Base interactions energy: -547.425 where: short stacking energy: -244.483 Base-Backbone interact. energy: 2.052 local terms energy: -272.997984 where: bonds (distance) C4'-P energy: -59.662 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -44.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -718.006304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.006304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.006304 (E_RNA) where: Base-Base interactions energy: -447.730 where: short stacking energy: -202.444 Base-Backbone interact. energy: 0.430 local terms energy: -270.706910 where: bonds (distance) C4'-P energy: -50.591 bonds (distance) P-C4' energy: -60.635 flat angles C4'-P-C4' energy: -66.283 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -48.270 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: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -563.534340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.534340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.534340 (E_RNA) where: Base-Base interactions energy: -351.529 where: short stacking energy: -148.917 Base-Backbone interact. energy: -1.806 local terms energy: -210.198951 where: bonds (distance) C4'-P energy: -60.685 bonds (distance) P-C4' energy: -63.203 flat angles C4'-P-C4' energy: -49.002 flat angles P-C4'-P energy: -19.765 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -358.474457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.474457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.474457 (E_RNA) where: Base-Base interactions energy: -164.554 where: short stacking energy: -94.652 Base-Backbone interact. energy: 0.507 local terms energy: -194.427234 where: bonds (distance) C4'-P energy: -47.776 bonds (distance) P-C4' energy: -51.325 flat angles C4'-P-C4' energy: -63.857 flat angles P-C4'-P energy: -31.241 tors. eta vs tors. theta energy: -0.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -272.606608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.606608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.606608 (E_RNA) where: Base-Base interactions energy: -96.714 where: short stacking energy: -89.491 Base-Backbone interact. energy: -1.781 local terms energy: -174.111546 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -46.700 flat angles C4'-P-C4' energy: -47.547 flat angles P-C4'-P energy: -27.574 tors. eta vs tors. theta energy: 2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1124.680656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.680656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.680656 (E_RNA) where: Base-Base interactions energy: -784.369 where: short stacking energy: -318.582 Base-Backbone interact. energy: -1.845 local terms energy: -338.466657 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -63.803 flat angles C4'-P-C4' energy: -74.263 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -91.122 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: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1112.304636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.304636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.304636 (E_RNA) where: Base-Base interactions energy: -771.264 where: short stacking energy: -307.946 Base-Backbone interact. energy: 0.135 local terms energy: -341.175758 where: bonds (distance) C4'-P energy: -62.591 bonds (distance) P-C4' energy: -73.324 flat angles C4'-P-C4' energy: -68.463 flat angles P-C4'-P energy: -43.847 tors. eta vs tors. theta energy: -92.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1043.522705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.522705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.522705 (E_RNA) where: Base-Base interactions energy: -730.672 where: short stacking energy: -305.461 Base-Backbone interact. energy: -0.202 local terms energy: -312.647989 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -67.708 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -80.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -995.701661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.701661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.701661 (E_RNA) where: Base-Base interactions energy: -678.824 where: short stacking energy: -310.513 Base-Backbone interact. energy: -2.616 local terms energy: -314.261645 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -58.512 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -43.079 tors. eta vs tors. theta energy: -82.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -941.632277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.632277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.632277 (E_RNA) where: Base-Base interactions energy: -647.273 where: short stacking energy: -289.071 Base-Backbone interact. energy: 0.163 local terms energy: -294.522079 where: bonds (distance) C4'-P energy: -59.358 bonds (distance) P-C4' energy: -58.602 flat angles C4'-P-C4' energy: -65.783 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -72.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -786.323820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.323820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.323820 (E_RNA) where: Base-Base interactions energy: -527.639 where: short stacking energy: -224.932 Base-Backbone interact. energy: -2.254 local terms energy: -256.430993 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -59.466 flat angles C4'-P-C4' energy: -57.328 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -45.379 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: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -705.825303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.825303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.825303 (E_RNA) where: Base-Base interactions energy: -446.021 where: short stacking energy: -197.786 Base-Backbone interact. energy: -0.716 local terms energy: -259.088155 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -39.742 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -57.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -534.321582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.321582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.321582 (E_RNA) where: Base-Base interactions energy: -309.437 where: short stacking energy: -139.947 Base-Backbone interact. energy: -1.180 local terms energy: -223.705155 where: bonds (distance) C4'-P energy: -51.804 bonds (distance) P-C4' energy: -48.266 flat angles C4'-P-C4' energy: -61.613 flat angles P-C4'-P energy: -36.628 tors. eta vs tors. theta energy: -25.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -387.009745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.009745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.009745 (E_RNA) where: Base-Base interactions energy: -177.747 where: short stacking energy: -117.331 Base-Backbone interact. energy: 1.136 local terms energy: -210.399116 where: bonds (distance) C4'-P energy: -59.242 bonds (distance) P-C4' energy: -56.946 flat angles C4'-P-C4' energy: -43.596 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: -18.986 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: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -274.106235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.106235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.106235 (E_RNA) where: Base-Base interactions energy: -101.688 where: short stacking energy: -86.632 Base-Backbone interact. energy: 0.098 local terms energy: -172.515822 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -38.453 flat angles C4'-P-C4' energy: -42.373 flat angles P-C4'-P energy: -33.114 tors. eta vs tors. theta energy: 0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1135.561805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.561805 (E_RNA) where: Base-Base interactions energy: -778.300 where: short stacking energy: -333.228 Base-Backbone interact. energy: -0.530 local terms energy: -356.731441 where: bonds (distance) C4'-P energy: -65.308 bonds (distance) P-C4' energy: -74.675 flat angles C4'-P-C4' energy: -74.799 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -93.636 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: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1094.503083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.503083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.503083 (E_RNA) where: Base-Base interactions energy: -766.031 where: short stacking energy: -313.470 Base-Backbone interact. energy: 1.436 local terms energy: -329.908181 where: bonds (distance) C4'-P energy: -53.928 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -74.410 flat angles P-C4'-P energy: -52.256 tors. eta vs tors. theta energy: -88.359 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: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1038.943063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.943063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.943063 (E_RNA) where: Base-Base interactions energy: -725.814 where: short stacking energy: -288.795 Base-Backbone interact. energy: -2.041 local terms energy: -311.087606 where: bonds (distance) C4'-P energy: -52.884 bonds (distance) P-C4' energy: -62.940 flat angles C4'-P-C4' energy: -70.652 flat angles P-C4'-P energy: -41.617 tors. eta vs tors. theta energy: -82.995 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: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1003.527536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.527536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.527536 (E_RNA) where: Base-Base interactions energy: -678.800 where: short stacking energy: -281.122 Base-Backbone interact. energy: 0.115 local terms energy: -324.843010 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -69.668 flat angles C4'-P-C4' energy: -65.109 flat angles P-C4'-P energy: -39.802 tors. eta vs tors. theta energy: -84.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -912.782762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.782762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.782762 (E_RNA) where: Base-Base interactions energy: -644.742 where: short stacking energy: -284.377 Base-Backbone interact. energy: -1.023 local terms energy: -267.017717 where: bonds (distance) C4'-P energy: -45.072 bonds (distance) P-C4' energy: -48.061 flat angles C4'-P-C4' energy: -54.704 flat angles P-C4'-P energy: -40.834 tors. eta vs tors. theta energy: -78.347 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -804.021524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.021524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.021524 (E_RNA) where: Base-Base interactions energy: -535.714 where: short stacking energy: -251.501 Base-Backbone interact. energy: 1.257 local terms energy: -269.564573 where: bonds (distance) C4'-P energy: -50.253 bonds (distance) P-C4' energy: -54.917 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -56.783 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: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -713.829419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.829419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.829419 (E_RNA) where: Base-Base interactions energy: -463.766 where: short stacking energy: -194.609 Base-Backbone interact. energy: -2.661 local terms energy: -247.402642 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -60.484 flat angles C4'-P-C4' energy: -60.641 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -39.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -476.460851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.460851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.460851 (E_RNA) where: Base-Base interactions energy: -259.387 where: short stacking energy: -134.928 Base-Backbone interact. energy: -1.516 local terms energy: -215.557910 where: bonds (distance) C4'-P energy: -53.044 bonds (distance) P-C4' energy: -58.750 flat angles C4'-P-C4' energy: -57.240 flat angles P-C4'-P energy: -33.623 tors. eta vs tors. theta energy: -12.901 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: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -446.137050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.137050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.137050 (E_RNA) where: Base-Base interactions energy: -250.019 where: short stacking energy: -138.264 Base-Backbone interact. energy: 3.687 local terms energy: -199.804699 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -55.606 flat angles C4'-P-C4' energy: -42.237 flat angles P-C4'-P energy: -35.541 tors. eta vs tors. theta energy: -18.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -275.807919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.807919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.807919 (E_RNA) where: Base-Base interactions energy: -137.534 where: short stacking energy: -89.301 Base-Backbone interact. energy: -0.881 local terms energy: -137.392652 where: bonds (distance) C4'-P energy: -34.529 bonds (distance) P-C4' energy: -46.441 flat angles C4'-P-C4' energy: -45.788 flat angles P-C4'-P energy: -18.122 tors. eta vs tors. theta energy: 7.488 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: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1126.211307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.211307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.211307 (E_RNA) where: Base-Base interactions energy: -777.339 where: short stacking energy: -350.983 Base-Backbone interact. energy: -3.035 local terms energy: -345.837014 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -60.605 flat angles C4'-P-C4' energy: -73.704 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -98.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1103.726011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.726011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.726011 (E_RNA) where: Base-Base interactions energy: -764.083 where: short stacking energy: -329.443 Base-Backbone interact. energy: -1.651 local terms energy: -337.991655 where: bonds (distance) C4'-P energy: -62.727 bonds (distance) P-C4' energy: -62.956 flat angles C4'-P-C4' energy: -73.917 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -90.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1045.930964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.930964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.930964 (E_RNA) where: Base-Base interactions energy: -721.335 where: short stacking energy: -292.563 Base-Backbone interact. energy: -1.817 local terms energy: -322.778462 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -56.044 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -49.015 tors. eta vs tors. theta energy: -82.158 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1014.503520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.503520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.503520 (E_RNA) where: Base-Base interactions energy: -692.113 where: short stacking energy: -300.730 Base-Backbone interact. energy: -2.511 local terms energy: -319.879067 where: bonds (distance) C4'-P energy: -49.641 bonds (distance) P-C4' energy: -64.362 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -48.273 tors. eta vs tors. theta energy: -85.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -962.977164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.977164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.977164 (E_RNA) where: Base-Base interactions energy: -663.307 where: short stacking energy: -294.022 Base-Backbone interact. energy: 0.826 local terms energy: -300.496284 where: bonds (distance) C4'-P energy: -54.481 bonds (distance) P-C4' energy: -53.613 flat angles C4'-P-C4' energy: -64.513 flat angles P-C4'-P energy: -43.780 tors. eta vs tors. theta energy: -84.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -813.730618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.730618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.730618 (E_RNA) where: Base-Base interactions energy: -533.114 where: short stacking energy: -243.350 Base-Backbone interact. energy: -0.887 local terms energy: -279.730218 where: bonds (distance) C4'-P energy: -56.199 bonds (distance) P-C4' energy: -53.049 flat angles C4'-P-C4' energy: -64.424 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -60.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -682.623391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.623391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.623391 (E_RNA) where: Base-Base interactions energy: -430.298 where: short stacking energy: -189.844 Base-Backbone interact. energy: 2.510 local terms energy: -254.835961 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -63.022 flat angles C4'-P-C4' energy: -47.794 flat angles P-C4'-P energy: -37.462 tors. eta vs tors. theta energy: -38.266 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -486.531404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.531404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.531404 (E_RNA) where: Base-Base interactions energy: -272.530 where: short stacking energy: -146.590 Base-Backbone interact. energy: -2.591 local terms energy: -211.410377 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -47.855 flat angles C4'-P-C4' energy: -56.620 flat angles P-C4'-P energy: -29.338 tors. eta vs tors. theta energy: -20.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -444.395325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.395325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.395325 (E_RNA) where: Base-Base interactions energy: -241.284 where: short stacking energy: -137.354 Base-Backbone interact. energy: -1.551 local terms energy: -201.560942 where: bonds (distance) C4'-P energy: -38.805 bonds (distance) P-C4' energy: -53.116 flat angles C4'-P-C4' energy: -62.211 flat angles P-C4'-P energy: -28.405 tors. eta vs tors. theta energy: -19.024 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: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -288.664608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.664608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.664608 (E_RNA) where: Base-Base interactions energy: -106.391 where: short stacking energy: -80.063 Base-Backbone interact. energy: 1.005 local terms energy: -183.279278 where: bonds (distance) C4'-P energy: -50.696 bonds (distance) P-C4' energy: -55.278 flat angles C4'-P-C4' energy: -50.525 flat angles P-C4'-P energy: -28.567 tors. eta vs tors. theta energy: 1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1124.923692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.923692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.923692 (E_RNA) where: Base-Base interactions energy: -770.373 where: short stacking energy: -323.875 Base-Backbone interact. energy: -3.012 local terms energy: -351.538420 where: bonds (distance) C4'-P energy: -55.750 bonds (distance) P-C4' energy: -66.817 flat angles C4'-P-C4' energy: -78.848 flat angles P-C4'-P energy: -56.738 tors. eta vs tors. theta energy: -93.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1090.421091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.421091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.421091 (E_RNA) where: Base-Base interactions energy: -770.941 where: short stacking energy: -337.602 Base-Backbone interact. energy: -0.911 local terms energy: -318.568416 where: bonds (distance) C4'-P energy: -52.335 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -89.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1052.573978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.573978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.573978 (E_RNA) where: Base-Base interactions energy: -746.045 where: short stacking energy: -311.467 Base-Backbone interact. energy: 0.071 local terms energy: -306.599242 where: bonds (distance) C4'-P energy: -50.893 bonds (distance) P-C4' energy: -53.989 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: -94.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1040.678727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.678727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.678727 (E_RNA) where: Base-Base interactions energy: -727.765 where: short stacking energy: -326.882 Base-Backbone interact. energy: 1.800 local terms energy: -314.713674 where: bonds (distance) C4'-P energy: -53.495 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -68.967 flat angles P-C4'-P energy: -37.212 tors. eta vs tors. theta energy: -93.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -968.577677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.577677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.577677 (E_RNA) where: Base-Base interactions energy: -655.729 where: short stacking energy: -307.534 Base-Backbone interact. energy: 0.148 local terms energy: -312.996298 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -50.337 flat angles C4'-P-C4' energy: -68.400 flat angles P-C4'-P energy: -49.129 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: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -835.407198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.407198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.407198 (E_RNA) where: Base-Base interactions energy: -544.235 where: short stacking energy: -261.798 Base-Backbone interact. energy: -1.490 local terms energy: -289.682833 where: bonds (distance) C4'-P energy: -43.565 bonds (distance) P-C4' energy: -63.889 flat angles C4'-P-C4' energy: -61.919 flat angles P-C4'-P energy: -49.131 tors. eta vs tors. theta energy: -71.179 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: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -657.584999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.584999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.584999 (E_RNA) where: Base-Base interactions energy: -429.659 where: short stacking energy: -175.071 Base-Backbone interact. energy: -1.840 local terms energy: -226.086704 where: bonds (distance) C4'-P energy: -52.379 bonds (distance) P-C4' energy: -49.926 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -23.885 tors. eta vs tors. theta energy: -42.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -507.466837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.466837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.466837 (E_RNA) where: Base-Base interactions energy: -272.428 where: short stacking energy: -144.234 Base-Backbone interact. energy: -1.253 local terms energy: -233.785621 where: bonds (distance) C4'-P energy: -57.609 bonds (distance) P-C4' energy: -50.170 flat angles C4'-P-C4' energy: -63.305 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -26.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -432.258852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.258852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.258852 (E_RNA) where: Base-Base interactions energy: -220.735 where: short stacking energy: -145.741 Base-Backbone interact. energy: -0.663 local terms energy: -210.860441 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -57.552 flat angles C4'-P-C4' energy: -53.116 flat angles P-C4'-P energy: -37.609 tors. eta vs tors. theta energy: -13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -274.543669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.543669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.543669 (E_RNA) where: Base-Base interactions energy: -86.681 where: short stacking energy: -73.062 Base-Backbone interact. energy: 3.889 local terms energy: -191.751325 where: bonds (distance) C4'-P energy: -53.155 bonds (distance) P-C4' energy: -56.807 flat angles C4'-P-C4' energy: -55.817 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: 13.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1141.173932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.173932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.173932 (E_RNA) where: Base-Base interactions energy: -805.576 where: short stacking energy: -311.961 Base-Backbone interact. energy: -2.348 local terms energy: -333.249388 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -74.712 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -88.852 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: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1112.645051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.645051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.645051 (E_RNA) where: Base-Base interactions energy: -768.419 where: short stacking energy: -339.616 Base-Backbone interact. energy: -1.031 local terms energy: -343.194915 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -59.641 flat angles C4'-P-C4' energy: -71.665 flat angles P-C4'-P energy: -49.245 tors. eta vs tors. theta energy: -103.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1007.579713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.579713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.579713 (E_RNA) where: Base-Base interactions energy: -687.050 where: short stacking energy: -275.591 Base-Backbone interact. energy: -1.152 local terms energy: -319.377671 where: bonds (distance) C4'-P energy: -55.797 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -52.489 tors. eta vs tors. theta energy: -82.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1043.255627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.255627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.255627 (E_RNA) where: Base-Base interactions energy: -699.222 where: short stacking energy: -299.959 Base-Backbone interact. energy: -2.918 local terms energy: -341.115801 where: bonds (distance) C4'-P energy: -67.311 bonds (distance) P-C4' energy: -67.758 flat angles C4'-P-C4' energy: -70.100 flat angles P-C4'-P energy: -45.352 tors. eta vs tors. theta energy: -90.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -935.596013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.596013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.596013 (E_RNA) where: Base-Base interactions energy: -623.015 where: short stacking energy: -276.480 Base-Backbone interact. energy: -0.658 local terms energy: -311.922389 where: bonds (distance) C4'-P energy: -64.196 bonds (distance) P-C4' energy: -58.010 flat angles C4'-P-C4' energy: -68.996 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -74.926 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: 335 Temperature: 1.150000 Total energy: -811.635994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.635994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.635994 (E_RNA) where: Base-Base interactions energy: -542.336 where: short stacking energy: -235.683 Base-Backbone interact. energy: 0.599 local terms energy: -269.898940 where: bonds (distance) C4'-P energy: -57.929 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -65.495 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -53.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -699.970948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.970948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.970948 (E_RNA) where: Base-Base interactions energy: -445.413 where: short stacking energy: -194.667 Base-Backbone interact. energy: -2.499 local terms energy: -252.058498 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -57.203 flat angles C4'-P-C4' energy: -52.826 flat angles P-C4'-P energy: -31.722 tors. eta vs tors. theta energy: -57.451 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: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -455.901998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.901998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.901998 (E_RNA) where: Base-Base interactions energy: -226.016 where: short stacking energy: -125.354 Base-Backbone interact. energy: -2.081 local terms energy: -227.804936 where: bonds (distance) C4'-P energy: -56.252 bonds (distance) P-C4' energy: -58.189 flat angles C4'-P-C4' energy: -59.880 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -10.154 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: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -488.633551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.633551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.633551 (E_RNA) where: Base-Base interactions energy: -286.231 where: short stacking energy: -150.959 Base-Backbone interact. energy: -0.965 local terms energy: -201.436799 where: bonds (distance) C4'-P energy: -41.769 bonds (distance) P-C4' energy: -55.638 flat angles C4'-P-C4' energy: -58.490 flat angles P-C4'-P energy: -30.699 tors. eta vs tors. theta energy: -14.840 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: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -274.442788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.442788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.442788 (E_RNA) where: Base-Base interactions energy: -111.159 where: short stacking energy: -86.101 Base-Backbone interact. energy: -0.234 local terms energy: -163.050148 where: bonds (distance) C4'-P energy: -53.396 bonds (distance) P-C4' energy: -44.943 flat angles C4'-P-C4' energy: -54.435 flat angles P-C4'-P energy: -24.654 tors. eta vs tors. theta energy: 14.379 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: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1130.526680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.526680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.526680 (E_RNA) where: Base-Base interactions energy: -784.139 where: short stacking energy: -329.731 Base-Backbone interact. energy: -2.133 local terms energy: -344.255018 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -58.140 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -47.042 tors. eta vs tors. theta energy: -99.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1103.344242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.344242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.344242 (E_RNA) where: Base-Base interactions energy: -760.269 where: short stacking energy: -323.412 Base-Backbone interact. energy: -2.514 local terms energy: -340.561808 where: bonds (distance) C4'-P energy: -60.323 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: -90.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1069.340442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.340442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.340442 (E_RNA) where: Base-Base interactions energy: -734.631 where: short stacking energy: -324.911 Base-Backbone interact. energy: 0.723 local terms energy: -335.432217 where: bonds (distance) C4'-P energy: -65.013 bonds (distance) P-C4' energy: -67.079 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -39.224 tors. eta vs tors. theta energy: -95.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1012.161231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.161231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.161231 (E_RNA) where: Base-Base interactions energy: -686.765 where: short stacking energy: -288.497 Base-Backbone interact. energy: -2.665 local terms energy: -322.731458 where: bonds (distance) C4'-P energy: -54.843 bonds (distance) P-C4' energy: -51.306 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -46.686 tors. eta vs tors. theta energy: -92.307 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: 336 Temperature: 1.100000 Total energy: -920.643026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.643026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.643026 (E_RNA) where: Base-Base interactions energy: -614.057 where: short stacking energy: -284.595 Base-Backbone interact. energy: 0.076 local terms energy: -306.662312 where: bonds (distance) C4'-P energy: -54.409 bonds (distance) P-C4' energy: -51.554 flat angles C4'-P-C4' energy: -69.133 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -85.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -818.490058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.490058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.490058 (E_RNA) where: Base-Base interactions energy: -554.777 where: short stacking energy: -229.265 Base-Backbone interact. energy: -1.221 local terms energy: -262.492322 where: bonds (distance) C4'-P energy: -49.543 bonds (distance) P-C4' energy: -58.067 flat angles C4'-P-C4' energy: -58.509 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -48.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -682.946028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.946028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.946028 (E_RNA) where: Base-Base interactions energy: -428.367 where: short stacking energy: -182.411 Base-Backbone interact. energy: -0.764 local terms energy: -253.815647 where: bonds (distance) C4'-P energy: -54.047 bonds (distance) P-C4' energy: -61.483 flat angles C4'-P-C4' energy: -62.252 flat angles P-C4'-P energy: -35.340 tors. eta vs tors. theta energy: -40.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -431.813723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.813723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.813723 (E_RNA) where: Base-Base interactions energy: -202.196 where: short stacking energy: -114.762 Base-Backbone interact. energy: 1.559 local terms energy: -231.176764 where: bonds (distance) C4'-P energy: -64.552 bonds (distance) P-C4' energy: -60.595 flat angles C4'-P-C4' energy: -63.099 flat angles P-C4'-P energy: -38.132 tors. eta vs tors. theta energy: -4.798 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: 336 Temperature: 1.300000 Total energy: -517.633553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.633553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.633553 (E_RNA) where: Base-Base interactions energy: -287.056 where: short stacking energy: -131.148 Base-Backbone interact. energy: 5.384 local terms energy: -235.961668 where: bonds (distance) C4'-P energy: -52.119 bonds (distance) P-C4' energy: -60.978 flat angles C4'-P-C4' energy: -58.379 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -285.161270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.161270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.161270 (E_RNA) where: Base-Base interactions energy: -96.054 where: short stacking energy: -80.978 Base-Backbone interact. energy: -0.627 local terms energy: -188.479959 where: bonds (distance) C4'-P energy: -58.388 bonds (distance) P-C4' energy: -57.521 flat angles C4'-P-C4' energy: -46.681 flat angles P-C4'-P energy: -38.157 tors. eta vs tors. theta energy: 12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1122.306409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.306409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.306409 (E_RNA) where: Base-Base interactions energy: -781.600 where: short stacking energy: -335.155 Base-Backbone interact. energy: -2.244 local terms energy: -338.461849 where: bonds (distance) C4'-P energy: -68.838 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -90.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1099.015791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.015791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.015791 (E_RNA) where: Base-Base interactions energy: -754.025 where: short stacking energy: -291.829 Base-Backbone interact. energy: 0.141 local terms energy: -345.132079 where: bonds (distance) C4'-P energy: -63.677 bonds (distance) P-C4' energy: -75.003 flat angles C4'-P-C4' energy: -72.395 flat angles P-C4'-P energy: -52.076 tors. eta vs tors. theta energy: -81.981 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: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1086.372618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.372618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.372618 (E_RNA) where: Base-Base interactions energy: -731.475 where: short stacking energy: -316.152 Base-Backbone interact. energy: -1.601 local terms energy: -353.296554 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -57.401 flat angles C4'-P-C4' energy: -76.780 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -97.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -987.809009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.809009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.809009 (E_RNA) where: Base-Base interactions energy: -671.260 where: short stacking energy: -283.311 Base-Backbone interact. energy: -0.191 local terms energy: -316.358246 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -63.729 flat angles P-C4'-P energy: -50.559 tors. eta vs tors. theta energy: -86.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -927.974294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.974294 (E_RNA) where: Base-Base interactions energy: -621.491 where: short stacking energy: -271.443 Base-Backbone interact. energy: -0.985 local terms energy: -305.498661 where: bonds (distance) C4'-P energy: -60.689 bonds (distance) P-C4' energy: -58.264 flat angles C4'-P-C4' energy: -63.838 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -80.269 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: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -789.912749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.912749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.912749 (E_RNA) where: Base-Base interactions energy: -540.625 where: short stacking energy: -224.409 Base-Backbone interact. energy: -1.407 local terms energy: -247.880798 where: bonds (distance) C4'-P energy: -54.773 bonds (distance) P-C4' energy: -55.355 flat angles C4'-P-C4' energy: -58.078 flat angles P-C4'-P energy: -32.712 tors. eta vs tors. theta energy: -46.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -664.098025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.098025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.098025 (E_RNA) where: Base-Base interactions energy: -414.600 where: short stacking energy: -198.148 Base-Backbone interact. energy: -1.508 local terms energy: -247.989357 where: bonds (distance) C4'-P energy: -58.474 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -54.316 flat angles P-C4'-P energy: -34.282 tors. eta vs tors. theta energy: -40.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -559.040746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.040746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.040746 (E_RNA) where: Base-Base interactions energy: -349.993 where: short stacking energy: -149.192 Base-Backbone interact. energy: -1.338 local terms energy: -207.710249 where: bonds (distance) C4'-P energy: -54.149 bonds (distance) P-C4' energy: -41.930 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -36.096 tors. eta vs tors. theta energy: -15.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -433.303899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.303899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.303899 (E_RNA) where: Base-Base interactions energy: -241.250 where: short stacking energy: -132.093 Base-Backbone interact. energy: -1.367 local terms energy: -190.687076 where: bonds (distance) C4'-P energy: -39.604 bonds (distance) P-C4' energy: -49.092 flat angles C4'-P-C4' energy: -57.412 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -282.019017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.019017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.019017 (E_RNA) where: Base-Base interactions energy: -116.161 where: short stacking energy: -81.258 Base-Backbone interact. energy: 0.014 local terms energy: -165.872181 where: bonds (distance) C4'-P energy: -51.248 bonds (distance) P-C4' energy: -55.216 flat angles C4'-P-C4' energy: -41.096 flat angles P-C4'-P energy: -34.265 tors. eta vs tors. theta energy: 15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1129.448510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.448510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.448510 (E_RNA) where: Base-Base interactions energy: -773.354 where: short stacking energy: -340.840 Base-Backbone interact. energy: -2.033 local terms energy: -354.061917 where: bonds (distance) C4'-P energy: -66.716 bonds (distance) P-C4' energy: -63.151 flat angles C4'-P-C4' energy: -70.626 flat angles P-C4'-P energy: -56.693 tors. eta vs tors. theta energy: -96.876 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1098.295126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.295126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.295126 (E_RNA) where: Base-Base interactions energy: -760.646 where: short stacking energy: -303.304 Base-Backbone interact. energy: -0.485 local terms energy: -337.164366 where: bonds (distance) C4'-P energy: -53.838 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -45.426 tors. eta vs tors. theta energy: -97.682 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: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1071.751027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.751027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.751027 (E_RNA) where: Base-Base interactions energy: -744.898 where: short stacking energy: -319.972 Base-Backbone interact. energy: -0.548 local terms energy: -326.305598 where: bonds (distance) C4'-P energy: -58.856 bonds (distance) P-C4' energy: -58.838 flat angles C4'-P-C4' energy: -75.442 flat angles P-C4'-P energy: -40.194 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: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -999.097011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.097011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.097011 (E_RNA) where: Base-Base interactions energy: -682.035 where: short stacking energy: -299.450 Base-Backbone interact. energy: -0.866 local terms energy: -316.196130 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -58.638 flat angles C4'-P-C4' energy: -67.694 flat angles P-C4'-P energy: -46.144 tors. eta vs tors. theta energy: -90.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -968.261190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.261190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.261190 (E_RNA) where: Base-Base interactions energy: -646.944 where: short stacking energy: -288.361 Base-Backbone interact. energy: -0.365 local terms energy: -320.951644 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -63.469 flat angles C4'-P-C4' energy: -72.694 flat angles P-C4'-P energy: -44.902 tors. eta vs tors. theta energy: -86.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -793.698867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.698867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.698867 (E_RNA) where: Base-Base interactions energy: -523.204 where: short stacking energy: -236.982 Base-Backbone interact. energy: 1.094 local terms energy: -271.589285 where: bonds (distance) C4'-P energy: -47.885 bonds (distance) P-C4' energy: -57.910 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -40.389 tors. eta vs tors. theta energy: -62.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -689.708868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.708868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.708868 (E_RNA) where: Base-Base interactions energy: -427.509 where: short stacking energy: -215.294 Base-Backbone interact. energy: -2.045 local terms energy: -260.154456 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -67.654 flat angles C4'-P-C4' energy: -45.998 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -51.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -541.767217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.767217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.767217 (E_RNA) where: Base-Base interactions energy: -312.103 where: short stacking energy: -156.327 Base-Backbone interact. energy: -0.435 local terms energy: -229.228959 where: bonds (distance) C4'-P energy: -55.609 bonds (distance) P-C4' energy: -63.223 flat angles C4'-P-C4' energy: -41.974 flat angles P-C4'-P energy: -45.333 tors. eta vs tors. theta energy: -23.089 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: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -445.802012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.802012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.802012 (E_RNA) where: Base-Base interactions energy: -249.433 where: short stacking energy: -123.240 Base-Backbone interact. energy: -0.238 local terms energy: -196.131522 where: bonds (distance) C4'-P energy: -49.390 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -36.658 flat angles P-C4'-P energy: -26.231 tors. eta vs tors. theta energy: -19.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -317.716942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.716942 (E_RNA) where: Base-Base interactions energy: -136.161 where: short stacking energy: -79.675 Base-Backbone interact. energy: -0.872 local terms energy: -180.684511 where: bonds (distance) C4'-P energy: -49.485 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -42.194 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1146.973865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.973865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.973865 (E_RNA) where: Base-Base interactions energy: -790.737 where: short stacking energy: -325.811 Base-Backbone interact. energy: -0.693 local terms energy: -355.544725 where: bonds (distance) C4'-P energy: -57.102 bonds (distance) P-C4' energy: -68.873 flat angles C4'-P-C4' energy: -80.182 flat angles P-C4'-P energy: -51.926 tors. eta vs tors. theta energy: -97.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1065.572520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.572520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.572520 (E_RNA) where: Base-Base interactions energy: -740.669 where: short stacking energy: -299.982 Base-Backbone interact. energy: -2.295 local terms energy: -322.608198 where: bonds (distance) C4'-P energy: -61.914 bonds (distance) P-C4' energy: -59.640 flat angles C4'-P-C4' energy: -75.760 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -86.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1060.828365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.828365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.828365 (E_RNA) where: Base-Base interactions energy: -726.974 where: short stacking energy: -316.672 Base-Backbone interact. energy: -1.638 local terms energy: -332.216481 where: bonds (distance) C4'-P energy: -63.581 bonds (distance) P-C4' energy: -58.384 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -46.888 tors. eta vs tors. theta energy: -90.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -985.554688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.554688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.554688 (E_RNA) where: Base-Base interactions energy: -663.802 where: short stacking energy: -297.529 Base-Backbone interact. energy: 0.805 local terms energy: -322.557429 where: bonds (distance) C4'-P energy: -64.618 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -65.539 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -84.776 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: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1004.878707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.878707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.878707 (E_RNA) where: Base-Base interactions energy: -683.251 where: short stacking energy: -288.428 Base-Backbone interact. energy: -1.206 local terms energy: -320.421520 where: bonds (distance) C4'-P energy: -42.976 bonds (distance) P-C4' energy: -60.958 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -90.193 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: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -762.524449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.524449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.524449 (E_RNA) where: Base-Base interactions energy: -503.808 where: short stacking energy: -221.061 Base-Backbone interact. energy: -0.763 local terms energy: -257.953319 where: bonds (distance) C4'-P energy: -54.510 bonds (distance) P-C4' energy: -57.795 flat angles C4'-P-C4' energy: -60.981 flat angles P-C4'-P energy: -33.002 tors. eta vs tors. theta energy: -51.665 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: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -709.855175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.855175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.855175 (E_RNA) where: Base-Base interactions energy: -429.345 where: short stacking energy: -206.355 Base-Backbone interact. energy: -0.527 local terms energy: -279.983903 where: bonds (distance) C4'-P energy: -55.730 bonds (distance) P-C4' energy: -52.282 flat angles C4'-P-C4' energy: -70.582 flat angles P-C4'-P energy: -42.805 tors. eta vs tors. theta energy: -58.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -509.648130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.648130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.648130 (E_RNA) where: Base-Base interactions energy: -285.415 where: short stacking energy: -147.407 Base-Backbone interact. energy: 0.371 local terms energy: -224.604321 where: bonds (distance) C4'-P energy: -50.322 bonds (distance) P-C4' energy: -65.617 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -30.159 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -478.245330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.245330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.245330 (E_RNA) where: Base-Base interactions energy: -276.922 where: short stacking energy: -149.726 Base-Backbone interact. energy: -1.729 local terms energy: -199.594070 where: bonds (distance) C4'-P energy: -51.747 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -38.675 flat angles P-C4'-P energy: -33.857 tors. eta vs tors. theta energy: -10.945 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: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -308.819671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.819671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.819671 (E_RNA) where: Base-Base interactions energy: -116.076 where: short stacking energy: -92.947 Base-Backbone interact. energy: -1.105 local terms energy: -191.638687 where: bonds (distance) C4'-P energy: -47.412 bonds (distance) P-C4' energy: -56.971 flat angles C4'-P-C4' energy: -51.221 flat angles P-C4'-P energy: -32.148 tors. eta vs tors. theta energy: -3.886 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: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1138.874608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.874608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.874608 (E_RNA) where: Base-Base interactions energy: -806.572 where: short stacking energy: -345.796 Base-Backbone interact. energy: 0.589 local terms energy: -332.891694 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -51.588 flat angles C4'-P-C4' energy: -72.007 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -103.309 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: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1091.280560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.280560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.280560 (E_RNA) where: Base-Base interactions energy: -755.899 where: short stacking energy: -290.250 Base-Backbone interact. energy: -2.141 local terms energy: -333.240545 where: bonds (distance) C4'-P energy: -60.267 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -68.004 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -83.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1072.527483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.527483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.527483 (E_RNA) where: Base-Base interactions energy: -730.434 where: short stacking energy: -305.613 Base-Backbone interact. energy: -0.901 local terms energy: -341.192407 where: bonds (distance) C4'-P energy: -59.430 bonds (distance) P-C4' energy: -62.099 flat angles C4'-P-C4' energy: -74.703 flat angles P-C4'-P energy: -51.100 tors. eta vs tors. theta energy: -93.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -963.745500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.745500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.745500 (E_RNA) where: Base-Base interactions energy: -645.635 where: short stacking energy: -278.066 Base-Backbone interact. energy: -0.514 local terms energy: -317.596951 where: bonds (distance) C4'-P energy: -56.270 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -71.903 flat angles P-C4'-P energy: -43.464 tors. eta vs tors. theta energy: -85.920 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: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -949.413361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.413361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.413361 (E_RNA) where: Base-Base interactions energy: -661.532 where: short stacking energy: -276.465 Base-Backbone interact. energy: -0.648 local terms energy: -287.233870 where: bonds (distance) C4'-P energy: -55.951 bonds (distance) P-C4' energy: -55.939 flat angles C4'-P-C4' energy: -67.915 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -74.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -765.095411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.095411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.095411 (E_RNA) where: Base-Base interactions energy: -494.406 where: short stacking energy: -241.565 Base-Backbone interact. energy: -2.233 local terms energy: -268.455866 where: bonds (distance) C4'-P energy: -53.278 bonds (distance) P-C4' energy: -55.042 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: -60.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -743.755120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.755120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.755120 (E_RNA) where: Base-Base interactions energy: -491.002 where: short stacking energy: -225.216 Base-Backbone interact. energy: -0.997 local terms energy: -251.756048 where: bonds (distance) C4'-P energy: -56.192 bonds (distance) P-C4' energy: -63.225 flat angles C4'-P-C4' energy: -55.435 flat angles P-C4'-P energy: -30.758 tors. eta vs tors. theta energy: -46.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -531.565933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.565933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.565933 (E_RNA) where: Base-Base interactions energy: -289.178 where: short stacking energy: -130.788 Base-Backbone interact. energy: -0.735 local terms energy: -241.653379 where: bonds (distance) C4'-P energy: -61.284 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -54.115 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -27.498 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -451.014320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.014320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.014320 (E_RNA) where: Base-Base interactions energy: -241.194 where: short stacking energy: -125.773 Base-Backbone interact. energy: 0.506 local terms energy: -210.325706 where: bonds (distance) C4'-P energy: -55.166 bonds (distance) P-C4' energy: -55.601 flat angles C4'-P-C4' energy: -55.822 flat angles P-C4'-P energy: -24.431 tors. eta vs tors. theta energy: -19.305 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: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -269.154899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.154899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.154899 (E_RNA) where: Base-Base interactions energy: -94.782 where: short stacking energy: -88.752 Base-Backbone interact. energy: 0.044 local terms energy: -174.416727 where: bonds (distance) C4'-P energy: -42.770 bonds (distance) P-C4' energy: -56.936 flat angles C4'-P-C4' energy: -48.608 flat angles P-C4'-P energy: -26.761 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1142.991906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.991906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.991906 (E_RNA) where: Base-Base interactions energy: -782.931 where: short stacking energy: -349.351 Base-Backbone interact. energy: -0.153 local terms energy: -359.907658 where: bonds (distance) C4'-P energy: -63.640 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -53.911 tors. eta vs tors. theta energy: -104.001 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: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1105.065834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.065834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.065834 (E_RNA) where: Base-Base interactions energy: -752.464 where: short stacking energy: -324.779 Base-Backbone interact. energy: -2.125 local terms energy: -350.476972 where: bonds (distance) C4'-P energy: -52.194 bonds (distance) P-C4' energy: -67.082 flat angles C4'-P-C4' energy: -77.851 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -92.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1062.997522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.997522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.997522 (E_RNA) where: Base-Base interactions energy: -730.254 where: short stacking energy: -284.011 Base-Backbone interact. energy: -0.461 local terms energy: -332.282258 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -69.505 flat angles P-C4'-P energy: -48.084 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: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1001.475700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.475700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.475700 (E_RNA) where: Base-Base interactions energy: -665.670 where: short stacking energy: -295.358 Base-Backbone interact. energy: 1.348 local terms energy: -337.154443 where: bonds (distance) C4'-P energy: -69.307 bonds (distance) P-C4' energy: -60.984 flat angles C4'-P-C4' energy: -72.689 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: -89.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -970.368853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.368853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.368853 (E_RNA) where: Base-Base interactions energy: -681.070 where: short stacking energy: -273.460 Base-Backbone interact. energy: -0.848 local terms energy: -288.450312 where: bonds (distance) C4'-P energy: -45.126 bonds (distance) P-C4' energy: -53.016 flat angles C4'-P-C4' energy: -73.068 flat angles P-C4'-P energy: -46.001 tors. eta vs tors. theta energy: -71.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -789.729760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.729760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.729760 (E_RNA) where: Base-Base interactions energy: -522.864 where: short stacking energy: -242.640 Base-Backbone interact. energy: -2.838 local terms energy: -264.028058 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -58.207 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -37.609 tors. eta vs tors. theta energy: -55.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -715.052044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.052044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.052044 (E_RNA) where: Base-Base interactions energy: -464.165 where: short stacking energy: -212.032 Base-Backbone interact. energy: -0.373 local terms energy: -250.514196 where: bonds (distance) C4'-P energy: -58.460 bonds (distance) P-C4' energy: -53.111 flat angles C4'-P-C4' energy: -65.650 flat angles P-C4'-P energy: -32.154 tors. eta vs tors. theta energy: -41.139 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: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -534.234247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.234247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.234247 (E_RNA) where: Base-Base interactions energy: -307.243 where: short stacking energy: -144.953 Base-Backbone interact. energy: -1.307 local terms energy: -225.683615 where: bonds (distance) C4'-P energy: -55.901 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -52.103 flat angles P-C4'-P energy: -33.363 tors. eta vs tors. theta energy: -19.219 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: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -455.691336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.691336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.691336 (E_RNA) where: Base-Base interactions energy: -247.598 where: short stacking energy: -124.730 Base-Backbone interact. energy: 0.320 local terms energy: -208.413494 where: bonds (distance) C4'-P energy: -45.736 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -48.525 flat angles P-C4'-P energy: -38.801 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -263.770280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.770280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.770280 (E_RNA) where: Base-Base interactions energy: -111.340 where: short stacking energy: -72.097 Base-Backbone interact. energy: 0.133 local terms energy: -152.563610 where: bonds (distance) C4'-P energy: -50.569 bonds (distance) P-C4' energy: -45.323 flat angles C4'-P-C4' energy: -44.109 flat angles P-C4'-P energy: -23.076 tors. eta vs tors. theta energy: 10.513 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: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1100.855746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.855746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.855746 (E_RNA) where: Base-Base interactions energy: -758.160 where: short stacking energy: -321.296 Base-Backbone interact. energy: -0.690 local terms energy: -342.005711 where: bonds (distance) C4'-P energy: -59.029 bonds (distance) P-C4' energy: -68.089 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -51.323 tors. eta vs tors. theta energy: -91.944 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: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1082.454811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.454811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.454811 (E_RNA) where: Base-Base interactions energy: -735.560 where: short stacking energy: -319.898 Base-Backbone interact. energy: -0.643 local terms energy: -346.251202 where: bonds (distance) C4'-P energy: -59.182 bonds (distance) P-C4' energy: -65.829 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -93.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1019.002779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.002779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.002779 (E_RNA) where: Base-Base interactions energy: -679.093 where: short stacking energy: -291.103 Base-Backbone interact. energy: -0.190 local terms energy: -339.719822 where: bonds (distance) C4'-P energy: -49.095 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -78.721 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -86.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1030.411291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.411291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.411291 (E_RNA) where: Base-Base interactions energy: -723.459 where: short stacking energy: -308.377 Base-Backbone interact. energy: -1.229 local terms energy: -305.723627 where: bonds (distance) C4'-P energy: -54.880 bonds (distance) P-C4' energy: -50.756 flat angles C4'-P-C4' energy: -69.017 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -86.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -961.084373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.084373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.084373 (E_RNA) where: Base-Base interactions energy: -667.145 where: short stacking energy: -285.496 Base-Backbone interact. energy: 1.005 local terms energy: -294.945160 where: bonds (distance) C4'-P energy: -63.682 bonds (distance) P-C4' energy: -58.350 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -30.287 tors. eta vs tors. theta energy: -77.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -811.676375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.676375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.676375 (E_RNA) where: Base-Base interactions energy: -564.300 where: short stacking energy: -236.303 Base-Backbone interact. energy: -2.160 local terms energy: -245.216164 where: bonds (distance) C4'-P energy: -42.906 bonds (distance) P-C4' energy: -58.208 flat angles C4'-P-C4' energy: -56.756 flat angles P-C4'-P energy: -36.413 tors. eta vs tors. theta energy: -50.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -705.551264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.551264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.551264 (E_RNA) where: Base-Base interactions energy: -464.079 where: short stacking energy: -205.028 Base-Backbone interact. energy: -1.839 local terms energy: -239.632779 where: bonds (distance) C4'-P energy: -61.443 bonds (distance) P-C4' energy: -50.008 flat angles C4'-P-C4' energy: -48.229 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -45.581 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: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -496.928258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.928258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.928258 (E_RNA) where: Base-Base interactions energy: -279.746 where: short stacking energy: -147.718 Base-Backbone interact. energy: -0.935 local terms energy: -216.246949 where: bonds (distance) C4'-P energy: -54.713 bonds (distance) P-C4' energy: -57.497 flat angles C4'-P-C4' energy: -50.900 flat angles P-C4'-P energy: -39.684 tors. eta vs tors. theta energy: -13.453 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: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -484.496666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.496666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.496666 (E_RNA) where: Base-Base interactions energy: -275.036 where: short stacking energy: -146.194 Base-Backbone interact. energy: 0.125 local terms energy: -209.584995 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -52.835 flat angles C4'-P-C4' energy: -52.189 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: -13.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -278.138615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.138615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.138615 (E_RNA) where: Base-Base interactions energy: -114.256 where: short stacking energy: -83.987 Base-Backbone interact. energy: -1.475 local terms energy: -162.407171 where: bonds (distance) C4'-P energy: -50.496 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -44.848 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: 7.174 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: 343 Temperature: 0.900000 Total energy: -1102.253113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.253113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.253113 (E_RNA) where: Base-Base interactions energy: -769.084 where: short stacking energy: -322.014 Base-Backbone interact. energy: -1.931 local terms energy: -331.237965 where: bonds (distance) C4'-P energy: -52.719 bonds (distance) P-C4' energy: -61.435 flat angles C4'-P-C4' energy: -74.910 flat angles P-C4'-P energy: -51.883 tors. eta vs tors. theta energy: -90.292 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: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1092.899564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.899564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.899564 (E_RNA) where: Base-Base interactions energy: -742.992 where: short stacking energy: -308.135 Base-Backbone interact. energy: -0.428 local terms energy: -349.480183 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -67.674 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -101.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1010.409709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.409709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.409709 (E_RNA) where: Base-Base interactions energy: -678.482 where: short stacking energy: -285.859 Base-Backbone interact. energy: 1.110 local terms energy: -333.037288 where: bonds (distance) C4'-P energy: -58.874 bonds (distance) P-C4' energy: -62.705 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -91.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1036.546849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.546849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.546849 (E_RNA) where: Base-Base interactions energy: -718.345 where: short stacking energy: -286.679 Base-Backbone interact. energy: -0.216 local terms energy: -317.985317 where: bonds (distance) C4'-P energy: -66.830 bonds (distance) P-C4' energy: -58.445 flat angles C4'-P-C4' energy: -66.919 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -84.512 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: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -958.717964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.717964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.717964 (E_RNA) where: Base-Base interactions energy: -658.716 where: short stacking energy: -288.155 Base-Backbone interact. energy: 0.726 local terms energy: -300.728178 where: bonds (distance) C4'-P energy: -48.889 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -66.786 flat angles P-C4'-P energy: -42.069 tors. eta vs tors. theta energy: -80.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -833.182603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.182603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.182603 (E_RNA) where: Base-Base interactions energy: -540.013 where: short stacking energy: -250.934 Base-Backbone interact. energy: -2.149 local terms energy: -291.020013 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -63.733 flat angles C4'-P-C4' energy: -65.352 flat angles P-C4'-P energy: -37.728 tors. eta vs tors. theta energy: -59.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -794.765836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.765836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.765836 (E_RNA) where: Base-Base interactions energy: -523.767 where: short stacking energy: -247.745 Base-Backbone interact. energy: -0.445 local terms energy: -270.553941 where: bonds (distance) C4'-P energy: -44.652 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -62.331 flat angles P-C4'-P energy: -44.045 tors. eta vs tors. theta energy: -61.469 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: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -522.679884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.679884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.679884 (E_RNA) where: Base-Base interactions energy: -294.041 where: short stacking energy: -150.951 Base-Backbone interact. energy: 0.232 local terms energy: -228.870794 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -54.687 flat angles P-C4'-P energy: -30.571 tors. eta vs tors. theta energy: -24.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -485.320768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.320768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.320768 (E_RNA) where: Base-Base interactions energy: -280.481 where: short stacking energy: -136.015 Base-Backbone interact. energy: 0.984 local terms energy: -205.824364 where: bonds (distance) C4'-P energy: -47.932 bonds (distance) P-C4' energy: -61.321 flat angles C4'-P-C4' energy: -50.665 flat angles P-C4'-P energy: -21.316 tors. eta vs tors. theta energy: -24.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -266.575931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.575931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.575931 (E_RNA) where: Base-Base interactions energy: -96.321 where: short stacking energy: -85.440 Base-Backbone interact. energy: 0.836 local terms energy: -171.091547 where: bonds (distance) C4'-P energy: -49.461 bonds (distance) P-C4' energy: -61.677 flat angles C4'-P-C4' energy: -39.815 flat angles P-C4'-P energy: -27.739 tors. eta vs tors. theta energy: 7.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1109.018872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.018872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.018872 (E_RNA) where: Base-Base interactions energy: -761.518 where: short stacking energy: -350.937 Base-Backbone interact. energy: -0.484 local terms energy: -347.017002 where: bonds (distance) C4'-P energy: -63.336 bonds (distance) P-C4' energy: -63.581 flat angles C4'-P-C4' energy: -74.638 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -103.361 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: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1113.061221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.061221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.061221 (E_RNA) where: Base-Base interactions energy: -778.931 where: short stacking energy: -329.786 Base-Backbone interact. energy: -0.849 local terms energy: -333.281730 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -67.031 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: -98.455 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: 344 Temperature: 1.000000 Total energy: -1070.000454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.000454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.000454 (E_RNA) where: Base-Base interactions energy: -746.219 where: short stacking energy: -304.811 Base-Backbone interact. energy: -1.990 local terms energy: -321.791547 where: bonds (distance) C4'-P energy: -59.305 bonds (distance) P-C4' energy: -58.017 flat angles C4'-P-C4' energy: -74.729 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -88.883 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: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -977.964345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.964345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.964345 (E_RNA) where: Base-Base interactions energy: -657.851 where: short stacking energy: -288.024 Base-Backbone interact. energy: -0.828 local terms energy: -319.285424 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -69.135 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -77.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -964.889874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.889874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.889874 (E_RNA) where: Base-Base interactions energy: -653.198 where: short stacking energy: -303.333 Base-Backbone interact. energy: 0.122 local terms energy: -311.814129 where: bonds (distance) C4'-P energy: -59.349 bonds (distance) P-C4' energy: -61.982 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -35.169 tors. eta vs tors. theta energy: -87.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -835.341013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.341013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.341013 (E_RNA) where: Base-Base interactions energy: -548.288 where: short stacking energy: -236.733 Base-Backbone interact. energy: -1.909 local terms energy: -285.143848 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -65.164 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -60.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -862.882676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.882676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.882676 (E_RNA) where: Base-Base interactions energy: -579.347 where: short stacking energy: -247.120 Base-Backbone interact. energy: -0.651 local terms energy: -282.884728 where: bonds (distance) C4'-P energy: -54.266 bonds (distance) P-C4' energy: -62.890 flat angles C4'-P-C4' energy: -51.147 flat angles P-C4'-P energy: -43.745 tors. eta vs tors. theta energy: -70.837 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: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -476.078106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.078106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.078106 (E_RNA) where: Base-Base interactions energy: -260.824 where: short stacking energy: -152.618 Base-Backbone interact. energy: -0.137 local terms energy: -215.116309 where: bonds (distance) C4'-P energy: -52.502 bonds (distance) P-C4' energy: -55.655 flat angles C4'-P-C4' energy: -45.606 flat angles P-C4'-P energy: -42.110 tors. eta vs tors. theta energy: -19.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -410.036014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.036014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.036014 (E_RNA) where: Base-Base interactions energy: -227.077 where: short stacking energy: -115.033 Base-Backbone interact. energy: 0.073 local terms energy: -183.031757 where: bonds (distance) C4'-P energy: -50.619 bonds (distance) P-C4' energy: -61.788 flat angles C4'-P-C4' energy: -32.525 flat angles P-C4'-P energy: -22.326 tors. eta vs tors. theta energy: -15.774 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: 344 Temperature: 1.350000 Total energy: -288.643240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.643240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.643240 (E_RNA) where: Base-Base interactions energy: -105.831 where: short stacking energy: -94.833 Base-Backbone interact. energy: 0.813 local terms energy: -183.624673 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -54.271 flat angles C4'-P-C4' energy: -46.446 flat angles P-C4'-P energy: -19.520 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1119.055486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.055486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.055486 (E_RNA) where: Base-Base interactions energy: -759.483 where: short stacking energy: -327.422 Base-Backbone interact. energy: -2.608 local terms energy: -356.964027 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -80.805 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -100.190 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: 2, replica: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1096.935244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.935244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.935244 (E_RNA) where: Base-Base interactions energy: -750.105 where: short stacking energy: -326.886 Base-Backbone interact. energy: -0.970 local terms energy: -345.860202 where: bonds (distance) C4'-P energy: -64.887 bonds (distance) P-C4' energy: -65.126 flat angles C4'-P-C4' energy: -71.254 flat angles P-C4'-P energy: -49.564 tors. eta vs tors. theta energy: -95.029 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: 345 Temperature: 1.000000 Total energy: -1062.388927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.388927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.388927 (E_RNA) where: Base-Base interactions energy: -738.046 where: short stacking energy: -303.260 Base-Backbone interact. energy: -1.462 local terms energy: -322.880243 where: bonds (distance) C4'-P energy: -55.960 bonds (distance) P-C4' energy: -65.128 flat angles C4'-P-C4' energy: -64.559 flat angles P-C4'-P energy: -54.665 tors. eta vs tors. theta energy: -82.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -988.547416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.547416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.547416 (E_RNA) where: Base-Base interactions energy: -661.488 where: short stacking energy: -304.366 Base-Backbone interact. energy: -1.012 local terms energy: -326.047710 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -89.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -967.832031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.832031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.832031 (E_RNA) where: Base-Base interactions energy: -656.231 where: short stacking energy: -288.977 Base-Backbone interact. energy: -0.040 local terms energy: -311.560590 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -51.710 flat angles C4'-P-C4' energy: -67.367 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -80.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -798.888387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.888387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.888387 (E_RNA) where: Base-Base interactions energy: -526.007 where: short stacking energy: -228.784 Base-Backbone interact. energy: -0.383 local terms energy: -272.498943 where: bonds (distance) C4'-P energy: -59.711 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -57.677 flat angles P-C4'-P energy: -37.045 tors. eta vs tors. theta energy: -59.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -787.733673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.733673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.733673 (E_RNA) where: Base-Base interactions energy: -525.259 where: short stacking energy: -228.327 Base-Backbone interact. energy: 1.961 local terms energy: -264.435581 where: bonds (distance) C4'-P energy: -40.806 bonds (distance) P-C4' energy: -51.251 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -57.888 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: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -476.091087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.091087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.091087 (E_RNA) where: Base-Base interactions energy: -239.915 where: short stacking energy: -133.479 Base-Backbone interact. energy: 0.408 local terms energy: -236.583646 where: bonds (distance) C4'-P energy: -60.720 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -64.575 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -19.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -432.768028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.768028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.768028 (E_RNA) where: Base-Base interactions energy: -220.024 where: short stacking energy: -118.030 Base-Backbone interact. energy: -2.507 local terms energy: -210.237140 where: bonds (distance) C4'-P energy: -66.300 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -54.316 flat angles P-C4'-P energy: -27.267 tors. eta vs tors. theta energy: -2.405 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: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -269.890843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.890843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.890843 (E_RNA) where: Base-Base interactions energy: -94.435 where: short stacking energy: -93.053 Base-Backbone interact. energy: 1.194 local terms energy: -176.650122 where: bonds (distance) C4'-P energy: -45.594 bonds (distance) P-C4' energy: -54.096 flat angles C4'-P-C4' energy: -45.941 flat angles P-C4'-P energy: -24.757 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1124.297510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.297510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.297510 (E_RNA) where: Base-Base interactions energy: -777.212 where: short stacking energy: -339.620 Base-Backbone interact. energy: -0.613 local terms energy: -346.472292 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -54.041 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -100.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1090.155769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.155769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.155769 (E_RNA) where: Base-Base interactions energy: -742.036 where: short stacking energy: -324.078 Base-Backbone interact. energy: -0.726 local terms energy: -347.393465 where: bonds (distance) C4'-P energy: -56.635 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -96.597 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: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1053.254461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.254461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.254461 (E_RNA) where: Base-Base interactions energy: -733.144 where: short stacking energy: -303.519 Base-Backbone interact. energy: 2.435 local terms energy: -322.545155 where: bonds (distance) C4'-P energy: -63.605 bonds (distance) P-C4' energy: -63.403 flat angles C4'-P-C4' energy: -72.316 flat angles P-C4'-P energy: -37.969 tors. eta vs tors. theta energy: -85.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -992.788443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.788443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.788443 (E_RNA) where: Base-Base interactions energy: -680.056 where: short stacking energy: -289.695 Base-Backbone interact. energy: -0.090 local terms energy: -312.642439 where: bonds (distance) C4'-P energy: -54.225 bonds (distance) P-C4' energy: -65.433 flat angles C4'-P-C4' energy: -69.695 flat angles P-C4'-P energy: -39.338 tors. eta vs tors. theta energy: -83.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -907.647124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.647124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.647124 (E_RNA) where: Base-Base interactions energy: -604.826 where: short stacking energy: -261.902 Base-Backbone interact. energy: -1.553 local terms energy: -301.267902 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -78.844 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: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -778.484154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.484154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.484154 (E_RNA) where: Base-Base interactions energy: -502.649 where: short stacking energy: -233.973 Base-Backbone interact. energy: -1.921 local terms energy: -273.914304 where: bonds (distance) C4'-P energy: -56.738 bonds (distance) P-C4' energy: -58.331 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -30.684 tors. eta vs tors. theta energy: -62.551 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: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -778.998213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.998213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.998213 (E_RNA) where: Base-Base interactions energy: -512.529 where: short stacking energy: -237.449 Base-Backbone interact. energy: -1.808 local terms energy: -264.661006 where: bonds (distance) C4'-P energy: -38.136 bonds (distance) P-C4' energy: -57.489 flat angles C4'-P-C4' energy: -64.061 flat angles P-C4'-P energy: -38.570 tors. eta vs tors. theta energy: -66.405 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: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -480.265587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.265587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.265587 (E_RNA) where: Base-Base interactions energy: -268.842 where: short stacking energy: -143.466 Base-Backbone interact. energy: 4.127 local terms energy: -215.550693 where: bonds (distance) C4'-P energy: -58.548 bonds (distance) P-C4' energy: -62.050 flat angles C4'-P-C4' energy: -48.874 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -8.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -439.452661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.452661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.452661 (E_RNA) where: Base-Base interactions energy: -237.230 where: short stacking energy: -129.412 Base-Backbone interact. energy: -0.755 local terms energy: -201.467315 where: bonds (distance) C4'-P energy: -50.413 bonds (distance) P-C4' energy: -67.251 flat angles C4'-P-C4' energy: -46.568 flat angles P-C4'-P energy: -28.608 tors. eta vs tors. theta energy: -8.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -274.822686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.822686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.822686 (E_RNA) where: Base-Base interactions energy: -99.894 where: short stacking energy: -83.233 Base-Backbone interact. energy: 0.480 local terms energy: -175.409307 where: bonds (distance) C4'-P energy: -54.165 bonds (distance) P-C4' energy: -60.941 flat angles C4'-P-C4' energy: -50.068 flat angles P-C4'-P energy: -23.208 tors. eta vs tors. theta energy: 12.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1125.377276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.377276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.377276 (E_RNA) where: Base-Base interactions energy: -787.412 where: short stacking energy: -331.088 Base-Backbone interact. energy: -1.250 local terms energy: -336.715405 where: bonds (distance) C4'-P energy: -71.037 bonds (distance) P-C4' energy: -60.602 flat angles C4'-P-C4' energy: -64.421 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -91.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1077.582301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.582301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.582301 (E_RNA) where: Base-Base interactions energy: -719.292 where: short stacking energy: -325.032 Base-Backbone interact. energy: -2.229 local terms energy: -356.061870 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -74.353 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -39.022 tors. eta vs tors. theta energy: -100.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1038.710321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.710321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.710321 (E_RNA) where: Base-Base interactions energy: -706.272 where: short stacking energy: -278.008 Base-Backbone interact. energy: -3.125 local terms energy: -329.312679 where: bonds (distance) C4'-P energy: -52.589 bonds (distance) P-C4' energy: -70.840 flat angles C4'-P-C4' energy: -71.245 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -83.234 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: 347 Temperature: 1.050000 Total energy: -978.724125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.724125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.724125 (E_RNA) where: Base-Base interactions energy: -669.262 where: short stacking energy: -289.298 Base-Backbone interact. energy: -1.210 local terms energy: -308.252752 where: bonds (distance) C4'-P energy: -53.965 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -84.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -913.096320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.096320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.096320 (E_RNA) where: Base-Base interactions energy: -604.507 where: short stacking energy: -275.607 Base-Backbone interact. energy: -1.194 local terms energy: -307.394936 where: bonds (distance) C4'-P energy: -61.320 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -60.032 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -78.765 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: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -802.383991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.383991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.383991 (E_RNA) where: Base-Base interactions energy: -536.353 where: short stacking energy: -228.920 Base-Backbone interact. energy: -1.268 local terms energy: -264.762485 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -57.456 flat angles C4'-P-C4' energy: -52.065 flat angles P-C4'-P energy: -46.813 tors. eta vs tors. theta energy: -55.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -763.948127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.948127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.948127 (E_RNA) where: Base-Base interactions energy: -499.227 where: short stacking energy: -220.330 Base-Backbone interact. energy: -0.453 local terms energy: -264.268522 where: bonds (distance) C4'-P energy: -49.165 bonds (distance) P-C4' energy: -49.529 flat angles C4'-P-C4' energy: -61.380 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -59.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -550.488283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.488283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.488283 (E_RNA) where: Base-Base interactions energy: -324.159 where: short stacking energy: -168.839 Base-Backbone interact. energy: -1.111 local terms energy: -225.218350 where: bonds (distance) C4'-P energy: -58.754 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -52.704 flat angles P-C4'-P energy: -21.609 tors. eta vs tors. theta energy: -34.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -431.580708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.580708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.580708 (E_RNA) where: Base-Base interactions energy: -241.726 where: short stacking energy: -126.019 Base-Backbone interact. energy: -0.238 local terms energy: -189.617194 where: bonds (distance) C4'-P energy: -50.404 bonds (distance) P-C4' energy: -52.999 flat angles C4'-P-C4' energy: -43.447 flat angles P-C4'-P energy: -34.236 tors. eta vs tors. theta energy: -8.530 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: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -260.352207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.352207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.352207 (E_RNA) where: Base-Base interactions energy: -94.915 where: short stacking energy: -94.241 Base-Backbone interact. energy: -0.655 local terms energy: -164.782186 where: bonds (distance) C4'-P energy: -34.752 bonds (distance) P-C4' energy: -48.072 flat angles C4'-P-C4' energy: -47.092 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: 4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1141.427743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.427743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.427743 (E_RNA) where: Base-Base interactions energy: -798.612 where: short stacking energy: -348.567 Base-Backbone interact. energy: 2.141 local terms energy: -344.957048 where: bonds (distance) C4'-P energy: -53.172 bonds (distance) P-C4' energy: -68.371 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -48.447 tors. eta vs tors. theta energy: -101.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1088.425549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.425549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.425549 (E_RNA) where: Base-Base interactions energy: -741.633 where: short stacking energy: -305.456 Base-Backbone interact. energy: 1.336 local terms energy: -348.128569 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -65.170 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -48.485 tors. eta vs tors. theta energy: -94.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1044.926337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.926337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.926337 (E_RNA) where: Base-Base interactions energy: -735.641 where: short stacking energy: -307.056 Base-Backbone interact. energy: 1.805 local terms energy: -311.090196 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -53.957 flat angles C4'-P-C4' energy: -64.978 flat angles P-C4'-P energy: -44.739 tors. eta vs tors. theta energy: -83.408 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: 348 Temperature: 1.050000 Total energy: -983.417474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.417474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.417474 (E_RNA) where: Base-Base interactions energy: -668.792 where: short stacking energy: -294.598 Base-Backbone interact. energy: -0.568 local terms energy: -314.057000 where: bonds (distance) C4'-P energy: -60.395 bonds (distance) P-C4' energy: -53.544 flat angles C4'-P-C4' energy: -69.134 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -85.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -974.226190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.226190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.226190 (E_RNA) where: Base-Base interactions energy: -672.029 where: short stacking energy: -293.955 Base-Backbone interact. energy: -1.465 local terms energy: -300.732820 where: bonds (distance) C4'-P energy: -56.322 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -66.217 flat angles P-C4'-P energy: -41.172 tors. eta vs tors. theta energy: -85.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -801.488912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.488912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.488912 (E_RNA) where: Base-Base interactions energy: -504.146 where: short stacking energy: -230.149 Base-Backbone interact. energy: -1.345 local terms energy: -295.997712 where: bonds (distance) C4'-P energy: -46.219 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -71.251 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -67.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -764.791728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.791728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.791728 (E_RNA) where: Base-Base interactions energy: -516.177 where: short stacking energy: -225.644 Base-Backbone interact. energy: -0.609 local terms energy: -248.006091 where: bonds (distance) C4'-P energy: -47.321 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -41.639 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -48.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -556.095297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.095297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.095297 (E_RNA) where: Base-Base interactions energy: -334.317 where: short stacking energy: -168.481 Base-Backbone interact. energy: 1.156 local terms energy: -222.934366 where: bonds (distance) C4'-P energy: -42.925 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -53.802 flat angles P-C4'-P energy: -37.070 tors. eta vs tors. theta energy: -23.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -433.246165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.246165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.246165 (E_RNA) where: Base-Base interactions energy: -250.736 where: short stacking energy: -135.020 Base-Backbone interact. energy: 0.223 local terms energy: -182.733594 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -42.815 flat angles C4'-P-C4' energy: -42.542 flat angles P-C4'-P energy: -29.172 tors. eta vs tors. theta energy: -11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -279.249677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.249677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.249677 (E_RNA) where: Base-Base interactions energy: -100.090 where: short stacking energy: -62.260 Base-Backbone interact. energy: -2.656 local terms energy: -176.503058 where: bonds (distance) C4'-P energy: -59.697 bonds (distance) P-C4' energy: -49.663 flat angles C4'-P-C4' energy: -50.867 flat angles P-C4'-P energy: -27.932 tors. eta vs tors. theta energy: 11.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1131.534144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.534144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.534144 (E_RNA) where: Base-Base interactions energy: -783.845 where: short stacking energy: -342.236 Base-Backbone interact. energy: -0.784 local terms energy: -346.904923 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -61.880 flat angles C4'-P-C4' energy: -70.881 flat angles P-C4'-P energy: -49.474 tors. eta vs tors. theta energy: -97.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1095.958942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.958942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.958942 (E_RNA) where: Base-Base interactions energy: -746.954 where: short stacking energy: -334.143 Base-Backbone interact. energy: -1.363 local terms energy: -347.641062 where: bonds (distance) C4'-P energy: -60.165 bonds (distance) P-C4' energy: -61.402 flat angles C4'-P-C4' energy: -71.988 flat angles P-C4'-P energy: -51.176 tors. eta vs tors. theta energy: -102.909 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: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1067.571222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.571222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.571222 (E_RNA) where: Base-Base interactions energy: -734.276 where: short stacking energy: -321.684 Base-Backbone interact. energy: -1.050 local terms energy: -332.245789 where: bonds (distance) C4'-P energy: -51.949 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -56.293 tors. eta vs tors. theta energy: -91.899 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: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -993.536745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.536745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.536745 (E_RNA) where: Base-Base interactions energy: -696.259 where: short stacking energy: -294.286 Base-Backbone interact. energy: 2.608 local terms energy: -299.885690 where: bonds (distance) C4'-P energy: -57.569 bonds (distance) P-C4' energy: -54.261 flat angles C4'-P-C4' energy: -59.297 flat angles P-C4'-P energy: -44.371 tors. eta vs tors. theta energy: -84.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -907.649633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.649633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.649633 (E_RNA) where: Base-Base interactions energy: -620.987 where: short stacking energy: -277.176 Base-Backbone interact. energy: -0.018 local terms energy: -286.644851 where: bonds (distance) C4'-P energy: -54.688 bonds (distance) P-C4' energy: -57.287 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -41.691 tors. eta vs tors. theta energy: -73.731 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: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -825.968844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.968844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.968844 (E_RNA) where: Base-Base interactions energy: -533.739 where: short stacking energy: -239.277 Base-Backbone interact. energy: -1.596 local terms energy: -290.633459 where: bonds (distance) C4'-P energy: -49.713 bonds (distance) P-C4' energy: -62.528 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -67.287 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: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -721.623098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.623098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.623098 (E_RNA) where: Base-Base interactions energy: -466.593 where: short stacking energy: -214.548 Base-Backbone interact. energy: 0.214 local terms energy: -255.244047 where: bonds (distance) C4'-P energy: -68.222 bonds (distance) P-C4' energy: -47.864 flat angles C4'-P-C4' energy: -61.743 flat angles P-C4'-P energy: -32.899 tors. eta vs tors. theta energy: -44.515 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: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -553.499413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.499413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.499413 (E_RNA) where: Base-Base interactions energy: -334.218 where: short stacking energy: -160.504 Base-Backbone interact. energy: 2.889 local terms energy: -222.169855 where: bonds (distance) C4'-P energy: -46.414 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: -26.636 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: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -390.459243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.459243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.459243 (E_RNA) where: Base-Base interactions energy: -218.131 where: short stacking energy: -108.132 Base-Backbone interact. energy: -1.216 local terms energy: -171.112080 where: bonds (distance) C4'-P energy: -50.084 bonds (distance) P-C4' energy: -56.821 flat angles C4'-P-C4' energy: -29.437 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: 3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -299.167879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.167879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.167879 (E_RNA) where: Base-Base interactions energy: -127.102 where: short stacking energy: -78.207 Base-Backbone interact. energy: 0.055 local terms energy: -172.120686 where: bonds (distance) C4'-P energy: -45.694 bonds (distance) P-C4' energy: -55.877 flat angles C4'-P-C4' energy: -57.311 flat angles P-C4'-P energy: -13.926 tors. eta vs tors. theta energy: 0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1162.424496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.424496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.424496 (E_RNA) where: Base-Base interactions energy: -803.396 where: short stacking energy: -347.076 Base-Backbone interact. energy: -0.902 local terms energy: -358.127045 where: bonds (distance) C4'-P energy: -65.093 bonds (distance) P-C4' energy: -68.725 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -102.910 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1091.274468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.274468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.274468 (E_RNA) where: Base-Base interactions energy: -748.080 where: short stacking energy: -320.987 Base-Backbone interact. energy: -1.217 local terms energy: -341.977561 where: bonds (distance) C4'-P energy: -64.668 bonds (distance) P-C4' energy: -68.046 flat angles C4'-P-C4' energy: -68.003 flat angles P-C4'-P energy: -43.094 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: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1057.228484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.228484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.228484 (E_RNA) where: Base-Base interactions energy: -730.252 where: short stacking energy: -292.189 Base-Backbone interact. energy: -1.416 local terms energy: -325.560626 where: bonds (distance) C4'-P energy: -48.763 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -75.453 flat angles P-C4'-P energy: -47.046 tors. eta vs tors. theta energy: -86.258 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: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -967.100652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.100652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.100652 (E_RNA) where: Base-Base interactions energy: -659.655 where: short stacking energy: -294.943 Base-Backbone interact. energy: -0.257 local terms energy: -307.188125 where: bonds (distance) C4'-P energy: -58.297 bonds (distance) P-C4' energy: -63.006 flat angles C4'-P-C4' energy: -52.417 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -80.048 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -905.491314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.491314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.491314 (E_RNA) where: Base-Base interactions energy: -616.422 where: short stacking energy: -268.708 Base-Backbone interact. energy: -0.480 local terms energy: -288.589204 where: bonds (distance) C4'-P energy: -56.906 bonds (distance) P-C4' energy: -54.132 flat angles C4'-P-C4' energy: -65.465 flat angles P-C4'-P energy: -41.531 tors. eta vs tors. theta energy: -70.555 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: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -825.965778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.965778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.965778 (E_RNA) where: Base-Base interactions energy: -565.876 where: short stacking energy: -250.236 Base-Backbone interact. energy: -0.792 local terms energy: -259.297882 where: bonds (distance) C4'-P energy: -52.873 bonds (distance) P-C4' energy: -52.899 flat angles C4'-P-C4' energy: -63.130 flat angles P-C4'-P energy: -40.945 tors. eta vs tors. theta energy: -49.450 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: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -682.293284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.293284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.293284 (E_RNA) where: Base-Base interactions energy: -426.527 where: short stacking energy: -196.806 Base-Backbone interact. energy: -1.302 local terms energy: -254.464521 where: bonds (distance) C4'-P energy: -50.260 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -56.093 flat angles P-C4'-P energy: -39.334 tors. eta vs tors. theta energy: -49.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -540.884114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.884114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.884114 (E_RNA) where: Base-Base interactions energy: -315.383 where: short stacking energy: -133.259 Base-Backbone interact. energy: -1.220 local terms energy: -224.281049 where: bonds (distance) C4'-P energy: -53.866 bonds (distance) P-C4' energy: -55.394 flat angles C4'-P-C4' energy: -60.609 flat angles P-C4'-P energy: -27.863 tors. eta vs tors. theta energy: -26.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -404.267516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.267516 (E_RNA) where: Base-Base interactions energy: -191.039 where: short stacking energy: -124.520 Base-Backbone interact. energy: -1.400 local terms energy: -211.828714 where: bonds (distance) C4'-P energy: -58.466 bonds (distance) P-C4' energy: -57.180 flat angles C4'-P-C4' energy: -56.523 flat angles P-C4'-P energy: -30.140 tors. eta vs tors. theta energy: -9.521 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -267.705167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.705167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.705167 (E_RNA) where: Base-Base interactions energy: -76.766 where: short stacking energy: -58.547 Base-Backbone interact. energy: -2.340 local terms energy: -188.599223 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -58.525 flat angles P-C4'-P energy: -29.801 tors. eta vs tors. theta energy: 13.459 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: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1150.473816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.473816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.473816 (E_RNA) where: Base-Base interactions energy: -792.066 where: short stacking energy: -335.510 Base-Backbone interact. energy: 0.831 local terms energy: -359.238449 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -69.732 flat angles P-C4'-P energy: -53.158 tors. eta vs tors. theta energy: -103.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1109.887058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.887058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.887058 (E_RNA) where: Base-Base interactions energy: -757.766 where: short stacking energy: -334.414 Base-Backbone interact. energy: -0.680 local terms energy: -351.440835 where: bonds (distance) C4'-P energy: -65.055 bonds (distance) P-C4' energy: -62.129 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -47.354 tors. eta vs tors. theta energy: -102.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1037.711683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.711683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.711683 (E_RNA) where: Base-Base interactions energy: -711.024 where: short stacking energy: -303.738 Base-Backbone interact. energy: 0.014 local terms energy: -326.702342 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -55.800 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -42.867 tors. eta vs tors. theta energy: -86.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -980.775255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.775255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.775255 (E_RNA) where: Base-Base interactions energy: -672.820 where: short stacking energy: -279.811 Base-Backbone interact. energy: -0.549 local terms energy: -307.406214 where: bonds (distance) C4'-P energy: -62.908 bonds (distance) P-C4' energy: -61.193 flat angles C4'-P-C4' energy: -54.626 flat angles P-C4'-P energy: -41.790 tors. eta vs tors. theta energy: -86.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -936.999395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.999395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.999395 (E_RNA) where: Base-Base interactions energy: -640.086 where: short stacking energy: -296.592 Base-Backbone interact. energy: -0.497 local terms energy: -296.416452 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -48.572 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -40.359 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: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -873.682807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.682807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.682807 (E_RNA) where: Base-Base interactions energy: -575.536 where: short stacking energy: -260.459 Base-Backbone interact. energy: -1.367 local terms energy: -296.780656 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -67.649 flat angles C4'-P-C4' energy: -62.185 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -70.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -694.006359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.006359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.006359 (E_RNA) where: Base-Base interactions energy: -417.851 where: short stacking energy: -205.138 Base-Backbone interact. energy: 1.899 local terms energy: -278.055112 where: bonds (distance) C4'-P energy: -50.885 bonds (distance) P-C4' energy: -68.536 flat angles C4'-P-C4' energy: -67.969 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -47.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -525.523564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.523564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.523564 (E_RNA) where: Base-Base interactions energy: -307.462 where: short stacking energy: -183.314 Base-Backbone interact. energy: 1.183 local terms energy: -219.245034 where: bonds (distance) C4'-P energy: -46.132 bonds (distance) P-C4' energy: -55.713 flat angles C4'-P-C4' energy: -47.606 flat angles P-C4'-P energy: -38.742 tors. eta vs tors. theta energy: -31.052 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -387.994260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.994260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.994260 (E_RNA) where: Base-Base interactions energy: -189.092 where: short stacking energy: -111.561 Base-Backbone interact. energy: 2.800 local terms energy: -201.703051 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -59.098 flat angles C4'-P-C4' energy: -49.941 flat angles P-C4'-P energy: -34.582 tors. eta vs tors. theta energy: 2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -270.430710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.430710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.430710 (E_RNA) where: Base-Base interactions energy: -86.628 where: short stacking energy: -59.902 Base-Backbone interact. energy: -1.964 local terms energy: -181.838130 where: bonds (distance) C4'-P energy: -48.695 bonds (distance) P-C4' energy: -72.780 flat angles C4'-P-C4' energy: -47.988 flat angles P-C4'-P energy: -32.557 tors. eta vs tors. theta energy: 20.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1145.066779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.066779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.066779 (E_RNA) where: Base-Base interactions energy: -792.357 where: short stacking energy: -331.234 Base-Backbone interact. energy: -2.126 local terms energy: -350.583080 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -65.194 flat angles C4'-P-C4' energy: -75.436 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -96.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1109.275956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.275956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.275956 (E_RNA) where: Base-Base interactions energy: -760.211 where: short stacking energy: -309.330 Base-Backbone interact. energy: -1.901 local terms energy: -347.164123 where: bonds (distance) C4'-P energy: -65.760 bonds (distance) P-C4' energy: -67.713 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -98.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1048.183937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.183937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.183937 (E_RNA) where: Base-Base interactions energy: -732.339 where: short stacking energy: -310.294 Base-Backbone interact. energy: -2.622 local terms energy: -313.222267 where: bonds (distance) C4'-P energy: -55.158 bonds (distance) P-C4' energy: -55.047 flat angles C4'-P-C4' energy: -68.698 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -81.011 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: 352 Temperature: 1.050000 Total energy: -979.649978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.649978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.649978 (E_RNA) where: Base-Base interactions energy: -663.364 where: short stacking energy: -297.256 Base-Backbone interact. energy: 0.480 local terms energy: -316.765369 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -58.160 flat angles C4'-P-C4' energy: -65.391 flat angles P-C4'-P energy: -34.999 tors. eta vs tors. theta energy: -90.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -957.142444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.142444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.142444 (E_RNA) where: Base-Base interactions energy: -661.472 where: short stacking energy: -287.790 Base-Backbone interact. energy: 3.430 local terms energy: -299.100028 where: bonds (distance) C4'-P energy: -46.242 bonds (distance) P-C4' energy: -57.636 flat angles C4'-P-C4' energy: -67.141 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -77.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -834.920211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.920211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.920211 (E_RNA) where: Base-Base interactions energy: -555.674 where: short stacking energy: -234.633 Base-Backbone interact. energy: -1.151 local terms energy: -278.095039 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -57.741 flat angles C4'-P-C4' energy: -56.259 flat angles P-C4'-P energy: -36.265 tors. eta vs tors. theta energy: -67.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -673.313931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.313931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.313931 (E_RNA) where: Base-Base interactions energy: -429.471 where: short stacking energy: -195.562 Base-Backbone interact. energy: -0.533 local terms energy: -243.310169 where: bonds (distance) C4'-P energy: -51.507 bonds (distance) P-C4' energy: -55.411 flat angles C4'-P-C4' energy: -54.948 flat angles P-C4'-P energy: -37.176 tors. eta vs tors. theta energy: -44.268 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: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -480.810407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.810407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.810407 (E_RNA) where: Base-Base interactions energy: -258.601 where: short stacking energy: -131.312 Base-Backbone interact. energy: 0.137 local terms energy: -222.347150 where: bonds (distance) C4'-P energy: -51.890 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -54.509 flat angles P-C4'-P energy: -31.983 tors. eta vs tors. theta energy: -22.408 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: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -391.388209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.388209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.388209 (E_RNA) where: Base-Base interactions energy: -202.529 where: short stacking energy: -127.670 Base-Backbone interact. energy: -1.107 local terms energy: -187.752447 where: bonds (distance) C4'-P energy: -55.397 bonds (distance) P-C4' energy: -69.517 flat angles C4'-P-C4' energy: -34.156 flat angles P-C4'-P energy: -19.459 tors. eta vs tors. theta energy: -9.224 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: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -297.720154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.720154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.720154 (E_RNA) where: Base-Base interactions energy: -113.902 where: short stacking energy: -98.164 Base-Backbone interact. energy: -0.543 local terms energy: -183.275676 where: bonds (distance) C4'-P energy: -50.828 bonds (distance) P-C4' energy: -55.198 flat angles C4'-P-C4' energy: -54.167 flat angles P-C4'-P energy: -16.875 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1157.146877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.146877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.146877 (E_RNA) where: Base-Base interactions energy: -815.068 where: short stacking energy: -351.191 Base-Backbone interact. energy: 0.316 local terms energy: -342.394280 where: bonds (distance) C4'-P energy: -60.553 bonds (distance) P-C4' energy: -53.912 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -108.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1096.451063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.451063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.451063 (E_RNA) where: Base-Base interactions energy: -740.722 where: short stacking energy: -330.213 Base-Backbone interact. energy: -1.793 local terms energy: -353.936761 where: bonds (distance) C4'-P energy: -66.875 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1042.215323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.215323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.215323 (E_RNA) where: Base-Base interactions energy: -722.862 where: short stacking energy: -295.123 Base-Backbone interact. energy: 1.913 local terms energy: -321.266243 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -59.137 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -47.173 tors. eta vs tors. theta energy: -87.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -981.045988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.045988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.045988 (E_RNA) where: Base-Base interactions energy: -656.476 where: short stacking energy: -292.728 Base-Backbone interact. energy: -0.185 local terms energy: -324.385495 where: bonds (distance) C4'-P energy: -51.324 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -75.150 flat angles P-C4'-P energy: -45.983 tors. eta vs tors. theta energy: -82.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -943.275206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.275206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.275206 (E_RNA) where: Base-Base interactions energy: -638.651 where: short stacking energy: -279.187 Base-Backbone interact. energy: -0.797 local terms energy: -303.827230 where: bonds (distance) C4'-P energy: -60.502 bonds (distance) P-C4' energy: -52.638 flat angles C4'-P-C4' energy: -66.204 flat angles P-C4'-P energy: -37.422 tors. eta vs tors. theta energy: -87.062 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -829.732285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.732285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.732285 (E_RNA) where: Base-Base interactions energy: -568.964 where: short stacking energy: -245.668 Base-Backbone interact. energy: -1.404 local terms energy: -259.364150 where: bonds (distance) C4'-P energy: -66.078 bonds (distance) P-C4' energy: -50.997 flat angles C4'-P-C4' energy: -59.009 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: -49.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -705.755929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.755929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.755929 (E_RNA) where: Base-Base interactions energy: -429.362 where: short stacking energy: -191.269 Base-Backbone interact. energy: -1.097 local terms energy: -275.296864 where: bonds (distance) C4'-P energy: -62.085 bonds (distance) P-C4' energy: -55.815 flat angles C4'-P-C4' energy: -55.641 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -62.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -482.708338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.708338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.708338 (E_RNA) where: Base-Base interactions energy: -255.578 where: short stacking energy: -116.417 Base-Backbone interact. energy: -1.733 local terms energy: -225.396916 where: bonds (distance) C4'-P energy: -52.221 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -57.169 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -15.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -362.463929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.463929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.463929 (E_RNA) where: Base-Base interactions energy: -171.296 where: short stacking energy: -116.638 Base-Backbone interact. energy: -0.304 local terms energy: -190.864108 where: bonds (distance) C4'-P energy: -45.303 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -44.970 flat angles P-C4'-P energy: -30.168 tors. eta vs tors. theta energy: -7.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -311.068145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.068145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.068145 (E_RNA) where: Base-Base interactions energy: -141.029 where: short stacking energy: -67.381 Base-Backbone interact. energy: -1.339 local terms energy: -168.699877 where: bonds (distance) C4'-P energy: -49.746 bonds (distance) P-C4' energy: -62.761 flat angles C4'-P-C4' energy: -34.294 flat angles P-C4'-P energy: -36.310 tors. eta vs tors. theta energy: 14.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1141.881326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.881326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.881326 (E_RNA) where: Base-Base interactions energy: -796.063 where: short stacking energy: -339.455 Base-Backbone interact. energy: 0.410 local terms energy: -346.228090 where: bonds (distance) C4'-P energy: -64.755 bonds (distance) P-C4' energy: -68.982 flat angles C4'-P-C4' energy: -65.598 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -102.194 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: 354 Temperature: 0.950000 Total energy: -1072.566083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.566083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.566083 (E_RNA) where: Base-Base interactions energy: -728.016 where: short stacking energy: -312.273 Base-Backbone interact. energy: -1.397 local terms energy: -343.152850 where: bonds (distance) C4'-P energy: -65.407 bonds (distance) P-C4' energy: -55.194 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -91.809 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: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1050.594235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.594235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.594235 (E_RNA) where: Base-Base interactions energy: -737.842 where: short stacking energy: -301.994 Base-Backbone interact. energy: 9.736 local terms energy: -322.488066 where: bonds (distance) C4'-P energy: -54.377 bonds (distance) P-C4' energy: -63.287 flat angles C4'-P-C4' energy: -67.498 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -86.681 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: 354 Temperature: 1.050000 Total energy: -955.184369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.184369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.184369 (E_RNA) where: Base-Base interactions energy: -658.882 where: short stacking energy: -284.387 Base-Backbone interact. energy: 1.227 local terms energy: -297.529351 where: bonds (distance) C4'-P energy: -50.035 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -65.205 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: -86.842 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: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -967.071135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.071135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.071135 (E_RNA) where: Base-Base interactions energy: -670.971 where: short stacking energy: -272.709 Base-Backbone interact. energy: -1.307 local terms energy: -294.792461 where: bonds (distance) C4'-P energy: -49.410 bonds (distance) P-C4' energy: -55.056 flat angles C4'-P-C4' energy: -65.564 flat angles P-C4'-P energy: -42.214 tors. eta vs tors. theta energy: -82.547 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: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -825.663139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.663139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.663139 (E_RNA) where: Base-Base interactions energy: -558.684 where: short stacking energy: -247.318 Base-Backbone interact. energy: 0.395 local terms energy: -267.374260 where: bonds (distance) C4'-P energy: -44.960 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -58.155 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -62.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -685.211980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.211980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.211980 (E_RNA) where: Base-Base interactions energy: -428.075 where: short stacking energy: -211.741 Base-Backbone interact. energy: -0.964 local terms energy: -256.172796 where: bonds (distance) C4'-P energy: -49.762 bonds (distance) P-C4' energy: -59.916 flat angles C4'-P-C4' energy: -65.708 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -44.527 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -491.408577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.408577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.408577 (E_RNA) where: Base-Base interactions energy: -283.149 where: short stacking energy: -137.583 Base-Backbone interact. energy: 0.090 local terms energy: -208.349223 where: bonds (distance) C4'-P energy: -50.011 bonds (distance) P-C4' energy: -57.591 flat angles C4'-P-C4' energy: -51.951 flat angles P-C4'-P energy: -33.868 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -366.284005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.284005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.284005 (E_RNA) where: Base-Base interactions energy: -159.880 where: short stacking energy: -94.580 Base-Backbone interact. energy: -0.251 local terms energy: -206.152584 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -62.460 flat angles C4'-P-C4' energy: -49.583 flat angles P-C4'-P energy: -34.932 tors. eta vs tors. theta energy: 1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -284.991589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.991589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.991589 (E_RNA) where: Base-Base interactions energy: -125.557 where: short stacking energy: -78.414 Base-Backbone interact. energy: -2.108 local terms energy: -157.326661 where: bonds (distance) C4'-P energy: -51.307 bonds (distance) P-C4' energy: -50.372 flat angles C4'-P-C4' energy: -51.672 flat angles P-C4'-P energy: -16.077 tors. eta vs tors. theta energy: 12.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1147.537492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.537492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.537492 (E_RNA) where: Base-Base interactions energy: -797.850 where: short stacking energy: -334.142 Base-Backbone interact. energy: -0.363 local terms energy: -349.323817 where: bonds (distance) C4'-P energy: -66.639 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -51.165 tors. eta vs tors. theta energy: -99.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1085.609844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.609844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.609844 (E_RNA) where: Base-Base interactions energy: -747.958 where: short stacking energy: -325.597 Base-Backbone interact. energy: -4.774 local terms energy: -332.877825 where: bonds (distance) C4'-P energy: -64.386 bonds (distance) P-C4' energy: -71.189 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: -87.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1082.311315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.311315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.311315 (E_RNA) where: Base-Base interactions energy: -755.584 where: short stacking energy: -316.091 Base-Backbone interact. energy: -2.238 local terms energy: -324.490249 where: bonds (distance) C4'-P energy: -51.139 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -71.328 flat angles P-C4'-P energy: -53.340 tors. eta vs tors. theta energy: -95.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -970.119853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.119853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.119853 (E_RNA) where: Base-Base interactions energy: -662.821 where: short stacking energy: -284.098 Base-Backbone interact. energy: 0.688 local terms energy: -307.986989 where: bonds (distance) C4'-P energy: -56.630 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -71.863 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -78.609 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -946.393275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.393275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.393275 (E_RNA) where: Base-Base interactions energy: -631.832 where: short stacking energy: -290.306 Base-Backbone interact. energy: 0.029 local terms energy: -314.590703 where: bonds (distance) C4'-P energy: -61.819 bonds (distance) P-C4' energy: -52.556 flat angles C4'-P-C4' energy: -69.299 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -88.108 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: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -828.649092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.649092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.649092 (E_RNA) where: Base-Base interactions energy: -542.968 where: short stacking energy: -236.224 Base-Backbone interact. energy: -1.007 local terms energy: -284.674222 where: bonds (distance) C4'-P energy: -56.264 bonds (distance) P-C4' energy: -71.612 flat angles C4'-P-C4' energy: -65.555 flat angles P-C4'-P energy: -35.833 tors. eta vs tors. theta energy: -55.411 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: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -683.927225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.927225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.927225 (E_RNA) where: Base-Base interactions energy: -427.893 where: short stacking energy: -201.409 Base-Backbone interact. energy: 0.227 local terms energy: -256.261512 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -46.492 flat angles C4'-P-C4' energy: -62.853 flat angles P-C4'-P energy: -39.212 tors. eta vs tors. theta energy: -51.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -503.617331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.617331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.617331 (E_RNA) where: Base-Base interactions energy: -263.337 where: short stacking energy: -137.001 Base-Backbone interact. energy: -1.143 local terms energy: -239.138032 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -65.911 flat angles C4'-P-C4' energy: -34.609 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: -26.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -400.142823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.142823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.142823 (E_RNA) where: Base-Base interactions energy: -180.021 where: short stacking energy: -115.565 Base-Backbone interact. energy: -2.432 local terms energy: -217.689837 where: bonds (distance) C4'-P energy: -61.619 bonds (distance) P-C4' energy: -61.952 flat angles C4'-P-C4' energy: -56.738 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -3.459 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: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -281.066622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.066622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.066622 (E_RNA) where: Base-Base interactions energy: -89.289 where: short stacking energy: -80.191 Base-Backbone interact. energy: -1.102 local terms energy: -190.675938 where: bonds (distance) C4'-P energy: -58.047 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -50.201 flat angles P-C4'-P energy: -33.062 tors. eta vs tors. theta energy: 8.679 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1153.253957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.253957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.253957 (E_RNA) where: Base-Base interactions energy: -790.702 where: short stacking energy: -350.536 Base-Backbone interact. energy: -0.416 local terms energy: -362.136572 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -73.203 flat angles C4'-P-C4' energy: -78.849 flat angles P-C4'-P energy: -39.527 tors. eta vs tors. theta energy: -100.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1074.367303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.367303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.367303 (E_RNA) where: Base-Base interactions energy: -746.335 where: short stacking energy: -295.995 Base-Backbone interact. energy: 0.271 local terms energy: -328.303010 where: bonds (distance) C4'-P energy: -61.724 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -68.638 flat angles P-C4'-P energy: -52.727 tors. eta vs tors. theta energy: -81.999 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: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1074.263172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.263172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.263172 (E_RNA) where: Base-Base interactions energy: -728.764 where: short stacking energy: -324.845 Base-Backbone interact. energy: 0.939 local terms energy: -346.438576 where: bonds (distance) C4'-P energy: -64.634 bonds (distance) P-C4' energy: -54.635 flat angles C4'-P-C4' energy: -73.047 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -98.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1003.126939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.126939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.126939 (E_RNA) where: Base-Base interactions energy: -695.269 where: short stacking energy: -275.648 Base-Backbone interact. energy: -1.121 local terms energy: -306.736110 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -57.624 flat angles C4'-P-C4' energy: -67.970 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: -82.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -941.041700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.041700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.041700 (E_RNA) where: Base-Base interactions energy: -629.929 where: short stacking energy: -271.544 Base-Backbone interact. energy: -0.213 local terms energy: -310.899796 where: bonds (distance) C4'-P energy: -60.070 bonds (distance) P-C4' energy: -56.907 flat angles C4'-P-C4' energy: -66.168 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -78.049 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: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -825.287038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.287038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.287038 (E_RNA) where: Base-Base interactions energy: -539.397 where: short stacking energy: -250.411 Base-Backbone interact. energy: -2.314 local terms energy: -283.575879 where: bonds (distance) C4'-P energy: -49.972 bonds (distance) P-C4' energy: -61.390 flat angles C4'-P-C4' energy: -66.664 flat angles P-C4'-P energy: -35.779 tors. eta vs tors. theta energy: -69.771 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: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -656.590021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.590021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.590021 (E_RNA) where: Base-Base interactions energy: -389.403 where: short stacking energy: -193.303 Base-Backbone interact. energy: 0.513 local terms energy: -267.700444 where: bonds (distance) C4'-P energy: -56.094 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -55.940 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -46.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -517.135812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.135812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.135812 (E_RNA) where: Base-Base interactions energy: -316.827 where: short stacking energy: -148.474 Base-Backbone interact. energy: 0.767 local terms energy: -201.075985 where: bonds (distance) C4'-P energy: -36.602 bonds (distance) P-C4' energy: -64.153 flat angles C4'-P-C4' energy: -47.165 flat angles P-C4'-P energy: -32.708 tors. eta vs tors. theta energy: -20.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -364.594354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.594354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.594354 (E_RNA) where: Base-Base interactions energy: -198.497 where: short stacking energy: -99.953 Base-Backbone interact. energy: 5.390 local terms energy: -171.487525 where: bonds (distance) C4'-P energy: -53.725 bonds (distance) P-C4' energy: -56.921 flat angles C4'-P-C4' energy: -35.578 flat angles P-C4'-P energy: -32.276 tors. eta vs tors. theta energy: 7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -268.092032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.092032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.092032 (E_RNA) where: Base-Base interactions energy: -94.081 where: short stacking energy: -80.316 Base-Backbone interact. energy: -0.886 local terms energy: -173.124850 where: bonds (distance) C4'-P energy: -58.800 bonds (distance) P-C4' energy: -52.609 flat angles C4'-P-C4' energy: -43.689 flat angles P-C4'-P energy: -18.547 tors. eta vs tors. theta energy: 0.521 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: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1140.605066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.605066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.605066 (E_RNA) where: Base-Base interactions energy: -798.480 where: short stacking energy: -333.767 Base-Backbone interact. energy: -2.448 local terms energy: -339.677029 where: bonds (distance) C4'-P energy: -59.012 bonds (distance) P-C4' energy: -68.980 flat angles C4'-P-C4' energy: -68.197 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: -95.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1089.059313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.059313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.059313 (E_RNA) where: Base-Base interactions energy: -738.582 where: short stacking energy: -328.371 Base-Backbone interact. energy: -0.974 local terms energy: -349.503245 where: bonds (distance) C4'-P energy: -65.119 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -47.602 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: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1072.542915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.542915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.542915 (E_RNA) where: Base-Base interactions energy: -742.011 where: short stacking energy: -299.255 Base-Backbone interact. energy: -2.297 local terms energy: -328.234336 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -72.695 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: -94.529 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: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -967.762725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.762725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.762725 (E_RNA) where: Base-Base interactions energy: -669.256 where: short stacking energy: -296.696 Base-Backbone interact. energy: -0.798 local terms energy: -297.708837 where: bonds (distance) C4'-P energy: -44.150 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -39.703 tors. eta vs tors. theta energy: -81.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -938.128001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.128001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.128001 (E_RNA) where: Base-Base interactions energy: -648.833 where: short stacking energy: -276.193 Base-Backbone interact. energy: -0.114 local terms energy: -289.181167 where: bonds (distance) C4'-P energy: -64.550 bonds (distance) P-C4' energy: -57.280 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -31.490 tors. eta vs tors. theta energy: -73.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -803.510279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.510279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.510279 (E_RNA) where: Base-Base interactions energy: -542.547 where: short stacking energy: -254.076 Base-Backbone interact. energy: -1.187 local terms energy: -259.776097 where: bonds (distance) C4'-P energy: -50.956 bonds (distance) P-C4' energy: -52.557 flat angles C4'-P-C4' energy: -53.894 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -65.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -659.632566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.632566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.632566 (E_RNA) where: Base-Base interactions energy: -409.796 where: short stacking energy: -177.004 Base-Backbone interact. energy: -2.405 local terms energy: -247.432015 where: bonds (distance) C4'-P energy: -46.634 bonds (distance) P-C4' energy: -61.629 flat angles C4'-P-C4' energy: -65.142 flat angles P-C4'-P energy: -32.984 tors. eta vs tors. theta energy: -41.043 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: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -524.556525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.556525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.556525 (E_RNA) where: Base-Base interactions energy: -294.369 where: short stacking energy: -130.651 Base-Backbone interact. energy: -1.259 local terms energy: -228.928408 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -57.902 flat angles C4'-P-C4' energy: -58.627 flat angles P-C4'-P energy: -37.265 tors. eta vs tors. theta energy: -17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -366.288536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.288536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.288536 (E_RNA) where: Base-Base interactions energy: -177.476 where: short stacking energy: -120.149 Base-Backbone interact. energy: -2.133 local terms energy: -186.679270 where: bonds (distance) C4'-P energy: -50.153 bonds (distance) P-C4' energy: -50.561 flat angles C4'-P-C4' energy: -45.865 flat angles P-C4'-P energy: -28.459 tors. eta vs tors. theta energy: -11.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -279.852953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.852953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.852953 (E_RNA) where: Base-Base interactions energy: -109.697 where: short stacking energy: -80.989 Base-Backbone interact. energy: -1.162 local terms energy: -168.993434 where: bonds (distance) C4'-P energy: -60.976 bonds (distance) P-C4' energy: -50.375 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -26.254 tors. eta vs tors. theta energy: 21.114 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: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1135.564230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.564230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.564230 (E_RNA) where: Base-Base interactions energy: -786.683 where: short stacking energy: -334.140 Base-Backbone interact. energy: 0.604 local terms energy: -349.484806 where: bonds (distance) C4'-P energy: -66.940 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -71.367 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: -94.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1083.890507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.890507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.890507 (E_RNA) where: Base-Base interactions energy: -753.607 where: short stacking energy: -326.101 Base-Backbone interact. energy: -0.827 local terms energy: -329.457335 where: bonds (distance) C4'-P energy: -58.010 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: -92.295 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: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1087.716364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.716364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.716364 (E_RNA) where: Base-Base interactions energy: -742.568 where: short stacking energy: -311.746 Base-Backbone interact. energy: -2.658 local terms energy: -342.489638 where: bonds (distance) C4'-P energy: -65.707 bonds (distance) P-C4' energy: -61.222 flat angles C4'-P-C4' energy: -75.500 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -94.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -998.621896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.621896 (E_RNA) where: Base-Base interactions energy: -678.387 where: short stacking energy: -288.300 Base-Backbone interact. energy: -1.143 local terms energy: -319.091718 where: bonds (distance) C4'-P energy: -61.078 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -67.258 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -85.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -911.178319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.178319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.178319 (E_RNA) where: Base-Base interactions energy: -629.051 where: short stacking energy: -286.305 Base-Backbone interact. energy: -0.471 local terms energy: -281.655754 where: bonds (distance) C4'-P energy: -45.573 bonds (distance) P-C4' energy: -51.958 flat angles C4'-P-C4' energy: -64.055 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -76.321 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: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -864.821110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.821110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.821110 (E_RNA) where: Base-Base interactions energy: -563.128 where: short stacking energy: -267.420 Base-Backbone interact. energy: 2.365 local terms energy: -304.058128 where: bonds (distance) C4'-P energy: -59.074 bonds (distance) P-C4' energy: -64.596 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -655.823344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.823344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.823344 (E_RNA) where: Base-Base interactions energy: -378.025 where: short stacking energy: -200.393 Base-Backbone interact. energy: -0.285 local terms energy: -277.513303 where: bonds (distance) C4'-P energy: -59.367 bonds (distance) P-C4' energy: -72.402 flat angles C4'-P-C4' energy: -59.710 flat angles P-C4'-P energy: -35.315 tors. eta vs tors. theta energy: -50.719 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: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -521.836407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.836407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.836407 (E_RNA) where: Base-Base interactions energy: -307.417 where: short stacking energy: -152.160 Base-Backbone interact. energy: -0.968 local terms energy: -213.450616 where: bonds (distance) C4'-P energy: -54.156 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -43.256 flat angles P-C4'-P energy: -35.671 tors. eta vs tors. theta energy: -22.631 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: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -364.792945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.792945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.792945 (E_RNA) where: Base-Base interactions energy: -178.065 where: short stacking energy: -103.728 Base-Backbone interact. energy: 0.858 local terms energy: -187.585343 where: bonds (distance) C4'-P energy: -41.732 bonds (distance) P-C4' energy: -56.259 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -28.195 tors. eta vs tors. theta energy: -0.124 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: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -278.792663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.792663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.792663 (E_RNA) where: Base-Base interactions energy: -115.235 where: short stacking energy: -73.269 Base-Backbone interact. energy: -1.250 local terms energy: -162.307421 where: bonds (distance) C4'-P energy: -56.152 bonds (distance) P-C4' energy: -40.525 flat angles C4'-P-C4' energy: -44.309 flat angles P-C4'-P energy: -27.606 tors. eta vs tors. theta energy: 6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1135.803722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.803722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.803722 (E_RNA) where: Base-Base interactions energy: -798.293 where: short stacking energy: -328.232 Base-Backbone interact. energy: -2.579 local terms energy: -334.931223 where: bonds (distance) C4'-P energy: -63.851 bonds (distance) P-C4' energy: -56.033 flat angles C4'-P-C4' energy: -68.432 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -99.151 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: 359 Temperature: 0.950000 Total energy: -1098.422325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.422325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.422325 (E_RNA) where: Base-Base interactions energy: -761.235 where: short stacking energy: -298.717 Base-Backbone interact. energy: -1.888 local terms energy: -335.299570 where: bonds (distance) C4'-P energy: -63.886 bonds (distance) P-C4' energy: -66.001 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -45.203 tors. eta vs tors. theta energy: -90.617 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: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1042.921111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.921111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.921111 (E_RNA) where: Base-Base interactions energy: -727.354 where: short stacking energy: -312.023 Base-Backbone interact. energy: -1.782 local terms energy: -313.784741 where: bonds (distance) C4'-P energy: -54.330 bonds (distance) P-C4' energy: -55.883 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -89.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -992.635701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.635701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.635701 (E_RNA) where: Base-Base interactions energy: -691.984 where: short stacking energy: -271.782 Base-Backbone interact. energy: -0.888 local terms energy: -299.763627 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -72.603 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -38.253 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: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -924.540184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.540184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.540184 (E_RNA) where: Base-Base interactions energy: -613.013 where: short stacking energy: -282.309 Base-Backbone interact. energy: -1.306 local terms energy: -310.221806 where: bonds (distance) C4'-P energy: -59.936 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -69.716 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: -78.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -836.181559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.181559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.181559 (E_RNA) where: Base-Base interactions energy: -537.005 where: short stacking energy: -255.480 Base-Backbone interact. energy: -1.372 local terms energy: -297.804435 where: bonds (distance) C4'-P energy: -65.664 bonds (distance) P-C4' energy: -56.518 flat angles C4'-P-C4' energy: -58.464 flat angles P-C4'-P energy: -43.177 tors. eta vs tors. theta energy: -73.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -621.552363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.552363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.552363 (E_RNA) where: Base-Base interactions energy: -379.515 where: short stacking energy: -182.787 Base-Backbone interact. energy: -0.284 local terms energy: -241.753517 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -58.204 flat angles C4'-P-C4' energy: -50.450 flat angles P-C4'-P energy: -35.034 tors. eta vs tors. theta energy: -44.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -496.119385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.119385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.119385 (E_RNA) where: Base-Base interactions energy: -265.578 where: short stacking energy: -135.772 Base-Backbone interact. energy: -0.341 local terms energy: -230.199527 where: bonds (distance) C4'-P energy: -59.862 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -54.108 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -12.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -407.259263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.259263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.259263 (E_RNA) where: Base-Base interactions energy: -221.969 where: short stacking energy: -129.470 Base-Backbone interact. energy: -0.900 local terms energy: -184.389786 where: bonds (distance) C4'-P energy: -57.418 bonds (distance) P-C4' energy: -64.588 flat angles C4'-P-C4' energy: -37.594 flat angles P-C4'-P energy: -25.573 tors. eta vs tors. theta energy: 0.784 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: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -272.129500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.129500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.129500 (E_RNA) where: Base-Base interactions energy: -83.828 where: short stacking energy: -77.060 Base-Backbone interact. energy: 1.363 local terms energy: -189.664926 where: bonds (distance) C4'-P energy: -48.124 bonds (distance) P-C4' energy: -62.656 flat angles C4'-P-C4' energy: -53.942 flat angles P-C4'-P energy: -24.042 tors. eta vs tors. theta energy: -0.901 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: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1137.710982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.710982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.710982 (E_RNA) where: Base-Base interactions energy: -784.404 where: short stacking energy: -335.175 Base-Backbone interact. energy: 2.801 local terms energy: -356.108442 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -72.225 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -101.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1087.448712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.448712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.448712 (E_RNA) where: Base-Base interactions energy: -751.695 where: short stacking energy: -302.388 Base-Backbone interact. energy: -2.153 local terms energy: -333.600450 where: bonds (distance) C4'-P energy: -62.932 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: -86.311 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: 360 Temperature: 1.000000 Total energy: -1039.396593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.396593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.396593 (E_RNA) where: Base-Base interactions energy: -697.802 where: short stacking energy: -316.559 Base-Backbone interact. energy: -1.459 local terms energy: -340.134998 where: bonds (distance) C4'-P energy: -71.345 bonds (distance) P-C4' energy: -72.447 flat angles C4'-P-C4' energy: -65.037 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: -93.624 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: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -998.489429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.489429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.489429 (E_RNA) where: Base-Base interactions energy: -697.328 where: short stacking energy: -278.583 Base-Backbone interact. energy: -0.807 local terms energy: -300.354520 where: bonds (distance) C4'-P energy: -59.741 bonds (distance) P-C4' energy: -55.841 flat angles C4'-P-C4' energy: -62.350 flat angles P-C4'-P energy: -45.978 tors. eta vs tors. theta energy: -76.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -891.928394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.928394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.928394 (E_RNA) where: Base-Base interactions energy: -581.419 where: short stacking energy: -264.560 Base-Backbone interact. energy: -0.432 local terms energy: -310.078134 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -49.916 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -46.358 tors. eta vs tors. theta energy: -78.708 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: 3 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -796.399882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.399882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.399882 (E_RNA) where: Base-Base interactions energy: -516.411 where: short stacking energy: -226.983 Base-Backbone interact. energy: -1.780 local terms energy: -278.209308 where: bonds (distance) C4'-P energy: -55.709 bonds (distance) P-C4' energy: -62.114 flat angles C4'-P-C4' energy: -56.465 flat angles P-C4'-P energy: -37.760 tors. eta vs tors. theta energy: -66.162 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: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -628.339364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.339364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.339364 (E_RNA) where: Base-Base interactions energy: -391.363 where: short stacking energy: -167.925 Base-Backbone interact. energy: 0.843 local terms energy: -237.819500 where: bonds (distance) C4'-P energy: -58.215 bonds (distance) P-C4' energy: -67.104 flat angles C4'-P-C4' energy: -52.059 flat angles P-C4'-P energy: -30.984 tors. eta vs tors. theta energy: -29.457 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: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -521.951107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.951107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.951107 (E_RNA) where: Base-Base interactions energy: -300.930 where: short stacking energy: -157.027 Base-Backbone interact. energy: -2.169 local terms energy: -218.851761 where: bonds (distance) C4'-P energy: -47.239 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -61.918 flat angles P-C4'-P energy: -25.814 tors. eta vs tors. theta energy: -17.558 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: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -443.627026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.627026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.627026 (E_RNA) where: Base-Base interactions energy: -235.561 where: short stacking energy: -145.235 Base-Backbone interact. energy: 0.726 local terms energy: -208.792463 where: bonds (distance) C4'-P energy: -47.699 bonds (distance) P-C4' energy: -49.326 flat angles C4'-P-C4' energy: -44.356 flat angles P-C4'-P energy: -33.105 tors. eta vs tors. theta energy: -34.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -299.018862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.018862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.018862 (E_RNA) where: Base-Base interactions energy: -106.896 where: short stacking energy: -92.215 Base-Backbone interact. energy: -0.372 local terms energy: -191.750538 where: bonds (distance) C4'-P energy: -55.948 bonds (distance) P-C4' energy: -57.351 flat angles C4'-P-C4' energy: -54.722 flat angles P-C4'-P energy: -28.854 tors. eta vs tors. theta energy: 5.124 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1147.477218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.477218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.477218 (E_RNA) where: Base-Base interactions energy: -791.659 where: short stacking energy: -326.824 Base-Backbone interact. energy: -0.427 local terms energy: -355.390398 where: bonds (distance) C4'-P energy: -73.542 bonds (distance) P-C4' energy: -65.475 flat angles C4'-P-C4' energy: -68.681 flat angles P-C4'-P energy: -52.630 tors. eta vs tors. theta energy: -95.063 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: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1059.243671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.243671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.243671 (E_RNA) where: Base-Base interactions energy: -716.139 where: short stacking energy: -331.016 Base-Backbone interact. energy: -0.079 local terms energy: -343.025673 where: bonds (distance) C4'-P energy: -60.885 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -70.789 flat angles P-C4'-P energy: -51.998 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: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1043.592146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.592146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.592146 (E_RNA) where: Base-Base interactions energy: -712.560 where: short stacking energy: -290.447 Base-Backbone interact. energy: -2.663 local terms energy: -328.369342 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -71.344 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -80.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -992.073010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.073010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.073010 (E_RNA) where: Base-Base interactions energy: -697.251 where: short stacking energy: -285.183 Base-Backbone interact. energy: -1.232 local terms energy: -293.590139 where: bonds (distance) C4'-P energy: -57.856 bonds (distance) P-C4' energy: -49.924 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -39.328 tors. eta vs tors. theta energy: -78.343 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: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -923.364555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.364555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.364555 (E_RNA) where: Base-Base interactions energy: -624.624 where: short stacking energy: -264.352 Base-Backbone interact. energy: -0.383 local terms energy: -298.357501 where: bonds (distance) C4'-P energy: -55.647 bonds (distance) P-C4' energy: -59.476 flat angles C4'-P-C4' energy: -66.278 flat angles P-C4'-P energy: -43.923 tors. eta vs tors. theta energy: -73.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -852.824423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.824423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.824423 (E_RNA) where: Base-Base interactions energy: -564.484 where: short stacking energy: -254.431 Base-Backbone interact. energy: 0.104 local terms energy: -288.445329 where: bonds (distance) C4'-P energy: -62.436 bonds (distance) P-C4' energy: -56.960 flat angles C4'-P-C4' energy: -59.698 flat angles P-C4'-P energy: -33.275 tors. eta vs tors. theta energy: -76.077 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: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -654.780523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.780523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.780523 (E_RNA) where: Base-Base interactions energy: -394.600 where: short stacking energy: -179.367 Base-Backbone interact. energy: 0.302 local terms energy: -260.481819 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -51.179 flat angles C4'-P-C4' energy: -62.497 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -42.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -514.707340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.707340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.707340 (E_RNA) where: Base-Base interactions energy: -290.864 where: short stacking energy: -150.532 Base-Backbone interact. energy: 0.512 local terms energy: -224.355558 where: bonds (distance) C4'-P energy: -47.532 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -52.637 flat angles P-C4'-P energy: -28.072 tors. eta vs tors. theta energy: -28.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -431.637665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.637665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.637665 (E_RNA) where: Base-Base interactions energy: -224.625 where: short stacking energy: -135.689 Base-Backbone interact. energy: -1.618 local terms energy: -205.394879 where: bonds (distance) C4'-P energy: -56.326 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -44.075 flat angles P-C4'-P energy: -36.121 tors. eta vs tors. theta energy: -6.484 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: 361 Temperature: 1.350000 Total energy: -315.153515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.153515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.153515 (E_RNA) where: Base-Base interactions energy: -146.827 where: short stacking energy: -96.167 Base-Backbone interact. energy: 6.307 local terms energy: -174.633051 where: bonds (distance) C4'-P energy: -38.758 bonds (distance) P-C4' energy: -48.387 flat angles C4'-P-C4' energy: -53.656 flat angles P-C4'-P energy: -33.527 tors. eta vs tors. theta energy: -0.306 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: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1142.987132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.987132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.987132 (E_RNA) where: Base-Base interactions energy: -787.807 where: short stacking energy: -325.826 Base-Backbone interact. energy: -0.327 local terms energy: -354.853087 where: bonds (distance) C4'-P energy: -58.888 bonds (distance) P-C4' energy: -73.034 flat angles C4'-P-C4' energy: -70.453 flat angles P-C4'-P energy: -52.601 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: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1075.329694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.329694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.329694 (E_RNA) where: Base-Base interactions energy: -733.414 where: short stacking energy: -328.005 Base-Backbone interact. energy: -1.533 local terms energy: -340.382707 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -61.930 flat angles C4'-P-C4' energy: -72.881 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -92.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1082.020357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.020357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.020357 (E_RNA) where: Base-Base interactions energy: -737.143 where: short stacking energy: -310.380 Base-Backbone interact. energy: 1.897 local terms energy: -346.774230 where: bonds (distance) C4'-P energy: -63.858 bonds (distance) P-C4' energy: -67.961 flat angles C4'-P-C4' energy: -73.803 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -93.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -976.906966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.906966 (E_RNA) where: Base-Base interactions energy: -676.704 where: short stacking energy: -284.186 Base-Backbone interact. energy: -1.300 local terms energy: -298.903191 where: bonds (distance) C4'-P energy: -50.938 bonds (distance) P-C4' energy: -64.447 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -79.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -945.845268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.845268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.845268 (E_RNA) where: Base-Base interactions energy: -645.605 where: short stacking energy: -266.571 Base-Backbone interact. energy: -0.589 local terms energy: -299.651082 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -62.523 flat angles C4'-P-C4' energy: -62.213 flat angles P-C4'-P energy: -45.086 tors. eta vs tors. theta energy: -71.212 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: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -815.446195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.446195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.446195 (E_RNA) where: Base-Base interactions energy: -539.302 where: short stacking energy: -247.403 Base-Backbone interact. energy: 1.222 local terms energy: -277.366130 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -57.469 flat angles C4'-P-C4' energy: -60.740 flat angles P-C4'-P energy: -33.549 tors. eta vs tors. theta energy: -71.415 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: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -642.096543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.096543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.096543 (E_RNA) where: Base-Base interactions energy: -386.497 where: short stacking energy: -199.606 Base-Backbone interact. energy: -0.190 local terms energy: -255.409815 where: bonds (distance) C4'-P energy: -50.211 bonds (distance) P-C4' energy: -61.259 flat angles C4'-P-C4' energy: -57.652 flat angles P-C4'-P energy: -34.708 tors. eta vs tors. theta energy: -51.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -504.202898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.202898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.202898 (E_RNA) where: Base-Base interactions energy: -291.693 where: short stacking energy: -167.261 Base-Backbone interact. energy: -0.694 local terms energy: -211.815698 where: bonds (distance) C4'-P energy: -44.352 bonds (distance) P-C4' energy: -49.051 flat angles C4'-P-C4' energy: -57.224 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: -25.212 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: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -366.254288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.254288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.254288 (E_RNA) where: Base-Base interactions energy: -164.444 where: short stacking energy: -103.246 Base-Backbone interact. energy: -0.349 local terms energy: -201.460981 where: bonds (distance) C4'-P energy: -47.667 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -59.889 flat angles P-C4'-P energy: -30.689 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -293.406209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.406209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.406209 (E_RNA) where: Base-Base interactions energy: -137.892 where: short stacking energy: -89.328 Base-Backbone interact. energy: -0.566 local terms energy: -154.948676 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -37.792 flat angles C4'-P-C4' energy: -49.829 flat angles P-C4'-P energy: -23.248 tors. eta vs tors. theta energy: 12.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1143.426895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.426895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.426895 (E_RNA) where: Base-Base interactions energy: -793.860 where: short stacking energy: -330.483 Base-Backbone interact. energy: 1.298 local terms energy: -350.864945 where: bonds (distance) C4'-P energy: -60.842 bonds (distance) P-C4' energy: -67.850 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -99.861 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1096.958899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.958899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.958899 (E_RNA) where: Base-Base interactions energy: -764.737 where: short stacking energy: -302.967 Base-Backbone interact. energy: -1.740 local terms energy: -330.482383 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -65.838 flat angles C4'-P-C4' energy: -67.574 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -86.993 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: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1073.812198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.812198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.812198 (E_RNA) where: Base-Base interactions energy: -738.924 where: short stacking energy: -330.819 Base-Backbone interact. energy: 0.132 local terms energy: -335.019720 where: bonds (distance) C4'-P energy: -61.104 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -90.526 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: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -987.049561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.049561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.049561 (E_RNA) where: Base-Base interactions energy: -661.284 where: short stacking energy: -279.828 Base-Backbone interact. energy: 0.548 local terms energy: -326.313704 where: bonds (distance) C4'-P energy: -59.908 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -73.811 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -86.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -940.038291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.038291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.038291 (E_RNA) where: Base-Base interactions energy: -663.626 where: short stacking energy: -273.891 Base-Backbone interact. energy: -0.022 local terms energy: -276.390099 where: bonds (distance) C4'-P energy: -56.507 bonds (distance) P-C4' energy: -49.128 flat angles C4'-P-C4' energy: -60.921 flat angles P-C4'-P energy: -31.245 tors. eta vs tors. theta energy: -78.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -812.507634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.507634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.507634 (E_RNA) where: Base-Base interactions energy: -517.293 where: short stacking energy: -240.417 Base-Backbone interact. energy: -2.608 local terms energy: -292.607182 where: bonds (distance) C4'-P energy: -66.974 bonds (distance) P-C4' energy: -60.773 flat angles C4'-P-C4' energy: -62.195 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -62.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -659.963141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.963141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.963141 (E_RNA) where: Base-Base interactions energy: -396.452 where: short stacking energy: -198.966 Base-Backbone interact. energy: -1.424 local terms energy: -262.087019 where: bonds (distance) C4'-P energy: -56.015 bonds (distance) P-C4' energy: -50.186 flat angles C4'-P-C4' energy: -64.409 flat angles P-C4'-P energy: -35.165 tors. eta vs tors. theta energy: -56.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -492.841885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.841885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.841885 (E_RNA) where: Base-Base interactions energy: -288.678 where: short stacking energy: -147.836 Base-Backbone interact. energy: -0.885 local terms energy: -203.279163 where: bonds (distance) C4'-P energy: -37.225 bonds (distance) P-C4' energy: -50.410 flat angles C4'-P-C4' energy: -53.421 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -16.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -394.271416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.271416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.271416 (E_RNA) where: Base-Base interactions energy: -197.870 where: short stacking energy: -109.374 Base-Backbone interact. energy: -0.502 local terms energy: -195.899035 where: bonds (distance) C4'-P energy: -56.463 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -43.587 flat angles P-C4'-P energy: -23.480 tors. eta vs tors. theta energy: -11.087 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: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -281.498338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.498338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.498338 (E_RNA) where: Base-Base interactions energy: -100.100 where: short stacking energy: -84.196 Base-Backbone interact. energy: -0.888 local terms energy: -180.509573 where: bonds (distance) C4'-P energy: -62.633 bonds (distance) P-C4' energy: -49.063 flat angles C4'-P-C4' energy: -48.320 flat angles P-C4'-P energy: -24.146 tors. eta vs tors. theta energy: 3.652 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1141.198134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.198134 (E_RNA) where: Base-Base interactions energy: -799.811 where: short stacking energy: -339.768 Base-Backbone interact. energy: -0.014 local terms energy: -341.372296 where: bonds (distance) C4'-P energy: -56.896 bonds (distance) P-C4' energy: -66.999 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -97.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1080.071669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.071669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.071669 (E_RNA) where: Base-Base interactions energy: -739.908 where: short stacking energy: -321.544 Base-Backbone interact. energy: -2.117 local terms energy: -338.045765 where: bonds (distance) C4'-P energy: -51.935 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -44.849 tors. eta vs tors. theta energy: -97.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1060.379490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.379490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.379490 (E_RNA) where: Base-Base interactions energy: -712.047 where: short stacking energy: -301.199 Base-Backbone interact. energy: -0.682 local terms energy: -347.650843 where: bonds (distance) C4'-P energy: -55.265 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -78.682 flat angles P-C4'-P energy: -55.997 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: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -952.964088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.964088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.964088 (E_RNA) where: Base-Base interactions energy: -643.843 where: short stacking energy: -267.025 Base-Backbone interact. energy: -0.264 local terms energy: -308.856286 where: bonds (distance) C4'-P energy: -59.625 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -67.212 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: -80.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -946.307346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.307346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.307346 (E_RNA) where: Base-Base interactions energy: -621.451 where: short stacking energy: -289.108 Base-Backbone interact. energy: 0.918 local terms energy: -325.773784 where: bonds (distance) C4'-P energy: -64.605 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -61.710 flat angles P-C4'-P energy: -47.104 tors. eta vs tors. theta energy: -83.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -835.215341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.215341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.215341 (E_RNA) where: Base-Base interactions energy: -545.721 where: short stacking energy: -258.006 Base-Backbone interact. energy: 1.678 local terms energy: -291.172543 where: bonds (distance) C4'-P energy: -58.148 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -61.322 flat angles P-C4'-P energy: -47.622 tors. eta vs tors. theta energy: -69.014 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: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -628.158019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.158019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.158019 (E_RNA) where: Base-Base interactions energy: -363.189 where: short stacking energy: -192.510 Base-Backbone interact. energy: 0.143 local terms energy: -265.112242 where: bonds (distance) C4'-P energy: -53.580 bonds (distance) P-C4' energy: -62.803 flat angles C4'-P-C4' energy: -52.936 flat angles P-C4'-P energy: -47.497 tors. eta vs tors. theta energy: -48.296 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: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -556.348475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.348475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.348475 (E_RNA) where: Base-Base interactions energy: -324.451 where: short stacking energy: -153.619 Base-Backbone interact. energy: -1.242 local terms energy: -230.655326 where: bonds (distance) C4'-P energy: -58.347 bonds (distance) P-C4' energy: -61.943 flat angles C4'-P-C4' energy: -50.708 flat angles P-C4'-P energy: -34.121 tors. eta vs tors. theta energy: -25.537 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: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -305.193213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.193213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.193213 (E_RNA) where: Base-Base interactions energy: -96.783 where: short stacking energy: -86.554 Base-Backbone interact. energy: -1.329 local terms energy: -207.081262 where: bonds (distance) C4'-P energy: -55.965 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -43.717 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -382.245412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.245412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.245412 (E_RNA) where: Base-Base interactions energy: -205.004 where: short stacking energy: -122.220 Base-Backbone interact. energy: -0.162 local terms energy: -177.078929 where: bonds (distance) C4'-P energy: -36.279 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -47.505 flat angles P-C4'-P energy: -25.108 tors. eta vs tors. theta energy: -3.479 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: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1135.152451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.152451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.152451 (E_RNA) where: Base-Base interactions energy: -781.298 where: short stacking energy: -329.590 Base-Backbone interact. energy: -3.586 local terms energy: -350.268655 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -63.981 flat angles C4'-P-C4' energy: -71.813 flat angles P-C4'-P energy: -57.824 tors. eta vs tors. theta energy: -89.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1088.686297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.686297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.686297 (E_RNA) where: Base-Base interactions energy: -736.999 where: short stacking energy: -321.900 Base-Backbone interact. energy: -3.605 local terms energy: -348.082325 where: bonds (distance) C4'-P energy: -63.810 bonds (distance) P-C4' energy: -67.541 flat angles C4'-P-C4' energy: -71.113 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -91.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1022.099544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.099544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.099544 (E_RNA) where: Base-Base interactions energy: -703.156 where: short stacking energy: -316.779 Base-Backbone interact. energy: -0.137 local terms energy: -318.807225 where: bonds (distance) C4'-P energy: -48.297 bonds (distance) P-C4' energy: -68.014 flat angles C4'-P-C4' energy: -71.443 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: -80.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -978.927745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.927745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.927745 (E_RNA) where: Base-Base interactions energy: -677.007 where: short stacking energy: -306.437 Base-Backbone interact. energy: 0.892 local terms energy: -302.811998 where: bonds (distance) C4'-P energy: -57.186 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -60.371 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -84.623 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: 365 Temperature: 1.100000 Total energy: -951.344984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.344984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.344984 (E_RNA) where: Base-Base interactions energy: -650.448 where: short stacking energy: -275.209 Base-Backbone interact. energy: -1.637 local terms energy: -299.260416 where: bonds (distance) C4'-P energy: -55.958 bonds (distance) P-C4' energy: -62.410 flat angles C4'-P-C4' energy: -61.315 flat angles P-C4'-P energy: -39.507 tors. eta vs tors. theta energy: -80.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -807.570598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.570598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.570598 (E_RNA) where: Base-Base interactions energy: -536.386 where: short stacking energy: -230.597 Base-Backbone interact. energy: -1.228 local terms energy: -269.956946 where: bonds (distance) C4'-P energy: -52.893 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -58.947 flat angles P-C4'-P energy: -37.584 tors. eta vs tors. theta energy: -58.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -622.189048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.189048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.189048 (E_RNA) where: Base-Base interactions energy: -379.262 where: short stacking energy: -184.793 Base-Backbone interact. energy: -1.081 local terms energy: -241.846217 where: bonds (distance) C4'-P energy: -54.893 bonds (distance) P-C4' energy: -57.769 flat angles C4'-P-C4' energy: -54.667 flat angles P-C4'-P energy: -28.190 tors. eta vs tors. theta energy: -46.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -550.078850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.078850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.078850 (E_RNA) where: Base-Base interactions energy: -329.189 where: short stacking energy: -156.979 Base-Backbone interact. energy: -0.751 local terms energy: -220.139045 where: bonds (distance) C4'-P energy: -50.017 bonds (distance) P-C4' energy: -67.308 flat angles C4'-P-C4' energy: -58.796 flat angles P-C4'-P energy: -30.055 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -303.087503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.087503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.087503 (E_RNA) where: Base-Base interactions energy: -99.367 where: short stacking energy: -95.898 Base-Backbone interact. energy: -1.889 local terms energy: -201.831461 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -40.613 flat angles C4'-P-C4' energy: -57.123 flat angles P-C4'-P energy: -30.116 tors. eta vs tors. theta energy: -12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -367.132729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.132729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.132729 (E_RNA) where: Base-Base interactions energy: -188.927 where: short stacking energy: -101.574 Base-Backbone interact. energy: -0.086 local terms energy: -178.120528 where: bonds (distance) C4'-P energy: -41.820 bonds (distance) P-C4' energy: -62.407 flat angles C4'-P-C4' energy: -47.517 flat angles P-C4'-P energy: -25.840 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1134.394929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.394929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.394929 (E_RNA) where: Base-Base interactions energy: -781.653 where: short stacking energy: -333.362 Base-Backbone interact. energy: -2.345 local terms energy: -350.396885 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -66.563 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -50.651 tors. eta vs tors. theta energy: -97.410 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: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1068.496560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.496560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.496560 (E_RNA) where: Base-Base interactions energy: -763.111 where: short stacking energy: -303.725 Base-Backbone interact. energy: 0.967 local terms energy: -306.351984 where: bonds (distance) C4'-P energy: -56.310 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -68.933 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: -78.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1036.670031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.670031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.670031 (E_RNA) where: Base-Base interactions energy: -707.505 where: short stacking energy: -299.341 Base-Backbone interact. energy: -1.665 local terms energy: -327.500878 where: bonds (distance) C4'-P energy: -64.251 bonds (distance) P-C4' energy: -49.422 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -87.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -973.249623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.249623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.249623 (E_RNA) where: Base-Base interactions energy: -656.739 where: short stacking energy: -298.477 Base-Backbone interact. energy: -0.680 local terms energy: -315.831016 where: bonds (distance) C4'-P energy: -53.742 bonds (distance) P-C4' energy: -61.538 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -44.043 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: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -942.732717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.732717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.732717 (E_RNA) where: Base-Base interactions energy: -647.539 where: short stacking energy: -269.463 Base-Backbone interact. energy: -0.468 local terms energy: -294.725000 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -66.904 flat angles C4'-P-C4' energy: -63.192 flat angles P-C4'-P energy: -36.588 tors. eta vs tors. theta energy: -72.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -840.086627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.086627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.086627 (E_RNA) where: Base-Base interactions energy: -565.435 where: short stacking energy: -259.207 Base-Backbone interact. energy: 2.724 local terms energy: -277.375535 where: bonds (distance) C4'-P energy: -59.299 bonds (distance) P-C4' energy: -50.654 flat angles C4'-P-C4' energy: -67.096 flat angles P-C4'-P energy: -35.482 tors. eta vs tors. theta energy: -64.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -626.366567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.366567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.366567 (E_RNA) where: Base-Base interactions energy: -370.414 where: short stacking energy: -183.519 Base-Backbone interact. energy: -0.075 local terms energy: -255.877892 where: bonds (distance) C4'-P energy: -57.173 bonds (distance) P-C4' energy: -57.211 flat angles C4'-P-C4' energy: -55.077 flat angles P-C4'-P energy: -40.013 tors. eta vs tors. theta energy: -46.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -548.164701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.164701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.164701 (E_RNA) where: Base-Base interactions energy: -313.348 where: short stacking energy: -145.271 Base-Backbone interact. energy: -0.589 local terms energy: -234.228225 where: bonds (distance) C4'-P energy: -50.177 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -58.834 flat angles P-C4'-P energy: -42.596 tors. eta vs tors. theta energy: -22.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -355.001166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.001166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.001166 (E_RNA) where: Base-Base interactions energy: -182.381 where: short stacking energy: -104.387 Base-Backbone interact. energy: 0.057 local terms energy: -172.677617 where: bonds (distance) C4'-P energy: -54.151 bonds (distance) P-C4' energy: -46.541 flat angles C4'-P-C4' energy: -37.501 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -256.210485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.210485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.210485 (E_RNA) where: Base-Base interactions energy: -96.965 where: short stacking energy: -68.589 Base-Backbone interact. energy: 5.875 local terms energy: -165.120490 where: bonds (distance) C4'-P energy: -55.887 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -36.635 flat angles P-C4'-P energy: -24.058 tors. eta vs tors. theta energy: 12.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1143.239451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.239451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.239451 (E_RNA) where: Base-Base interactions energy: -790.489 where: short stacking energy: -340.353 Base-Backbone interact. energy: -0.639 local terms energy: -352.111019 where: bonds (distance) C4'-P energy: -71.464 bonds (distance) P-C4' energy: -64.401 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -87.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1100.943924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.943924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.943924 (E_RNA) where: Base-Base interactions energy: -761.713 where: short stacking energy: -302.682 Base-Backbone interact. energy: 0.581 local terms energy: -339.811193 where: bonds (distance) C4'-P energy: -55.327 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -71.875 flat angles P-C4'-P energy: -58.531 tors. eta vs tors. theta energy: -87.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1055.705124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.705124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.705124 (E_RNA) where: Base-Base interactions energy: -722.903 where: short stacking energy: -319.039 Base-Backbone interact. energy: 0.253 local terms energy: -333.054983 where: bonds (distance) C4'-P energy: -65.976 bonds (distance) P-C4' energy: -62.125 flat angles C4'-P-C4' energy: -62.225 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -95.033 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: 367 Temperature: 1.050000 Total energy: -976.153369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.153369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.153369 (E_RNA) where: Base-Base interactions energy: -662.063 where: short stacking energy: -309.975 Base-Backbone interact. energy: -1.237 local terms energy: -312.854071 where: bonds (distance) C4'-P energy: -50.226 bonds (distance) P-C4' energy: -61.628 flat angles C4'-P-C4' energy: -70.196 flat angles P-C4'-P energy: -44.644 tors. eta vs tors. theta energy: -86.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -951.187668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.187668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.187668 (E_RNA) where: Base-Base interactions energy: -652.773 where: short stacking energy: -269.376 Base-Backbone interact. energy: -0.965 local terms energy: -297.450206 where: bonds (distance) C4'-P energy: -53.152 bonds (distance) P-C4' energy: -64.043 flat angles C4'-P-C4' energy: -56.496 flat angles P-C4'-P energy: -47.098 tors. eta vs tors. theta energy: -76.661 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: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -823.600788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.600788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.600788 (E_RNA) where: Base-Base interactions energy: -567.817 where: short stacking energy: -270.490 Base-Backbone interact. energy: -1.207 local terms energy: -254.577106 where: bonds (distance) C4'-P energy: -56.435 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -50.203 flat angles P-C4'-P energy: -31.890 tors. eta vs tors. theta energy: -65.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -648.896066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.896066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.896066 (E_RNA) where: Base-Base interactions energy: -397.570 where: short stacking energy: -210.454 Base-Backbone interact. energy: 1.573 local terms energy: -252.899556 where: bonds (distance) C4'-P energy: -55.116 bonds (distance) P-C4' energy: -57.300 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -39.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -584.932317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.932317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.932317 (E_RNA) where: Base-Base interactions energy: -361.936 where: short stacking energy: -143.322 Base-Backbone interact. energy: 3.548 local terms energy: -226.545144 where: bonds (distance) C4'-P energy: -57.966 bonds (distance) P-C4' energy: -50.427 flat angles C4'-P-C4' energy: -61.368 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -14.963 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -354.155601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.155601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.155601 (E_RNA) where: Base-Base interactions energy: -173.903 where: short stacking energy: -108.266 Base-Backbone interact. energy: 1.110 local terms energy: -181.362308 where: bonds (distance) C4'-P energy: -62.196 bonds (distance) P-C4' energy: -49.584 flat angles C4'-P-C4' energy: -41.716 flat angles P-C4'-P energy: -27.844 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -295.751504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.751504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.751504 (E_RNA) where: Base-Base interactions energy: -95.805 where: short stacking energy: -80.832 Base-Backbone interact. energy: 1.868 local terms energy: -201.814033 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -44.935 flat angles P-C4'-P energy: -34.298 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1137.767227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.767227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.767227 (E_RNA) where: Base-Base interactions energy: -784.754 where: short stacking energy: -323.697 Base-Backbone interact. energy: -1.679 local terms energy: -351.334161 where: bonds (distance) C4'-P energy: -65.338 bonds (distance) P-C4' energy: -69.823 flat angles C4'-P-C4' energy: -78.463 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -91.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1089.581932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.581932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.581932 (E_RNA) where: Base-Base interactions energy: -758.183 where: short stacking energy: -313.147 Base-Backbone interact. energy: -0.745 local terms energy: -330.653847 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -63.388 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -86.312 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: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1061.172831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.172831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.172831 (E_RNA) where: Base-Base interactions energy: -726.062 where: short stacking energy: -323.448 Base-Backbone interact. energy: -1.089 local terms energy: -334.021620 where: bonds (distance) C4'-P energy: -54.610 bonds (distance) P-C4' energy: -60.220 flat angles C4'-P-C4' energy: -71.497 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -96.680 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: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -958.291905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.291905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.291905 (E_RNA) where: Base-Base interactions energy: -644.603 where: short stacking energy: -291.281 Base-Backbone interact. energy: -0.944 local terms energy: -312.744642 where: bonds (distance) C4'-P energy: -58.780 bonds (distance) P-C4' energy: -68.133 flat angles C4'-P-C4' energy: -54.646 flat angles P-C4'-P energy: -46.272 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: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -952.774325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.774325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.774325 (E_RNA) where: Base-Base interactions energy: -655.830 where: short stacking energy: -273.124 Base-Backbone interact. energy: -0.472 local terms energy: -296.472517 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -62.150 flat angles C4'-P-C4' energy: -60.144 flat angles P-C4'-P energy: -33.904 tors. eta vs tors. theta energy: -78.445 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: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -863.615998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.615998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.615998 (E_RNA) where: Base-Base interactions energy: -575.472 where: short stacking energy: -259.671 Base-Backbone interact. energy: -1.538 local terms energy: -286.606142 where: bonds (distance) C4'-P energy: -46.619 bonds (distance) P-C4' energy: -56.708 flat angles C4'-P-C4' energy: -63.710 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -76.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -636.421334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.421334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.421334 (E_RNA) where: Base-Base interactions energy: -375.139 where: short stacking energy: -204.025 Base-Backbone interact. energy: 0.792 local terms energy: -262.073799 where: bonds (distance) C4'-P energy: -62.131 bonds (distance) P-C4' energy: -47.022 flat angles C4'-P-C4' energy: -59.237 flat angles P-C4'-P energy: -33.310 tors. eta vs tors. theta energy: -60.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -628.014886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.014886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.014886 (E_RNA) where: Base-Base interactions energy: -392.632 where: short stacking energy: -187.701 Base-Backbone interact. energy: 0.365 local terms energy: -235.748378 where: bonds (distance) C4'-P energy: -45.481 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -62.991 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -38.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -280.418265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.418265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.418265 (E_RNA) where: Base-Base interactions energy: -96.896 where: short stacking energy: -89.544 Base-Backbone interact. energy: 0.103 local terms energy: -183.625117 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -53.700 flat angles C4'-P-C4' energy: -50.601 flat angles P-C4'-P energy: -29.860 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -338.341770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.341770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.341770 (E_RNA) where: Base-Base interactions energy: -156.611 where: short stacking energy: -105.105 Base-Backbone interact. energy: 0.687 local terms energy: -182.417819 where: bonds (distance) C4'-P energy: -46.406 bonds (distance) P-C4' energy: -56.604 flat angles C4'-P-C4' energy: -49.544 flat angles P-C4'-P energy: -35.010 tors. eta vs tors. theta energy: 5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1127.818797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.818797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.818797 (E_RNA) where: Base-Base interactions energy: -784.106 where: short stacking energy: -325.910 Base-Backbone interact. energy: -2.303 local terms energy: -341.409882 where: bonds (distance) C4'-P energy: -56.403 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -73.764 flat angles P-C4'-P energy: -50.286 tors. eta vs tors. theta energy: -98.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1085.329423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.329423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.329423 (E_RNA) where: Base-Base interactions energy: -740.843 where: short stacking energy: -323.981 Base-Backbone interact. energy: -1.261 local terms energy: -343.224797 where: bonds (distance) C4'-P energy: -60.427 bonds (distance) P-C4' energy: -67.340 flat angles C4'-P-C4' energy: -71.908 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -92.952 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: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1076.084076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.084076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.084076 (E_RNA) where: Base-Base interactions energy: -752.025 where: short stacking energy: -316.526 Base-Backbone interact. energy: -2.224 local terms energy: -321.834710 where: bonds (distance) C4'-P energy: -54.175 bonds (distance) P-C4' energy: -69.030 flat angles C4'-P-C4' energy: -63.707 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -88.410 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: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -973.305250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.305250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.305250 (E_RNA) where: Base-Base interactions energy: -651.743 where: short stacking energy: -282.829 Base-Backbone interact. energy: -0.120 local terms energy: -321.442818 where: bonds (distance) C4'-P energy: -58.687 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -64.428 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -90.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -930.856439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.856439 (E_RNA) where: Base-Base interactions energy: -649.586 where: short stacking energy: -285.974 Base-Backbone interact. energy: 3.190 local terms energy: -284.460735 where: bonds (distance) C4'-P energy: -46.089 bonds (distance) P-C4' energy: -52.081 flat angles C4'-P-C4' energy: -64.055 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -82.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -868.387843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.387843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.387843 (E_RNA) where: Base-Base interactions energy: -589.170 where: short stacking energy: -260.627 Base-Backbone interact. energy: 0.734 local terms energy: -279.951083 where: bonds (distance) C4'-P energy: -54.620 bonds (distance) P-C4' energy: -57.953 flat angles C4'-P-C4' energy: -60.867 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -70.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -652.574872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.574872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.574872 (E_RNA) where: Base-Base interactions energy: -398.993 where: short stacking energy: -191.455 Base-Backbone interact. energy: -2.530 local terms energy: -251.052304 where: bonds (distance) C4'-P energy: -63.293 bonds (distance) P-C4' energy: -57.594 flat angles C4'-P-C4' energy: -49.380 flat angles P-C4'-P energy: -40.674 tors. eta vs tors. theta energy: -40.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -588.840295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.840295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.840295 (E_RNA) where: Base-Base interactions energy: -359.014 where: short stacking energy: -171.408 Base-Backbone interact. energy: -1.621 local terms energy: -228.205379 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -55.176 flat angles C4'-P-C4' energy: -46.214 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -27.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -291.512071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.512071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.512071 (E_RNA) where: Base-Base interactions energy: -107.171 where: short stacking energy: -92.837 Base-Backbone interact. energy: -0.247 local terms energy: -184.094187 where: bonds (distance) C4'-P energy: -50.978 bonds (distance) P-C4' energy: -55.113 flat angles C4'-P-C4' energy: -48.872 flat angles P-C4'-P energy: -24.736 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -329.396293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.396293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.396293 (E_RNA) where: Base-Base interactions energy: -165.508 where: short stacking energy: -93.380 Base-Backbone interact. energy: 3.017 local terms energy: -166.904700 where: bonds (distance) C4'-P energy: -46.497 bonds (distance) P-C4' energy: -51.596 flat angles C4'-P-C4' energy: -49.864 flat angles P-C4'-P energy: -27.237 tors. eta vs tors. theta energy: 8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1158.448250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.448250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.448250 (E_RNA) where: Base-Base interactions energy: -808.048 where: short stacking energy: -325.920 Base-Backbone interact. energy: -0.849 local terms energy: -349.551327 where: bonds (distance) C4'-P energy: -70.552 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -71.184 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -99.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1086.909004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.909004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.909004 (E_RNA) where: Base-Base interactions energy: -749.581 where: short stacking energy: -325.678 Base-Backbone interact. energy: -2.069 local terms energy: -335.259086 where: bonds (distance) C4'-P energy: -59.843 bonds (distance) P-C4' energy: -54.047 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -44.728 tors. eta vs tors. theta energy: -98.926 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: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1060.894355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.894355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.894355 (E_RNA) where: Base-Base interactions energy: -731.382 where: short stacking energy: -295.943 Base-Backbone interact. energy: -1.263 local terms energy: -328.249500 where: bonds (distance) C4'-P energy: -51.859 bonds (distance) P-C4' energy: -62.262 flat angles C4'-P-C4' energy: -72.385 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -91.155 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: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -980.094522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.094522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.094522 (E_RNA) where: Base-Base interactions energy: -663.192 where: short stacking energy: -282.747 Base-Backbone interact. energy: -0.936 local terms energy: -315.966068 where: bonds (distance) C4'-P energy: -56.392 bonds (distance) P-C4' energy: -66.216 flat angles C4'-P-C4' energy: -57.704 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -89.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -932.511899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.511899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.511899 (E_RNA) where: Base-Base interactions energy: -657.488 where: short stacking energy: -295.128 Base-Backbone interact. energy: -0.876 local terms energy: -274.147985 where: bonds (distance) C4'-P energy: -51.281 bonds (distance) P-C4' energy: -41.810 flat angles C4'-P-C4' energy: -61.787 flat angles P-C4'-P energy: -41.532 tors. eta vs tors. theta energy: -77.738 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: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -871.266935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.266935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.266935 (E_RNA) where: Base-Base interactions energy: -580.244 where: short stacking energy: -271.309 Base-Backbone interact. energy: -2.006 local terms energy: -289.017215 where: bonds (distance) C4'-P energy: -50.224 bonds (distance) P-C4' energy: -49.866 flat angles C4'-P-C4' energy: -64.829 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -76.605 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: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -627.140097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.140097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.140097 (E_RNA) where: Base-Base interactions energy: -383.449 where: short stacking energy: -187.928 Base-Backbone interact. energy: 2.352 local terms energy: -246.043133 where: bonds (distance) C4'-P energy: -50.206 bonds (distance) P-C4' energy: -54.340 flat angles C4'-P-C4' energy: -65.578 flat angles P-C4'-P energy: -29.357 tors. eta vs tors. theta energy: -46.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -632.506911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.506911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.506911 (E_RNA) where: Base-Base interactions energy: -381.502 where: short stacking energy: -202.821 Base-Backbone interact. energy: -1.626 local terms energy: -249.379431 where: bonds (distance) C4'-P energy: -57.752 bonds (distance) P-C4' energy: -50.914 flat angles C4'-P-C4' energy: -62.875 flat angles P-C4'-P energy: -36.700 tors. eta vs tors. theta energy: -41.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -367.667312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.667312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.667312 (E_RNA) where: Base-Base interactions energy: -172.725 where: short stacking energy: -94.944 Base-Backbone interact. energy: 3.590 local terms energy: -198.532380 where: bonds (distance) C4'-P energy: -54.650 bonds (distance) P-C4' energy: -49.566 flat angles C4'-P-C4' energy: -46.702 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -10.480 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: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -271.243773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.243773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.243773 (E_RNA) where: Base-Base interactions energy: -94.358 where: short stacking energy: -90.440 Base-Backbone interact. energy: -1.193 local terms energy: -175.693095 where: bonds (distance) C4'-P energy: -53.559 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -39.734 flat angles P-C4'-P energy: -36.498 tors. eta vs tors. theta energy: 13.964 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: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1145.284577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.284577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.284577 (E_RNA) where: Base-Base interactions energy: -797.458 where: short stacking energy: -323.856 Base-Backbone interact. energy: -1.810 local terms energy: -346.017320 where: bonds (distance) C4'-P energy: -56.698 bonds (distance) P-C4' energy: -72.261 flat angles C4'-P-C4' energy: -73.310 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -89.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1096.041534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.041534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.041534 (E_RNA) where: Base-Base interactions energy: -752.193 where: short stacking energy: -312.911 Base-Backbone interact. energy: -0.730 local terms energy: -343.119121 where: bonds (distance) C4'-P energy: -68.261 bonds (distance) P-C4' energy: -63.693 flat angles C4'-P-C4' energy: -67.392 flat angles P-C4'-P energy: -48.531 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: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1070.072338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.072338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.072338 (E_RNA) where: Base-Base interactions energy: -744.748 where: short stacking energy: -329.890 Base-Backbone interact. energy: -2.530 local terms energy: -322.794468 where: bonds (distance) C4'-P energy: -47.828 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -67.715 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -92.778 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -973.423633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.423633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.423633 (E_RNA) where: Base-Base interactions energy: -665.223 where: short stacking energy: -295.504 Base-Backbone interact. energy: 1.631 local terms energy: -309.831842 where: bonds (distance) C4'-P energy: -53.577 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -60.312 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -84.604 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: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -939.991327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.991327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.991327 (E_RNA) where: Base-Base interactions energy: -654.772 where: short stacking energy: -266.770 Base-Backbone interact. energy: -0.454 local terms energy: -284.765543 where: bonds (distance) C4'-P energy: -50.780 bonds (distance) P-C4' energy: -50.904 flat angles C4'-P-C4' energy: -60.502 flat angles P-C4'-P energy: -43.867 tors. eta vs tors. theta energy: -78.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -865.824621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.824621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.824621 (E_RNA) where: Base-Base interactions energy: -564.373 where: short stacking energy: -249.502 Base-Backbone interact. energy: -0.624 local terms energy: -300.827400 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -53.046 flat angles C4'-P-C4' energy: -64.510 flat angles P-C4'-P energy: -40.629 tors. eta vs tors. theta energy: -74.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -653.714098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.714098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.714098 (E_RNA) where: Base-Base interactions energy: -398.280 where: short stacking energy: -187.513 Base-Backbone interact. energy: 0.161 local terms energy: -255.595108 where: bonds (distance) C4'-P energy: -60.104 bonds (distance) P-C4' energy: -46.271 flat angles C4'-P-C4' energy: -61.612 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -41.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -648.515168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.515168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.515168 (E_RNA) where: Base-Base interactions energy: -419.283 where: short stacking energy: -200.426 Base-Backbone interact. energy: -0.313 local terms energy: -228.918735 where: bonds (distance) C4'-P energy: -45.002 bonds (distance) P-C4' energy: -50.866 flat angles C4'-P-C4' energy: -42.477 flat angles P-C4'-P energy: -45.076 tors. eta vs tors. theta energy: -45.498 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: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -365.830520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.830520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.830520 (E_RNA) where: Base-Base interactions energy: -178.708 where: short stacking energy: -110.565 Base-Backbone interact. energy: -0.713 local terms energy: -186.409701 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -41.138 flat angles P-C4'-P energy: -27.286 tors. eta vs tors. theta energy: 5.323 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: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -275.436653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.436653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.436653 (E_RNA) where: Base-Base interactions energy: -104.669 where: short stacking energy: -78.096 Base-Backbone interact. energy: -0.521 local terms energy: -170.247092 where: bonds (distance) C4'-P energy: -52.378 bonds (distance) P-C4' energy: -61.472 flat angles C4'-P-C4' energy: -37.998 flat angles P-C4'-P energy: -31.818 tors. eta vs tors. theta energy: 13.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1145.579303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.579303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.579303 (E_RNA) where: Base-Base interactions energy: -797.882 where: short stacking energy: -318.163 Base-Backbone interact. energy: -1.504 local terms energy: -346.193220 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -66.262 flat angles C4'-P-C4' energy: -73.423 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -89.771 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: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1095.635666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.635666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.635666 (E_RNA) where: Base-Base interactions energy: -748.264 where: short stacking energy: -317.089 Base-Backbone interact. energy: -2.270 local terms energy: -345.102243 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -63.173 flat angles C4'-P-C4' energy: -67.774 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -102.596 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: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1040.993251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.993251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.993251 (E_RNA) where: Base-Base interactions energy: -722.201 where: short stacking energy: -274.344 Base-Backbone interact. energy: -2.512 local terms energy: -316.280321 where: bonds (distance) C4'-P energy: -64.005 bonds (distance) P-C4' energy: -57.934 flat angles C4'-P-C4' energy: -71.015 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -77.623 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: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -979.498013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.498013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.498013 (E_RNA) where: Base-Base interactions energy: -670.211 where: short stacking energy: -279.828 Base-Backbone interact. energy: 0.353 local terms energy: -309.640614 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -56.725 flat angles C4'-P-C4' energy: -69.744 flat angles P-C4'-P energy: -46.591 tors. eta vs tors. theta energy: -79.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -943.453944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.453944 (E_RNA) where: Base-Base interactions energy: -659.077 where: short stacking energy: -296.018 Base-Backbone interact. energy: -0.940 local terms energy: -283.436922 where: bonds (distance) C4'-P energy: -58.524 bonds (distance) P-C4' energy: -48.930 flat angles C4'-P-C4' energy: -70.268 flat angles P-C4'-P energy: -28.479 tors. eta vs tors. theta energy: -77.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -850.455424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.455424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.455424 (E_RNA) where: Base-Base interactions energy: -573.868 where: short stacking energy: -265.818 Base-Backbone interact. energy: -1.367 local terms energy: -275.220916 where: bonds (distance) C4'-P energy: -50.802 bonds (distance) P-C4' energy: -51.481 flat angles C4'-P-C4' energy: -65.237 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -69.825 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: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -660.389039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.389039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.389039 (E_RNA) where: Base-Base interactions energy: -408.848 where: short stacking energy: -195.060 Base-Backbone interact. energy: -0.679 local terms energy: -250.861779 where: bonds (distance) C4'-P energy: -51.724 bonds (distance) P-C4' energy: -67.110 flat angles C4'-P-C4' energy: -66.532 flat angles P-C4'-P energy: -26.211 tors. eta vs tors. theta energy: -39.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -606.486651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.486651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.486651 (E_RNA) where: Base-Base interactions energy: -358.048 where: short stacking energy: -172.844 Base-Backbone interact. energy: -1.650 local terms energy: -246.789199 where: bonds (distance) C4'-P energy: -59.194 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -55.442 flat angles P-C4'-P energy: -31.627 tors. eta vs tors. theta energy: -41.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -368.933346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.933346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.933346 (E_RNA) where: Base-Base interactions energy: -180.556 where: short stacking energy: -102.336 Base-Backbone interact. energy: 1.454 local terms energy: -189.830908 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -65.595 flat angles C4'-P-C4' energy: -45.314 flat angles P-C4'-P energy: -27.154 tors. eta vs tors. theta energy: 3.270 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: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -269.655452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.655452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.655452 (E_RNA) where: Base-Base interactions energy: -106.660 where: short stacking energy: -72.409 Base-Backbone interact. energy: -2.209 local terms energy: -160.786301 where: bonds (distance) C4'-P energy: -57.891 bonds (distance) P-C4' energy: -59.239 flat angles C4'-P-C4' energy: -24.118 flat angles P-C4'-P energy: -23.593 tors. eta vs tors. theta energy: 4.054 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: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1129.345319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.345319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.345319 (E_RNA) where: Base-Base interactions energy: -783.188 where: short stacking energy: -309.681 Base-Backbone interact. energy: -0.650 local terms energy: -345.506806 where: bonds (distance) C4'-P energy: -72.486 bonds (distance) P-C4' energy: -53.679 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -53.123 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: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1072.569565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.569565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.569565 (E_RNA) where: Base-Base interactions energy: -745.158 where: short stacking energy: -311.196 Base-Backbone interact. energy: -1.164 local terms energy: -326.247596 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -62.020 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -98.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1004.853448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.853448 (E_RNA) where: Base-Base interactions energy: -686.622 where: short stacking energy: -275.200 Base-Backbone interact. energy: 0.522 local terms energy: -318.753584 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -62.955 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -73.753 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: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -981.020593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.020593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.020593 (E_RNA) where: Base-Base interactions energy: -646.575 where: short stacking energy: -293.879 Base-Backbone interact. energy: 0.115 local terms energy: -334.560440 where: bonds (distance) C4'-P energy: -65.919 bonds (distance) P-C4' energy: -72.866 flat angles C4'-P-C4' energy: -61.346 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -87.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -949.818396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.818396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.818396 (E_RNA) where: Base-Base interactions energy: -632.398 where: short stacking energy: -275.413 Base-Backbone interact. energy: -2.084 local terms energy: -315.336148 where: bonds (distance) C4'-P energy: -54.096 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -65.430 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: -80.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -820.000673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.000673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.000673 (E_RNA) where: Base-Base interactions energy: -542.073 where: short stacking energy: -229.783 Base-Backbone interact. energy: -1.599 local terms energy: -276.328775 where: bonds (distance) C4'-P energy: -57.309 bonds (distance) P-C4' energy: -66.005 flat angles C4'-P-C4' energy: -54.623 flat angles P-C4'-P energy: -32.238 tors. eta vs tors. theta energy: -66.154 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -675.823185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.823185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.823185 (E_RNA) where: Base-Base interactions energy: -440.109 where: short stacking energy: -214.373 Base-Backbone interact. energy: 0.002 local terms energy: -235.716386 where: bonds (distance) C4'-P energy: -42.539 bonds (distance) P-C4' energy: -48.404 flat angles C4'-P-C4' energy: -62.958 flat angles P-C4'-P energy: -32.484 tors. eta vs tors. theta energy: -49.332 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: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -579.807377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.807377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.807377 (E_RNA) where: Base-Base interactions energy: -348.256 where: short stacking energy: -172.644 Base-Backbone interact. energy: -0.266 local terms energy: -231.285888 where: bonds (distance) C4'-P energy: -51.308 bonds (distance) P-C4' energy: -59.508 flat angles C4'-P-C4' energy: -52.843 flat angles P-C4'-P energy: -37.133 tors. eta vs tors. theta energy: -30.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -376.265576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.265576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.265576 (E_RNA) where: Base-Base interactions energy: -179.445 where: short stacking energy: -118.424 Base-Backbone interact. energy: -0.105 local terms energy: -196.715559 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -52.754 flat angles C4'-P-C4' energy: -45.466 flat angles P-C4'-P energy: -40.327 tors. eta vs tors. theta energy: -5.964 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: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -262.497213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.497213 (E_RNA) where: Base-Base interactions energy: -78.838 where: short stacking energy: -67.621 Base-Backbone interact. energy: -0.559 local terms energy: -183.100865 where: bonds (distance) C4'-P energy: -60.651 bonds (distance) P-C4' energy: -51.274 flat angles C4'-P-C4' energy: -48.555 flat angles P-C4'-P energy: -22.938 tors. eta vs tors. theta energy: 0.316 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: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1145.186473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.186473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.186473 (E_RNA) where: Base-Base interactions energy: -795.248 where: short stacking energy: -328.011 Base-Backbone interact. energy: -0.541 local terms energy: -349.397932 where: bonds (distance) C4'-P energy: -68.126 bonds (distance) P-C4' energy: -64.738 flat angles C4'-P-C4' energy: -77.223 flat angles P-C4'-P energy: -48.559 tors. eta vs tors. theta energy: -90.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1065.051533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.051533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.051533 (E_RNA) where: Base-Base interactions energy: -720.130 where: short stacking energy: -300.177 Base-Backbone interact. energy: -1.501 local terms energy: -343.420745 where: bonds (distance) C4'-P energy: -62.751 bonds (distance) P-C4' energy: -59.953 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -94.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1038.016786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.016786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.016786 (E_RNA) where: Base-Base interactions energy: -711.887 where: short stacking energy: -299.191 Base-Backbone interact. energy: -1.606 local terms energy: -324.524234 where: bonds (distance) C4'-P energy: -66.627 bonds (distance) P-C4' energy: -67.941 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -84.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -980.109196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.109196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.109196 (E_RNA) where: Base-Base interactions energy: -659.095 where: short stacking energy: -291.762 Base-Backbone interact. energy: 0.102 local terms energy: -321.116174 where: bonds (distance) C4'-P energy: -52.719 bonds (distance) P-C4' energy: -68.331 flat angles C4'-P-C4' energy: -65.441 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -83.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -989.265931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.265931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.265931 (E_RNA) where: Base-Base interactions energy: -673.482 where: short stacking energy: -281.353 Base-Backbone interact. energy: 0.223 local terms energy: -316.006501 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -82.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -843.089691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.089691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.089691 (E_RNA) where: Base-Base interactions energy: -548.557 where: short stacking energy: -241.707 Base-Backbone interact. energy: -0.796 local terms energy: -293.736753 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -63.295 flat angles C4'-P-C4' energy: -57.558 flat angles P-C4'-P energy: -43.136 tors. eta vs tors. theta energy: -71.759 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: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -654.935422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.935422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.935422 (E_RNA) where: Base-Base interactions energy: -422.385 where: short stacking energy: -196.621 Base-Backbone interact. energy: 0.379 local terms energy: -232.929066 where: bonds (distance) C4'-P energy: -52.005 bonds (distance) P-C4' energy: -56.877 flat angles C4'-P-C4' energy: -42.254 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -41.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -587.176704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.176704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.176704 (E_RNA) where: Base-Base interactions energy: -348.010 where: short stacking energy: -176.939 Base-Backbone interact. energy: -0.819 local terms energy: -238.347860 where: bonds (distance) C4'-P energy: -51.966 bonds (distance) P-C4' energy: -66.343 flat angles C4'-P-C4' energy: -50.012 flat angles P-C4'-P energy: -34.052 tors. eta vs tors. theta energy: -35.976 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: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -381.375708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.375708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.375708 (E_RNA) where: Base-Base interactions energy: -174.724 where: short stacking energy: -105.841 Base-Backbone interact. energy: -0.874 local terms energy: -205.777657 where: bonds (distance) C4'-P energy: -49.904 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -55.016 flat angles P-C4'-P energy: -29.398 tors. eta vs tors. theta energy: -9.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -274.235517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.235517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.235517 (E_RNA) where: Base-Base interactions energy: -102.456 where: short stacking energy: -84.244 Base-Backbone interact. energy: 1.774 local terms energy: -173.553549 where: bonds (distance) C4'-P energy: -40.631 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -54.084 flat angles P-C4'-P energy: -19.358 tors. eta vs tors. theta energy: 0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1127.557618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.557618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.557618 (E_RNA) where: Base-Base interactions energy: -790.225 where: short stacking energy: -320.669 Base-Backbone interact. energy: -3.536 local terms energy: -333.796634 where: bonds (distance) C4'-P energy: -57.167 bonds (distance) P-C4' energy: -57.151 flat angles C4'-P-C4' energy: -79.293 flat angles P-C4'-P energy: -46.234 tors. eta vs tors. theta energy: -93.952 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: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1064.998704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.998704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.998704 (E_RNA) where: Base-Base interactions energy: -718.522 where: short stacking energy: -310.380 Base-Backbone interact. energy: -1.694 local terms energy: -344.782428 where: bonds (distance) C4'-P energy: -70.061 bonds (distance) P-C4' energy: -67.788 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -96.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1023.209207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.209207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.209207 (E_RNA) where: Base-Base interactions energy: -701.968 where: short stacking energy: -291.962 Base-Backbone interact. energy: -0.868 local terms energy: -320.373089 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -72.447 flat angles P-C4'-P energy: -44.653 tors. eta vs tors. theta energy: -78.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -979.627916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.627916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.627916 (E_RNA) where: Base-Base interactions energy: -672.017 where: short stacking energy: -259.224 Base-Backbone interact. energy: -0.584 local terms energy: -307.026491 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -76.650 flat angles C4'-P-C4' energy: -61.370 flat angles P-C4'-P energy: -38.136 tors. eta vs tors. theta energy: -72.906 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: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -968.804013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.804013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.804013 (E_RNA) where: Base-Base interactions energy: -649.215 where: short stacking energy: -302.353 Base-Backbone interact. energy: -1.573 local terms energy: -318.015146 where: bonds (distance) C4'-P energy: -45.134 bonds (distance) P-C4' energy: -57.206 flat angles C4'-P-C4' energy: -69.957 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -96.085 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: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -853.879131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.879131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.879131 (E_RNA) where: Base-Base interactions energy: -570.668 where: short stacking energy: -262.711 Base-Backbone interact. energy: -2.231 local terms energy: -280.979978 where: bonds (distance) C4'-P energy: -55.980 bonds (distance) P-C4' energy: -37.153 flat angles C4'-P-C4' energy: -66.350 flat angles P-C4'-P energy: -49.430 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: 7, replica: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -664.071624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.071624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.071624 (E_RNA) where: Base-Base interactions energy: -433.542 where: short stacking energy: -226.044 Base-Backbone interact. energy: 0.742 local terms energy: -231.271731 where: bonds (distance) C4'-P energy: -50.963 bonds (distance) P-C4' energy: -56.962 flat angles C4'-P-C4' energy: -63.024 flat angles P-C4'-P energy: -15.371 tors. eta vs tors. theta energy: -44.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -632.023767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.023767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.023767 (E_RNA) where: Base-Base interactions energy: -402.098 where: short stacking energy: -178.225 Base-Backbone interact. energy: -1.703 local terms energy: -228.222210 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -44.257 flat angles C4'-P-C4' energy: -58.822 flat angles P-C4'-P energy: -33.555 tors. eta vs tors. theta energy: -34.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -355.027912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.027912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.027912 (E_RNA) where: Base-Base interactions energy: -162.299 where: short stacking energy: -99.972 Base-Backbone interact. energy: 0.040 local terms energy: -192.768034 where: bonds (distance) C4'-P energy: -54.010 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -35.401 flat angles P-C4'-P energy: -29.655 tors. eta vs tors. theta energy: -8.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -273.635485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.635485 (E_RNA) where: Base-Base interactions energy: -108.198 where: short stacking energy: -102.060 Base-Backbone interact. energy: -1.476 local terms energy: -163.961269 where: bonds (distance) C4'-P energy: -44.750 bonds (distance) P-C4' energy: -50.841 flat angles C4'-P-C4' energy: -52.143 flat angles P-C4'-P energy: -24.178 tors. eta vs tors. theta energy: 7.951 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: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1147.726241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.726241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.726241 (E_RNA) where: Base-Base interactions energy: -806.164 where: short stacking energy: -318.741 Base-Backbone interact. energy: -2.713 local terms energy: -338.849755 where: bonds (distance) C4'-P energy: -54.809 bonds (distance) P-C4' energy: -65.797 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -58.512 tors. eta vs tors. theta energy: -90.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1066.217718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.217718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.217718 (E_RNA) where: Base-Base interactions energy: -725.470 where: short stacking energy: -308.921 Base-Backbone interact. energy: 0.893 local terms energy: -341.641005 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -66.261 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -46.257 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: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1006.933121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.933121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.933121 (E_RNA) where: Base-Base interactions energy: -662.241 where: short stacking energy: -290.469 Base-Backbone interact. energy: 0.814 local terms energy: -345.506028 where: bonds (distance) C4'-P energy: -61.930 bonds (distance) P-C4' energy: -71.777 flat angles C4'-P-C4' energy: -72.779 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -86.780 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: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1008.019566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.019566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.019566 (E_RNA) where: Base-Base interactions energy: -672.315 where: short stacking energy: -286.294 Base-Backbone interact. energy: -0.537 local terms energy: -335.166872 where: bonds (distance) C4'-P energy: -64.805 bonds (distance) P-C4' energy: -66.543 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -91.210 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: 376 Temperature: 1.100000 Total energy: -943.896478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.896478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.896478 (E_RNA) where: Base-Base interactions energy: -642.759 where: short stacking energy: -276.280 Base-Backbone interact. energy: -0.427 local terms energy: -300.710425 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -62.527 flat angles C4'-P-C4' energy: -65.562 flat angles P-C4'-P energy: -32.934 tors. eta vs tors. theta energy: -84.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -891.343765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.343765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.343765 (E_RNA) where: Base-Base interactions energy: -585.052 where: short stacking energy: -260.089 Base-Backbone interact. energy: -1.334 local terms energy: -304.957709 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -63.425 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -75.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -682.775021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.775021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.775021 (E_RNA) where: Base-Base interactions energy: -438.750 where: short stacking energy: -206.615 Base-Backbone interact. energy: -1.017 local terms energy: -243.007168 where: bonds (distance) C4'-P energy: -38.865 bonds (distance) P-C4' energy: -61.588 flat angles C4'-P-C4' energy: -62.609 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -44.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -612.483763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.483763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.483763 (E_RNA) where: Base-Base interactions energy: -383.298 where: short stacking energy: -184.269 Base-Backbone interact. energy: -2.080 local terms energy: -227.105490 where: bonds (distance) C4'-P energy: -60.750 bonds (distance) P-C4' energy: -40.085 flat angles C4'-P-C4' energy: -49.357 flat angles P-C4'-P energy: -39.085 tors. eta vs tors. theta energy: -37.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -396.461064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.461064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.461064 (E_RNA) where: Base-Base interactions energy: -207.115 where: short stacking energy: -121.205 Base-Backbone interact. energy: -0.949 local terms energy: -188.396760 where: bonds (distance) C4'-P energy: -59.244 bonds (distance) P-C4' energy: -54.136 flat angles C4'-P-C4' energy: -43.385 flat angles P-C4'-P energy: -28.345 tors. eta vs tors. theta energy: -3.286 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: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -274.997150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.997150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.997150 (E_RNA) where: Base-Base interactions energy: -124.906 where: short stacking energy: -71.149 Base-Backbone interact. energy: 0.197 local terms energy: -150.288069 where: bonds (distance) C4'-P energy: -35.279 bonds (distance) P-C4' energy: -51.888 flat angles C4'-P-C4' energy: -41.710 flat angles P-C4'-P energy: -33.370 tors. eta vs tors. theta energy: 11.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1129.506487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.506487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.506487 (E_RNA) where: Base-Base interactions energy: -794.383 where: short stacking energy: -327.321 Base-Backbone interact. energy: -3.332 local terms energy: -331.791535 where: bonds (distance) C4'-P energy: -55.948 bonds (distance) P-C4' energy: -61.934 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: -92.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1085.514537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.514537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.514537 (E_RNA) where: Base-Base interactions energy: -748.753 where: short stacking energy: -316.385 Base-Backbone interact. energy: 0.322 local terms energy: -337.083760 where: bonds (distance) C4'-P energy: -60.825 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -68.322 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -98.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1012.898028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.898028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.898028 (E_RNA) where: Base-Base interactions energy: -686.241 where: short stacking energy: -278.146 Base-Backbone interact. energy: 0.467 local terms energy: -327.124554 where: bonds (distance) C4'-P energy: -65.535 bonds (distance) P-C4' energy: -59.220 flat angles C4'-P-C4' energy: -73.434 flat angles P-C4'-P energy: -50.118 tors. eta vs tors. theta energy: -78.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1011.025184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.025184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.025184 (E_RNA) where: Base-Base interactions energy: -693.482 where: short stacking energy: -291.872 Base-Backbone interact. energy: -1.187 local terms energy: -316.356423 where: bonds (distance) C4'-P energy: -52.011 bonds (distance) P-C4' energy: -62.487 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -44.388 tors. eta vs tors. theta energy: -81.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -974.811136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.811136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.811136 (E_RNA) where: Base-Base interactions energy: -646.845 where: short stacking energy: -288.701 Base-Backbone interact. energy: -0.149 local terms energy: -327.817329 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -58.725 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -50.558 tors. eta vs tors. theta energy: -89.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -919.668030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.668030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.668030 (E_RNA) where: Base-Base interactions energy: -628.729 where: short stacking energy: -276.144 Base-Backbone interact. energy: -2.314 local terms energy: -288.625545 where: bonds (distance) C4'-P energy: -47.691 bonds (distance) P-C4' energy: -49.194 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: -73.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -672.914255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.914255 (E_RNA) where: Base-Base interactions energy: -429.121 where: short stacking energy: -193.530 Base-Backbone interact. energy: -3.589 local terms energy: -240.204099 where: bonds (distance) C4'-P energy: -60.484 bonds (distance) P-C4' energy: -55.029 flat angles C4'-P-C4' energy: -49.368 flat angles P-C4'-P energy: -38.085 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: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -607.731867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.731867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.731867 (E_RNA) where: Base-Base interactions energy: -372.481 where: short stacking energy: -159.486 Base-Backbone interact. energy: -2.892 local terms energy: -232.359264 where: bonds (distance) C4'-P energy: -46.614 bonds (distance) P-C4' energy: -61.730 flat angles C4'-P-C4' energy: -64.305 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -26.054 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: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -376.168110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.168110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.168110 (E_RNA) where: Base-Base interactions energy: -174.345 where: short stacking energy: -98.457 Base-Backbone interact. energy: -0.577 local terms energy: -201.246112 where: bonds (distance) C4'-P energy: -64.228 bonds (distance) P-C4' energy: -51.611 flat angles C4'-P-C4' energy: -49.911 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -260.063098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.063098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.063098 (E_RNA) where: Base-Base interactions energy: -82.622 where: short stacking energy: -71.656 Base-Backbone interact. energy: -0.270 local terms energy: -177.171115 where: bonds (distance) C4'-P energy: -56.967 bonds (distance) P-C4' energy: -58.124 flat angles C4'-P-C4' energy: -41.979 flat angles P-C4'-P energy: -22.643 tors. eta vs tors. theta energy: 2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1145.249786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.249786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.249786 (E_RNA) where: Base-Base interactions energy: -793.898 where: short stacking energy: -337.623 Base-Backbone interact. energy: -1.773 local terms energy: -349.578865 where: bonds (distance) C4'-P energy: -67.231 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -68.851 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -92.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1088.263684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.263684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.263684 (E_RNA) where: Base-Base interactions energy: -732.654 where: short stacking energy: -324.788 Base-Backbone interact. energy: -1.413 local terms energy: -354.196906 where: bonds (distance) C4'-P energy: -69.596 bonds (distance) P-C4' energy: -63.537 flat angles C4'-P-C4' energy: -75.733 flat angles P-C4'-P energy: -47.119 tors. eta vs tors. theta energy: -98.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1015.524879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.524879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.524879 (E_RNA) where: Base-Base interactions energy: -685.843 where: short stacking energy: -278.216 Base-Backbone interact. energy: -0.051 local terms energy: -329.630136 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -69.529 flat angles C4'-P-C4' energy: -72.785 flat angles P-C4'-P energy: -47.692 tors. eta vs tors. theta energy: -77.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1034.936070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.936070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.936070 (E_RNA) where: Base-Base interactions energy: -710.555 where: short stacking energy: -286.569 Base-Backbone interact. energy: 1.477 local terms energy: -325.858006 where: bonds (distance) C4'-P energy: -55.845 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -68.587 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: -89.803 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: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -930.096597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.096597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.096597 (E_RNA) where: Base-Base interactions energy: -617.728 where: short stacking energy: -273.456 Base-Backbone interact. energy: 0.845 local terms energy: -313.213341 where: bonds (distance) C4'-P energy: -58.729 bonds (distance) P-C4' energy: -58.350 flat angles C4'-P-C4' energy: -66.914 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -84.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -888.030958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.030958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.030958 (E_RNA) where: Base-Base interactions energy: -594.165 where: short stacking energy: -248.891 Base-Backbone interact. energy: -1.712 local terms energy: -292.154006 where: bonds (distance) C4'-P energy: -61.352 bonds (distance) P-C4' energy: -55.999 flat angles C4'-P-C4' energy: -63.556 flat angles P-C4'-P energy: -45.952 tors. eta vs tors. theta energy: -65.296 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: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -679.540951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.540951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.540951 (E_RNA) where: Base-Base interactions energy: -417.113 where: short stacking energy: -194.842 Base-Backbone interact. energy: -0.103 local terms energy: -262.324434 where: bonds (distance) C4'-P energy: -56.781 bonds (distance) P-C4' energy: -64.376 flat angles C4'-P-C4' energy: -62.670 flat angles P-C4'-P energy: -32.788 tors. eta vs tors. theta energy: -45.709 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -593.653515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.653515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.653515 (E_RNA) where: Base-Base interactions energy: -343.840 where: short stacking energy: -176.767 Base-Backbone interact. energy: -1.564 local terms energy: -248.249671 where: bonds (distance) C4'-P energy: -54.261 bonds (distance) P-C4' energy: -62.385 flat angles C4'-P-C4' energy: -58.409 flat angles P-C4'-P energy: -41.743 tors. eta vs tors. theta energy: -31.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -376.929640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.929640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.929640 (E_RNA) where: Base-Base interactions energy: -188.022 where: short stacking energy: -113.637 Base-Backbone interact. energy: -1.301 local terms energy: -187.606885 where: bonds (distance) C4'-P energy: -50.815 bonds (distance) P-C4' energy: -52.688 flat angles C4'-P-C4' energy: -55.158 flat angles P-C4'-P energy: -30.962 tors. eta vs tors. theta energy: 2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -255.187829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.187829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.187829 (E_RNA) where: Base-Base interactions energy: -63.614 where: short stacking energy: -50.377 Base-Backbone interact. energy: 1.872 local terms energy: -193.446247 where: bonds (distance) C4'-P energy: -57.743 bonds (distance) P-C4' energy: -69.315 flat angles C4'-P-C4' energy: -36.724 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: 14.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1147.822602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.822602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.822602 (E_RNA) where: Base-Base interactions energy: -803.132 where: short stacking energy: -319.126 Base-Backbone interact. energy: -1.744 local terms energy: -342.946704 where: bonds (distance) C4'-P energy: -60.190 bonds (distance) P-C4' energy: -68.569 flat angles C4'-P-C4' energy: -70.900 flat angles P-C4'-P energy: -51.781 tors. eta vs tors. theta energy: -91.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1126.019680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.019680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.019680 (E_RNA) where: Base-Base interactions energy: -779.578 where: short stacking energy: -352.736 Base-Backbone interact. energy: 0.367 local terms energy: -346.808051 where: bonds (distance) C4'-P energy: -57.744 bonds (distance) P-C4' energy: -67.770 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -101.734 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: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1052.279787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.279787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.279787 (E_RNA) where: Base-Base interactions energy: -716.126 where: short stacking energy: -315.783 Base-Backbone interact. energy: -1.294 local terms energy: -334.860269 where: bonds (distance) C4'-P energy: -60.591 bonds (distance) P-C4' energy: -65.909 flat angles C4'-P-C4' energy: -74.581 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -93.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -995.852865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.852865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.852865 (E_RNA) where: Base-Base interactions energy: -672.404 where: short stacking energy: -295.997 Base-Backbone interact. energy: -0.804 local terms energy: -322.645420 where: bonds (distance) C4'-P energy: -55.651 bonds (distance) P-C4' energy: -66.026 flat angles C4'-P-C4' energy: -68.772 flat angles P-C4'-P energy: -46.436 tors. eta vs tors. theta energy: -85.761 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: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -970.784854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.784854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.784854 (E_RNA) where: Base-Base interactions energy: -658.782 where: short stacking energy: -293.677 Base-Backbone interact. energy: 0.025 local terms energy: -312.027269 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -53.858 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -87.581 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: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -867.305295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.305295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.305295 (E_RNA) where: Base-Base interactions energy: -563.085 where: short stacking energy: -248.523 Base-Backbone interact. energy: -0.129 local terms energy: -304.091390 where: bonds (distance) C4'-P energy: -59.911 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -60.734 flat angles P-C4'-P energy: -44.804 tors. eta vs tors. theta energy: -79.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -674.318706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.318706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.318706 (E_RNA) where: Base-Base interactions energy: -426.286 where: short stacking energy: -196.374 Base-Backbone interact. energy: 3.793 local terms energy: -251.826013 where: bonds (distance) C4'-P energy: -50.220 bonds (distance) P-C4' energy: -56.256 flat angles C4'-P-C4' energy: -69.562 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -39.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -602.705246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.705246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.705246 (E_RNA) where: Base-Base interactions energy: -377.566 where: short stacking energy: -195.038 Base-Backbone interact. energy: -3.833 local terms energy: -221.306705 where: bonds (distance) C4'-P energy: -40.286 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -24.256 tors. eta vs tors. theta energy: -35.633 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: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -373.397906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.397906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.397906 (E_RNA) where: Base-Base interactions energy: -185.731 where: short stacking energy: -117.406 Base-Backbone interact. energy: -0.182 local terms energy: -187.485011 where: bonds (distance) C4'-P energy: -44.532 bonds (distance) P-C4' energy: -58.167 flat angles C4'-P-C4' energy: -55.116 flat angles P-C4'-P energy: -20.552 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -262.139110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.139110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.139110 (E_RNA) where: Base-Base interactions energy: -103.203 where: short stacking energy: -66.441 Base-Backbone interact. energy: 5.117 local terms energy: -164.053288 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -58.606 flat angles C4'-P-C4' energy: -36.615 flat angles P-C4'-P energy: -28.789 tors. eta vs tors. theta energy: 15.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1146.443177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.443177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.443177 (E_RNA) where: Base-Base interactions energy: -791.567 where: short stacking energy: -324.231 Base-Backbone interact. energy: -1.105 local terms energy: -353.771154 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -80.087 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -90.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1086.512320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.512320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.512320 (E_RNA) where: Base-Base interactions energy: -734.099 where: short stacking energy: -325.940 Base-Backbone interact. energy: -1.412 local terms energy: -351.001202 where: bonds (distance) C4'-P energy: -67.416 bonds (distance) P-C4' energy: -68.072 flat angles C4'-P-C4' energy: -72.813 flat angles P-C4'-P energy: -46.104 tors. eta vs tors. theta energy: -96.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1023.272765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.272765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.272765 (E_RNA) where: Base-Base interactions energy: -686.044 where: short stacking energy: -276.997 Base-Backbone interact. energy: -0.734 local terms energy: -336.494620 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -56.425 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -83.607 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: 380 Temperature: 1.050000 Total energy: -1012.532980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.532980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.532980 (E_RNA) where: Base-Base interactions energy: -705.113 where: short stacking energy: -280.705 Base-Backbone interact. energy: -1.847 local terms energy: -305.573730 where: bonds (distance) C4'-P energy: -57.481 bonds (distance) P-C4' energy: -59.134 flat angles C4'-P-C4' energy: -66.835 flat angles P-C4'-P energy: -42.049 tors. eta vs tors. theta energy: -80.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -947.847724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.847724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.847724 (E_RNA) where: Base-Base interactions energy: -646.974 where: short stacking energy: -278.017 Base-Backbone interact. energy: -0.779 local terms energy: -300.095009 where: bonds (distance) C4'-P energy: -52.504 bonds (distance) P-C4' energy: -67.531 flat angles C4'-P-C4' energy: -64.865 flat angles P-C4'-P energy: -38.482 tors. eta vs tors. theta energy: -76.713 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: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -839.683124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.683124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.683124 (E_RNA) where: Base-Base interactions energy: -565.965 where: short stacking energy: -248.897 Base-Backbone interact. energy: -1.266 local terms energy: -272.452403 where: bonds (distance) C4'-P energy: -50.502 bonds (distance) P-C4' energy: -58.598 flat angles C4'-P-C4' energy: -53.486 flat angles P-C4'-P energy: -31.268 tors. eta vs tors. theta energy: -78.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -633.287316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.287316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.287316 (E_RNA) where: Base-Base interactions energy: -398.394 where: short stacking energy: -180.985 Base-Backbone interact. energy: -1.935 local terms energy: -232.958332 where: bonds (distance) C4'-P energy: -56.569 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -30.948 tors. eta vs tors. theta energy: -31.918 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: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -617.109499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.109499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.109499 (E_RNA) where: Base-Base interactions energy: -373.972 where: short stacking energy: -199.058 Base-Backbone interact. energy: -0.243 local terms energy: -242.894419 where: bonds (distance) C4'-P energy: -55.818 bonds (distance) P-C4' energy: -44.594 flat angles C4'-P-C4' energy: -52.295 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: -52.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -366.255149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.255149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.255149 (E_RNA) where: Base-Base interactions energy: -183.238 where: short stacking energy: -120.570 Base-Backbone interact. energy: 2.190 local terms energy: -185.207228 where: bonds (distance) C4'-P energy: -52.381 bonds (distance) P-C4' energy: -48.835 flat angles C4'-P-C4' energy: -38.433 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -2.504 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -270.854093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.854093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.854093 (E_RNA) where: Base-Base interactions energy: -85.420 where: short stacking energy: -76.336 Base-Backbone interact. energy: -1.803 local terms energy: -183.631215 where: bonds (distance) C4'-P energy: -63.160 bonds (distance) P-C4' energy: -56.488 flat angles C4'-P-C4' energy: -40.785 flat angles P-C4'-P energy: -30.546 tors. eta vs tors. theta energy: 7.349 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: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1147.926783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.926783 (E_RNA) where: Base-Base interactions energy: -803.525 where: short stacking energy: -329.363 Base-Backbone interact. energy: -0.225 local terms energy: -344.177466 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -61.129 flat angles C4'-P-C4' energy: -74.369 flat angles P-C4'-P energy: -52.957 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: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1082.043339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.043339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.043339 (E_RNA) where: Base-Base interactions energy: -757.210 where: short stacking energy: -311.051 Base-Backbone interact. energy: 2.270 local terms energy: -327.103112 where: bonds (distance) C4'-P energy: -50.684 bonds (distance) P-C4' energy: -69.737 flat angles C4'-P-C4' energy: -73.799 flat angles P-C4'-P energy: -45.801 tors. eta vs tors. theta energy: -87.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1066.191546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.191546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.191546 (E_RNA) where: Base-Base interactions energy: -731.750 where: short stacking energy: -317.997 Base-Backbone interact. energy: 2.596 local terms energy: -337.036696 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -64.129 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -92.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1002.122569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.122569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.122569 (E_RNA) where: Base-Base interactions energy: -673.151 where: short stacking energy: -281.640 Base-Backbone interact. energy: -2.358 local terms energy: -326.613876 where: bonds (distance) C4'-P energy: -60.881 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -76.517 flat angles P-C4'-P energy: -49.341 tors. eta vs tors. theta energy: -82.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -934.805109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.805109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.805109 (E_RNA) where: Base-Base interactions energy: -621.979 where: short stacking energy: -278.861 Base-Backbone interact. energy: -0.714 local terms energy: -312.112320 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -70.147 flat angles C4'-P-C4' energy: -62.032 flat angles P-C4'-P energy: -48.191 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: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -893.725084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.725084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.725084 (E_RNA) where: Base-Base interactions energy: -607.916 where: short stacking energy: -265.163 Base-Backbone interact. energy: -0.387 local terms energy: -285.422811 where: bonds (distance) C4'-P energy: -49.849 bonds (distance) P-C4' energy: -52.964 flat angles C4'-P-C4' energy: -64.186 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -72.260 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: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -612.057402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.057402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.057402 (E_RNA) where: Base-Base interactions energy: -374.594 where: short stacking energy: -183.997 Base-Backbone interact. energy: -0.395 local terms energy: -237.068977 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -49.039 flat angles C4'-P-C4' energy: -39.540 flat angles P-C4'-P energy: -36.929 tors. eta vs tors. theta energy: -48.781 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: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -583.835233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.835233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.835233 (E_RNA) where: Base-Base interactions energy: -355.827 where: short stacking energy: -172.761 Base-Backbone interact. energy: -0.542 local terms energy: -227.466285 where: bonds (distance) C4'-P energy: -49.990 bonds (distance) P-C4' energy: -53.560 flat angles C4'-P-C4' energy: -58.199 flat angles P-C4'-P energy: -20.319 tors. eta vs tors. theta energy: -45.399 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: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -385.620450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.620450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.620450 (E_RNA) where: Base-Base interactions energy: -175.908 where: short stacking energy: -111.628 Base-Backbone interact. energy: -1.333 local terms energy: -208.378742 where: bonds (distance) C4'-P energy: -58.160 bonds (distance) P-C4' energy: -56.219 flat angles C4'-P-C4' energy: -41.996 flat angles P-C4'-P energy: -36.254 tors. eta vs tors. theta energy: -15.750 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: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -274.085355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.085355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.085355 (E_RNA) where: Base-Base interactions energy: -98.489 where: short stacking energy: -78.636 Base-Backbone interact. energy: -1.874 local terms energy: -173.722348 where: bonds (distance) C4'-P energy: -43.790 bonds (distance) P-C4' energy: -55.217 flat angles C4'-P-C4' energy: -45.366 flat angles P-C4'-P energy: -26.073 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1141.018185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.018185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.018185 (E_RNA) where: Base-Base interactions energy: -783.243 where: short stacking energy: -325.230 Base-Backbone interact. energy: 5.790 local terms energy: -363.565279 where: bonds (distance) C4'-P energy: -60.157 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -81.763 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -96.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1083.738843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.738843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.738843 (E_RNA) where: Base-Base interactions energy: -743.086 where: short stacking energy: -311.369 Base-Backbone interact. energy: -0.203 local terms energy: -340.450544 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -56.855 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: -84.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1052.110025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.110025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.110025 (E_RNA) where: Base-Base interactions energy: -708.741 where: short stacking energy: -304.516 Base-Backbone interact. energy: 1.686 local terms energy: -345.055700 where: bonds (distance) C4'-P energy: -66.617 bonds (distance) P-C4' energy: -61.386 flat angles C4'-P-C4' energy: -71.669 flat angles P-C4'-P energy: -51.510 tors. eta vs tors. theta energy: -93.874 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: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1017.973968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.973968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.973968 (E_RNA) where: Base-Base interactions energy: -700.819 where: short stacking energy: -286.292 Base-Backbone interact. energy: -0.987 local terms energy: -316.168317 where: bonds (distance) C4'-P energy: -55.905 bonds (distance) P-C4' energy: -58.091 flat angles C4'-P-C4' energy: -62.465 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -93.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -908.177196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.177196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.177196 (E_RNA) where: Base-Base interactions energy: -613.045 where: short stacking energy: -279.196 Base-Backbone interact. energy: 2.138 local terms energy: -297.270297 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -68.556 flat angles P-C4'-P energy: -37.524 tors. eta vs tors. theta energy: -73.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -893.168515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.168515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.168515 (E_RNA) where: Base-Base interactions energy: -583.773 where: short stacking energy: -265.961 Base-Backbone interact. energy: -2.401 local terms energy: -306.994176 where: bonds (distance) C4'-P energy: -57.381 bonds (distance) P-C4' energy: -52.268 flat angles C4'-P-C4' energy: -71.718 flat angles P-C4'-P energy: -44.620 tors. eta vs tors. theta energy: -81.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -626.553629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.553629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.553629 (E_RNA) where: Base-Base interactions energy: -404.468 where: short stacking energy: -206.316 Base-Backbone interact. energy: 1.889 local terms energy: -223.974227 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -48.579 flat angles C4'-P-C4' energy: -57.381 flat angles P-C4'-P energy: -23.758 tors. eta vs tors. theta energy: -42.626 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: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -550.482833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.482833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.482833 (E_RNA) where: Base-Base interactions energy: -332.461 where: short stacking energy: -156.420 Base-Backbone interact. energy: -1.298 local terms energy: -216.723773 where: bonds (distance) C4'-P energy: -52.188 bonds (distance) P-C4' energy: -46.241 flat angles C4'-P-C4' energy: -58.175 flat angles P-C4'-P energy: -30.803 tors. eta vs tors. theta energy: -29.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -373.011025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.011025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.011025 (E_RNA) where: Base-Base interactions energy: -161.651 where: short stacking energy: -104.867 Base-Backbone interact. energy: -0.897 local terms energy: -210.463411 where: bonds (distance) C4'-P energy: -54.046 bonds (distance) P-C4' energy: -58.710 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -39.014 tors. eta vs tors. theta energy: -1.371 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: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -340.633258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.633258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.633258 (E_RNA) where: Base-Base interactions energy: -158.290 where: short stacking energy: -93.128 Base-Backbone interact. energy: 0.103 local terms energy: -182.446013 where: bonds (distance) C4'-P energy: -55.923 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -44.721 flat angles P-C4'-P energy: -22.824 tors. eta vs tors. theta energy: 4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1115.338330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.338330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.338330 (E_RNA) where: Base-Base interactions energy: -775.468 where: short stacking energy: -323.811 Base-Backbone interact. energy: -1.949 local terms energy: -337.920969 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -59.447 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -95.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1093.903241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.903241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.903241 (E_RNA) where: Base-Base interactions energy: -740.401 where: short stacking energy: -307.180 Base-Backbone interact. energy: 0.014 local terms energy: -353.516196 where: bonds (distance) C4'-P energy: -66.524 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -67.023 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -95.589 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: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1063.335106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.335106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.335106 (E_RNA) where: Base-Base interactions energy: -725.954 where: short stacking energy: -300.384 Base-Backbone interact. energy: -0.570 local terms energy: -336.810155 where: bonds (distance) C4'-P energy: -59.157 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -96.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -975.763622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.763622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.763622 (E_RNA) where: Base-Base interactions energy: -655.071 where: short stacking energy: -279.770 Base-Backbone interact. energy: 0.561 local terms energy: -321.253723 where: bonds (distance) C4'-P energy: -54.469 bonds (distance) P-C4' energy: -68.052 flat angles C4'-P-C4' energy: -68.636 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: -87.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -920.884554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.884554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.884554 (E_RNA) where: Base-Base interactions energy: -617.922 where: short stacking energy: -300.714 Base-Backbone interact. energy: -0.324 local terms energy: -302.638315 where: bonds (distance) C4'-P energy: -50.945 bonds (distance) P-C4' energy: -58.760 flat angles C4'-P-C4' energy: -67.400 flat angles P-C4'-P energy: -47.787 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: 6, replica: 6 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -929.005465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.005465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.005465 (E_RNA) where: Base-Base interactions energy: -626.652 where: short stacking energy: -276.696 Base-Backbone interact. energy: -0.276 local terms energy: -302.077266 where: bonds (distance) C4'-P energy: -42.883 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -47.472 tors. eta vs tors. theta energy: -76.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -632.133433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.133433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.133433 (E_RNA) where: Base-Base interactions energy: -394.122 where: short stacking energy: -197.291 Base-Backbone interact. energy: -2.060 local terms energy: -235.951629 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -56.487 flat angles C4'-P-C4' energy: -53.203 flat angles P-C4'-P energy: -31.230 tors. eta vs tors. theta energy: -38.816 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: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -521.279806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.279806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.279806 (E_RNA) where: Base-Base interactions energy: -291.957 where: short stacking energy: -158.271 Base-Backbone interact. energy: -0.210 local terms energy: -229.112363 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -66.366 flat angles C4'-P-C4' energy: -43.735 flat angles P-C4'-P energy: -36.889 tors. eta vs tors. theta energy: -23.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -366.986490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.986490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.986490 (E_RNA) where: Base-Base interactions energy: -168.028 where: short stacking energy: -98.385 Base-Backbone interact. energy: -2.259 local terms energy: -196.699797 where: bonds (distance) C4'-P energy: -56.514 bonds (distance) P-C4' energy: -53.783 flat angles C4'-P-C4' energy: -45.587 flat angles P-C4'-P energy: -30.068 tors. eta vs tors. theta energy: -10.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -333.895670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.895670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.895670 (E_RNA) where: Base-Base interactions energy: -179.838 where: short stacking energy: -107.234 Base-Backbone interact. energy: -1.008 local terms energy: -153.050100 where: bonds (distance) C4'-P energy: -45.740 bonds (distance) P-C4' energy: -53.173 flat angles C4'-P-C4' energy: -42.149 flat angles P-C4'-P energy: -13.539 tors. eta vs tors. theta energy: 1.551 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: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1137.492546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.492546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.492546 (E_RNA) where: Base-Base interactions energy: -768.756 where: short stacking energy: -345.627 Base-Backbone interact. energy: -0.381 local terms energy: -368.355030 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -68.211 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -55.299 tors. eta vs tors. theta energy: -94.719 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: 384 Temperature: 0.950000 Total energy: -1092.479210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.479210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.479210 (E_RNA) where: Base-Base interactions energy: -752.139 where: short stacking energy: -327.426 Base-Backbone interact. energy: 0.360 local terms energy: -340.699846 where: bonds (distance) C4'-P energy: -58.308 bonds (distance) P-C4' energy: -58.159 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -95.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1073.626898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.626898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.626898 (E_RNA) where: Base-Base interactions energy: -729.736 where: short stacking energy: -315.281 Base-Backbone interact. energy: -0.857 local terms energy: -343.034031 where: bonds (distance) C4'-P energy: -64.142 bonds (distance) P-C4' energy: -69.119 flat angles C4'-P-C4' energy: -72.431 flat angles P-C4'-P energy: -44.681 tors. eta vs tors. theta energy: -92.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -966.002215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.002215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.002215 (E_RNA) where: Base-Base interactions energy: -651.849 where: short stacking energy: -290.390 Base-Backbone interact. energy: -1.389 local terms energy: -312.763963 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -72.356 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -81.836 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -930.283065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.283065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.283065 (E_RNA) where: Base-Base interactions energy: -626.586 where: short stacking energy: -275.529 Base-Backbone interact. energy: -1.599 local terms energy: -302.098328 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -54.712 flat angles C4'-P-C4' energy: -69.889 flat angles P-C4'-P energy: -37.908 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: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -877.565248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.565248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.565248 (E_RNA) where: Base-Base interactions energy: -589.686 where: short stacking energy: -262.544 Base-Backbone interact. energy: 0.010 local terms energy: -287.888728 where: bonds (distance) C4'-P energy: -45.806 bonds (distance) P-C4' energy: -57.451 flat angles C4'-P-C4' energy: -69.653 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -73.539 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: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -602.887693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.887693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.887693 (E_RNA) where: Base-Base interactions energy: -355.588 where: short stacking energy: -171.652 Base-Backbone interact. energy: 7.871 local terms energy: -255.170938 where: bonds (distance) C4'-P energy: -53.396 bonds (distance) P-C4' energy: -59.712 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -40.967 tors. eta vs tors. theta energy: -32.408 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -511.449486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.449486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.449486 (E_RNA) where: Base-Base interactions energy: -284.386 where: short stacking energy: -167.374 Base-Backbone interact. energy: -1.621 local terms energy: -225.442716 where: bonds (distance) C4'-P energy: -42.099 bonds (distance) P-C4' energy: -53.918 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -33.593 tors. eta vs tors. theta energy: -36.159 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: 384 Temperature: 1.300000 Total energy: -356.042933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.042933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.042933 (E_RNA) where: Base-Base interactions energy: -162.590 where: short stacking energy: -97.512 Base-Backbone interact. energy: -0.136 local terms energy: -193.317517 where: bonds (distance) C4'-P energy: -56.243 bonds (distance) P-C4' energy: -61.335 flat angles C4'-P-C4' energy: -37.058 flat angles P-C4'-P energy: -29.896 tors. eta vs tors. theta energy: -8.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -343.224926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.224926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.224926 (E_RNA) where: Base-Base interactions energy: -169.739 where: short stacking energy: -107.772 Base-Backbone interact. energy: -1.871 local terms energy: -171.615808 where: bonds (distance) C4'-P energy: -59.393 bonds (distance) P-C4' energy: -57.326 flat angles C4'-P-C4' energy: -42.664 flat angles P-C4'-P energy: -17.009 tors. eta vs tors. theta energy: 4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1123.489085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.489085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.489085 (E_RNA) where: Base-Base interactions energy: -780.922 where: short stacking energy: -356.191 Base-Backbone interact. energy: -0.045 local terms energy: -342.522114 where: bonds (distance) C4'-P energy: -64.323 bonds (distance) P-C4' energy: -70.681 flat angles C4'-P-C4' energy: -68.311 flat angles P-C4'-P energy: -40.682 tors. eta vs tors. theta energy: -98.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1084.442194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.442194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.442194 (E_RNA) where: Base-Base interactions energy: -757.012 where: short stacking energy: -304.452 Base-Backbone interact. energy: 0.652 local terms energy: -328.081758 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -56.601 flat angles C4'-P-C4' energy: -77.507 flat angles P-C4'-P energy: -41.700 tors. eta vs tors. theta energy: -85.309 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: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1055.951011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.951011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.951011 (E_RNA) where: Base-Base interactions energy: -732.930 where: short stacking energy: -314.753 Base-Backbone interact. energy: 0.567 local terms energy: -323.588647 where: bonds (distance) C4'-P energy: -55.399 bonds (distance) P-C4' energy: -64.900 flat angles C4'-P-C4' energy: -66.519 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -91.961 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: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1007.120075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.120075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.120075 (E_RNA) where: Base-Base interactions energy: -681.778 where: short stacking energy: -308.381 Base-Backbone interact. energy: -1.098 local terms energy: -324.243880 where: bonds (distance) C4'-P energy: -52.238 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -74.300 flat angles P-C4'-P energy: -42.538 tors. eta vs tors. theta energy: -90.340 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: 385 Temperature: 1.100000 Total energy: -918.810980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.810980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.810980 (E_RNA) where: Base-Base interactions energy: -623.595 where: short stacking energy: -284.174 Base-Backbone interact. energy: 0.152 local terms energy: -295.367319 where: bonds (distance) C4'-P energy: -53.808 bonds (distance) P-C4' energy: -62.979 flat angles C4'-P-C4' energy: -67.380 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -74.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -881.998081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.998081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.998081 (E_RNA) where: Base-Base interactions energy: -583.326 where: short stacking energy: -264.355 Base-Backbone interact. energy: 1.629 local terms energy: -300.300964 where: bonds (distance) C4'-P energy: -52.388 bonds (distance) P-C4' energy: -56.369 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -43.073 tors. eta vs tors. theta energy: -85.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -572.261840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.261840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.261840 (E_RNA) where: Base-Base interactions energy: -349.827 where: short stacking energy: -160.055 Base-Backbone interact. energy: 1.539 local terms energy: -223.974019 where: bonds (distance) C4'-P energy: -43.754 bonds (distance) P-C4' energy: -59.323 flat angles C4'-P-C4' energy: -57.507 flat angles P-C4'-P energy: -35.584 tors. eta vs tors. theta energy: -27.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -568.142102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.142102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.142102 (E_RNA) where: Base-Base interactions energy: -335.160 where: short stacking energy: -157.869 Base-Backbone interact. energy: -0.250 local terms energy: -232.731842 where: bonds (distance) C4'-P energy: -53.115 bonds (distance) P-C4' energy: -48.109 flat angles C4'-P-C4' energy: -56.744 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -31.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -347.876856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.876856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.876856 (E_RNA) where: Base-Base interactions energy: -168.986 where: short stacking energy: -96.629 Base-Backbone interact. energy: 0.740 local terms energy: -179.631675 where: bonds (distance) C4'-P energy: -48.458 bonds (distance) P-C4' energy: -48.539 flat angles C4'-P-C4' energy: -39.843 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -379.878089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.878089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.878089 (E_RNA) where: Base-Base interactions energy: -184.141 where: short stacking energy: -96.484 Base-Backbone interact. energy: 0.893 local terms energy: -196.630081 where: bonds (distance) C4'-P energy: -59.408 bonds (distance) P-C4' energy: -54.878 flat angles C4'-P-C4' energy: -46.367 flat angles P-C4'-P energy: -30.742 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: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1112.328078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.328078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.328078 (E_RNA) where: Base-Base interactions energy: -769.348 where: short stacking energy: -326.290 Base-Backbone interact. energy: -0.635 local terms energy: -342.345620 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -64.209 flat angles C4'-P-C4' energy: -66.956 flat angles P-C4'-P energy: -48.870 tors. eta vs tors. theta energy: -100.433 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: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1081.854272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.854272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.854272 (E_RNA) where: Base-Base interactions energy: -749.106 where: short stacking energy: -304.087 Base-Backbone interact. energy: -0.411 local terms energy: -332.337646 where: bonds (distance) C4'-P energy: -75.341 bonds (distance) P-C4' energy: -62.324 flat angles C4'-P-C4' energy: -64.308 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -81.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1024.673718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.673718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.673718 (E_RNA) where: Base-Base interactions energy: -702.112 where: short stacking energy: -303.105 Base-Backbone interact. energy: -1.512 local terms energy: -321.049770 where: bonds (distance) C4'-P energy: -53.602 bonds (distance) P-C4' energy: -69.743 flat angles C4'-P-C4' energy: -66.568 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: -91.121 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: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -977.535645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.535645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.535645 (E_RNA) where: Base-Base interactions energy: -650.944 where: short stacking energy: -281.731 Base-Backbone interact. energy: -1.880 local terms energy: -324.711664 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -55.878 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -86.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -958.185691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.185691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.185691 (E_RNA) where: Base-Base interactions energy: -641.531 where: short stacking energy: -292.678 Base-Backbone interact. energy: -1.061 local terms energy: -315.594396 where: bonds (distance) C4'-P energy: -51.563 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -40.385 tors. eta vs tors. theta energy: -93.770 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: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -882.689955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.689955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.689955 (E_RNA) where: Base-Base interactions energy: -596.190 where: short stacking energy: -273.469 Base-Backbone interact. energy: 3.996 local terms energy: -290.495977 where: bonds (distance) C4'-P energy: -62.395 bonds (distance) P-C4' energy: -54.309 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: -69.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -665.683027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.683027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.683027 (E_RNA) where: Base-Base interactions energy: -403.337 where: short stacking energy: -199.010 Base-Backbone interact. energy: 0.189 local terms energy: -262.534989 where: bonds (distance) C4'-P energy: -53.827 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -50.922 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -43.633 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: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -556.513760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.513760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.513760 (E_RNA) where: Base-Base interactions energy: -344.433 where: short stacking energy: -174.405 Base-Backbone interact. energy: -0.353 local terms energy: -211.727988 where: bonds (distance) C4'-P energy: -52.827 bonds (distance) P-C4' energy: -59.702 flat angles C4'-P-C4' energy: -47.834 flat angles P-C4'-P energy: -20.085 tors. eta vs tors. theta energy: -31.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -381.726205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.726205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.726205 (E_RNA) where: Base-Base interactions energy: -211.499 where: short stacking energy: -123.342 Base-Backbone interact. energy: -1.299 local terms energy: -168.928575 where: bonds (distance) C4'-P energy: -45.046 bonds (distance) P-C4' energy: -51.860 flat angles C4'-P-C4' energy: -46.862 flat angles P-C4'-P energy: -20.787 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -336.085501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.085501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.085501 (E_RNA) where: Base-Base interactions energy: -163.383 where: short stacking energy: -84.581 Base-Backbone interact. energy: 1.621 local terms energy: -174.323287 where: bonds (distance) C4'-P energy: -53.996 bonds (distance) P-C4' energy: -54.617 flat angles C4'-P-C4' energy: -48.044 flat angles P-C4'-P energy: -26.420 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: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1153.200455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.200455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.200455 (E_RNA) where: Base-Base interactions energy: -814.851 where: short stacking energy: -333.075 Base-Backbone interact. energy: -0.288 local terms energy: -338.061406 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -52.794 flat angles C4'-P-C4' energy: -77.091 flat angles P-C4'-P energy: -51.914 tors. eta vs tors. theta energy: -94.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1091.313056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.313056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.313056 (E_RNA) where: Base-Base interactions energy: -774.953 where: short stacking energy: -326.569 Base-Backbone interact. energy: -1.645 local terms energy: -314.715039 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -56.865 flat angles C4'-P-C4' energy: -67.512 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1059.491306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.491306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.491306 (E_RNA) where: Base-Base interactions energy: -730.805 where: short stacking energy: -299.657 Base-Backbone interact. energy: -0.440 local terms energy: -328.246140 where: bonds (distance) C4'-P energy: -57.727 bonds (distance) P-C4' energy: -59.526 flat angles C4'-P-C4' energy: -70.370 flat angles P-C4'-P energy: -56.330 tors. eta vs tors. theta energy: -84.294 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: 387 Temperature: 1.050000 Total energy: -1016.748753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.748753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.748753 (E_RNA) where: Base-Base interactions energy: -696.117 where: short stacking energy: -277.653 Base-Backbone interact. energy: -2.082 local terms energy: -318.550039 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -61.195 flat angles C4'-P-C4' energy: -71.676 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -82.579 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: 387 Temperature: 1.100000 Total energy: -956.993528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.993528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.993528 (E_RNA) where: Base-Base interactions energy: -660.980 where: short stacking energy: -291.147 Base-Backbone interact. energy: -0.429 local terms energy: -295.584261 where: bonds (distance) C4'-P energy: -53.965 bonds (distance) P-C4' energy: -52.164 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -31.769 tors. eta vs tors. theta energy: -84.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -872.797682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.797682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.797682 (E_RNA) where: Base-Base interactions energy: -581.530 where: short stacking energy: -247.725 Base-Backbone interact. energy: 1.746 local terms energy: -293.013509 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -60.129 flat angles C4'-P-C4' energy: -59.209 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -79.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -697.880962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.880962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.880962 (E_RNA) where: Base-Base interactions energy: -453.825 where: short stacking energy: -211.869 Base-Backbone interact. energy: -0.159 local terms energy: -243.896247 where: bonds (distance) C4'-P energy: -56.011 bonds (distance) P-C4' energy: -57.670 flat angles C4'-P-C4' energy: -44.139 flat angles P-C4'-P energy: -35.270 tors. eta vs tors. theta energy: -50.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -583.703715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.703715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.703715 (E_RNA) where: Base-Base interactions energy: -349.065 where: short stacking energy: -174.862 Base-Backbone interact. energy: -0.575 local terms energy: -234.063401 where: bonds (distance) C4'-P energy: -54.194 bonds (distance) P-C4' energy: -52.537 flat angles C4'-P-C4' energy: -57.701 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: -34.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -350.561266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.561266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.561266 (E_RNA) where: Base-Base interactions energy: -157.942 where: short stacking energy: -89.830 Base-Backbone interact. energy: -1.732 local terms energy: -190.886942 where: bonds (distance) C4'-P energy: -53.609 bonds (distance) P-C4' energy: -62.965 flat angles C4'-P-C4' energy: -49.501 flat angles P-C4'-P energy: -32.565 tors. eta vs tors. theta energy: 7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -351.110433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.110433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.110433 (E_RNA) where: Base-Base interactions energy: -171.106 where: short stacking energy: -106.384 Base-Backbone interact. energy: -0.786 local terms energy: -179.218673 where: bonds (distance) C4'-P energy: -54.373 bonds (distance) P-C4' energy: -41.332 flat angles C4'-P-C4' energy: -51.055 flat angles P-C4'-P energy: -25.947 tors. eta vs tors. theta energy: -6.513 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1112.917575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.917575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.917575 (E_RNA) where: Base-Base interactions energy: -765.546 where: short stacking energy: -324.342 Base-Backbone interact. energy: 0.080 local terms energy: -347.451520 where: bonds (distance) C4'-P energy: -69.504 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -67.271 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -94.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1088.779911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.779911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.779911 (E_RNA) where: Base-Base interactions energy: -769.498 where: short stacking energy: -319.874 Base-Backbone interact. energy: -0.835 local terms energy: -318.446728 where: bonds (distance) C4'-P energy: -60.123 bonds (distance) P-C4' energy: -55.030 flat angles C4'-P-C4' energy: -73.539 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -85.103 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: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1019.649665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.649665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.649665 (E_RNA) where: Base-Base interactions energy: -701.951 where: short stacking energy: -288.918 Base-Backbone interact. energy: -1.684 local terms energy: -316.015308 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -69.130 flat angles C4'-P-C4' energy: -65.317 flat angles P-C4'-P energy: -38.622 tors. eta vs tors. theta energy: -88.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1004.291882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.291882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.291882 (E_RNA) where: Base-Base interactions energy: -674.296 where: short stacking energy: -273.514 Base-Backbone interact. energy: -0.511 local terms energy: -329.485156 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -64.777 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: -76.155 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: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -945.229199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.229199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.229199 (E_RNA) where: Base-Base interactions energy: -628.878 where: short stacking energy: -290.150 Base-Backbone interact. energy: 0.663 local terms energy: -317.013702 where: bonds (distance) C4'-P energy: -64.790 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -46.548 tors. eta vs tors. theta energy: -81.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -856.080037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.080037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.080037 (E_RNA) where: Base-Base interactions energy: -574.886 where: short stacking energy: -260.044 Base-Backbone interact. energy: -0.684 local terms energy: -280.509580 where: bonds (distance) C4'-P energy: -56.965 bonds (distance) P-C4' energy: -51.789 flat angles C4'-P-C4' energy: -60.964 flat angles P-C4'-P energy: -43.640 tors. eta vs tors. theta energy: -67.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -614.490131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.490131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.490131 (E_RNA) where: Base-Base interactions energy: -383.284 where: short stacking energy: -167.453 Base-Backbone interact. energy: 0.064 local terms energy: -231.270076 where: bonds (distance) C4'-P energy: -56.829 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -56.346 flat angles P-C4'-P energy: -31.180 tors. eta vs tors. theta energy: -28.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -636.665108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.665108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.665108 (E_RNA) where: Base-Base interactions energy: -402.751 where: short stacking energy: -184.436 Base-Backbone interact. energy: 1.951 local terms energy: -235.864349 where: bonds (distance) C4'-P energy: -53.633 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -58.749 flat angles P-C4'-P energy: -27.664 tors. eta vs tors. theta energy: -33.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -385.225937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.225937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.225937 (E_RNA) where: Base-Base interactions energy: -167.570 where: short stacking energy: -111.478 Base-Backbone interact. energy: 0.633 local terms energy: -218.289389 where: bonds (distance) C4'-P energy: -54.620 bonds (distance) P-C4' energy: -52.639 flat angles C4'-P-C4' energy: -62.092 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -340.521846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.521846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.521846 (E_RNA) where: Base-Base interactions energy: -162.956 where: short stacking energy: -108.170 Base-Backbone interact. energy: -1.630 local terms energy: -175.936199 where: bonds (distance) C4'-P energy: -50.021 bonds (distance) P-C4' energy: -51.951 flat angles C4'-P-C4' energy: -40.165 flat angles P-C4'-P energy: -29.612 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1141.826166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.826166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.826166 (E_RNA) where: Base-Base interactions energy: -787.613 where: short stacking energy: -323.534 Base-Backbone interact. energy: -1.538 local terms energy: -352.675766 where: bonds (distance) C4'-P energy: -64.748 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -73.055 flat angles P-C4'-P energy: -47.260 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: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1090.421170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.421170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.421170 (E_RNA) where: Base-Base interactions energy: -760.395 where: short stacking energy: -325.556 Base-Backbone interact. energy: 6.278 local terms energy: -336.304079 where: bonds (distance) C4'-P energy: -68.312 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -47.212 tors. eta vs tors. theta energy: -91.483 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: 389 Temperature: 1.000000 Total energy: -1021.705210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.705210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.705210 (E_RNA) where: Base-Base interactions energy: -684.771 where: short stacking energy: -310.761 Base-Backbone interact. energy: -2.467 local terms energy: -334.466986 where: bonds (distance) C4'-P energy: -69.829 bonds (distance) P-C4' energy: -64.155 flat angles C4'-P-C4' energy: -73.680 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -85.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -996.569823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.569823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.569823 (E_RNA) where: Base-Base interactions energy: -683.811 where: short stacking energy: -292.761 Base-Backbone interact. energy: 0.190 local terms energy: -312.948716 where: bonds (distance) C4'-P energy: -57.387 bonds (distance) P-C4' energy: -55.917 flat angles C4'-P-C4' energy: -73.615 flat angles P-C4'-P energy: -48.285 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: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -930.406773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.406773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.406773 (E_RNA) where: Base-Base interactions energy: -615.772 where: short stacking energy: -268.813 Base-Backbone interact. energy: -0.219 local terms energy: -314.415761 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -54.333 flat angles C4'-P-C4' energy: -67.269 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -78.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -870.330422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.330422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.330422 (E_RNA) where: Base-Base interactions energy: -589.765 where: short stacking energy: -248.861 Base-Backbone interact. energy: -1.106 local terms energy: -279.459011 where: bonds (distance) C4'-P energy: -44.769 bonds (distance) P-C4' energy: -64.926 flat angles C4'-P-C4' energy: -71.160 flat angles P-C4'-P energy: -28.464 tors. eta vs tors. theta energy: -70.140 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: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -623.169073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.169073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.169073 (E_RNA) where: Base-Base interactions energy: -384.736 where: short stacking energy: -180.132 Base-Backbone interact. energy: -0.851 local terms energy: -237.582026 where: bonds (distance) C4'-P energy: -45.573 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: -34.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -561.889223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.889223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.889223 (E_RNA) where: Base-Base interactions energy: -338.340 where: short stacking energy: -168.272 Base-Backbone interact. energy: -0.138 local terms energy: -223.411293 where: bonds (distance) C4'-P energy: -53.279 bonds (distance) P-C4' energy: -55.760 flat angles C4'-P-C4' energy: -52.232 flat angles P-C4'-P energy: -37.594 tors. eta vs tors. theta energy: -24.547 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -396.731229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.731229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.731229 (E_RNA) where: Base-Base interactions energy: -209.865 where: short stacking energy: -130.849 Base-Backbone interact. energy: 0.949 local terms energy: -187.815273 where: bonds (distance) C4'-P energy: -45.242 bonds (distance) P-C4' energy: -52.073 flat angles C4'-P-C4' energy: -57.471 flat angles P-C4'-P energy: -19.509 tors. eta vs tors. theta energy: -13.521 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: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -318.105184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.105184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.105184 (E_RNA) where: Base-Base interactions energy: -146.704 where: short stacking energy: -88.163 Base-Backbone interact. energy: -1.033 local terms energy: -170.368616 where: bonds (distance) C4'-P energy: -44.509 bonds (distance) P-C4' energy: -56.605 flat angles C4'-P-C4' energy: -47.018 flat angles P-C4'-P energy: -27.039 tors. eta vs tors. theta energy: 4.802 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: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1126.703690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.703690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.703690 (E_RNA) where: Base-Base interactions energy: -777.444 where: short stacking energy: -332.479 Base-Backbone interact. energy: -1.002 local terms energy: -348.257063 where: bonds (distance) C4'-P energy: -62.631 bonds (distance) P-C4' energy: -67.370 flat angles C4'-P-C4' energy: -78.019 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: -98.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1107.777903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.777903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.777903 (E_RNA) where: Base-Base interactions energy: -760.501 where: short stacking energy: -320.564 Base-Backbone interact. energy: -1.349 local terms energy: -345.927685 where: bonds (distance) C4'-P energy: -68.202 bonds (distance) P-C4' energy: -57.774 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -99.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1022.404496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.404496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.404496 (E_RNA) where: Base-Base interactions energy: -700.003 where: short stacking energy: -303.166 Base-Backbone interact. energy: -0.413 local terms energy: -321.987808 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -75.948 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: -88.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1000.746973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.746973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.746973 (E_RNA) where: Base-Base interactions energy: -669.773 where: short stacking energy: -290.662 Base-Backbone interact. energy: 1.740 local terms energy: -332.713675 where: bonds (distance) C4'-P energy: -55.315 bonds (distance) P-C4' energy: -71.250 flat angles C4'-P-C4' energy: -72.138 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -87.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -936.793364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.793364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.793364 (E_RNA) where: Base-Base interactions energy: -640.689 where: short stacking energy: -292.169 Base-Backbone interact. energy: -0.496 local terms energy: -295.609064 where: bonds (distance) C4'-P energy: -53.782 bonds (distance) P-C4' energy: -46.919 flat angles C4'-P-C4' energy: -63.986 flat angles P-C4'-P energy: -47.184 tors. eta vs tors. theta energy: -83.739 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: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -870.931108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.931108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.931108 (E_RNA) where: Base-Base interactions energy: -591.439 where: short stacking energy: -254.515 Base-Backbone interact. energy: -2.382 local terms energy: -277.109706 where: bonds (distance) C4'-P energy: -49.180 bonds (distance) P-C4' energy: -55.026 flat angles C4'-P-C4' energy: -65.390 flat angles P-C4'-P energy: -34.164 tors. eta vs tors. theta energy: -73.351 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: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -659.398441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.398441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.398441 (E_RNA) where: Base-Base interactions energy: -408.418 where: short stacking energy: -200.297 Base-Backbone interact. energy: 0.020 local terms energy: -251.000261 where: bonds (distance) C4'-P energy: -53.048 bonds (distance) P-C4' energy: -63.943 flat angles C4'-P-C4' energy: -61.354 flat angles P-C4'-P energy: -33.305 tors. eta vs tors. theta energy: -39.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -660.252576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.252576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.252576 (E_RNA) where: Base-Base interactions energy: -395.873 where: short stacking energy: -199.634 Base-Backbone interact. energy: -1.688 local terms energy: -262.691131 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -56.820 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -55.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -424.534402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.534402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.534402 (E_RNA) where: Base-Base interactions energy: -197.627 where: short stacking energy: -109.223 Base-Backbone interact. energy: 2.384 local terms energy: -229.291865 where: bonds (distance) C4'-P energy: -64.156 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -62.288 flat angles P-C4'-P energy: -29.541 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -300.690174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.690174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.690174 (E_RNA) where: Base-Base interactions energy: -135.935 where: short stacking energy: -83.773 Base-Backbone interact. energy: 1.175 local terms energy: -165.929965 where: bonds (distance) C4'-P energy: -42.273 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -44.154 flat angles P-C4'-P energy: -27.560 tors. eta vs tors. theta energy: 9.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1115.421551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.421551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.421551 (E_RNA) where: Base-Base interactions energy: -767.211 where: short stacking energy: -317.502 Base-Backbone interact. energy: 2.064 local terms energy: -350.274625 where: bonds (distance) C4'-P energy: -62.429 bonds (distance) P-C4' energy: -70.334 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -92.545 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: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1123.232760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.232760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.232760 (E_RNA) where: Base-Base interactions energy: -768.873 where: short stacking energy: -324.276 Base-Backbone interact. energy: -0.287 local terms energy: -354.072900 where: bonds (distance) C4'-P energy: -64.254 bonds (distance) P-C4' energy: -73.224 flat angles C4'-P-C4' energy: -67.854 flat angles P-C4'-P energy: -54.265 tors. eta vs tors. theta energy: -94.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1020.562392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.562392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.562392 (E_RNA) where: Base-Base interactions energy: -686.634 where: short stacking energy: -296.164 Base-Backbone interact. energy: -0.097 local terms energy: -333.831358 where: bonds (distance) C4'-P energy: -67.514 bonds (distance) P-C4' energy: -65.873 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -86.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -976.888671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.888671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.888671 (E_RNA) where: Base-Base interactions energy: -655.046 where: short stacking energy: -286.786 Base-Backbone interact. energy: -0.797 local terms energy: -321.045746 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -74.912 flat angles P-C4'-P energy: -49.241 tors. eta vs tors. theta energy: -81.162 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: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -932.972511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.972511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.972511 (E_RNA) where: Base-Base interactions energy: -648.835 where: short stacking energy: -259.098 Base-Backbone interact. energy: -2.523 local terms energy: -281.614771 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -57.877 flat angles C4'-P-C4' energy: -56.686 flat angles P-C4'-P energy: -38.776 tors. eta vs tors. theta energy: -72.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -872.121277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.121277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.121277 (E_RNA) where: Base-Base interactions energy: -567.035 where: short stacking energy: -272.316 Base-Backbone interact. energy: -0.322 local terms energy: -304.764001 where: bonds (distance) C4'-P energy: -61.927 bonds (distance) P-C4' energy: -56.296 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -73.910 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: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -598.100869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.100869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.100869 (E_RNA) where: Base-Base interactions energy: -359.092 where: short stacking energy: -170.548 Base-Backbone interact. energy: -1.150 local terms energy: -237.858889 where: bonds (distance) C4'-P energy: -54.464 bonds (distance) P-C4' energy: -62.166 flat angles C4'-P-C4' energy: -57.961 flat angles P-C4'-P energy: -26.378 tors. eta vs tors. theta energy: -36.889 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -601.775734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.775734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.775734 (E_RNA) where: Base-Base interactions energy: -371.063 where: short stacking energy: -175.210 Base-Backbone interact. energy: 0.804 local terms energy: -231.516720 where: bonds (distance) C4'-P energy: -38.356 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -61.698 flat angles P-C4'-P energy: -32.244 tors. eta vs tors. theta energy: -37.620 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -428.939028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.939028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.939028 (E_RNA) where: Base-Base interactions energy: -237.015 where: short stacking energy: -124.981 Base-Backbone interact. energy: -0.333 local terms energy: -191.591642 where: bonds (distance) C4'-P energy: -46.167 bonds (distance) P-C4' energy: -69.848 flat angles C4'-P-C4' energy: -41.616 flat angles P-C4'-P energy: -29.743 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: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -289.981369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.981369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.981369 (E_RNA) where: Base-Base interactions energy: -116.664 where: short stacking energy: -72.497 Base-Backbone interact. energy: -2.296 local terms energy: -171.020974 where: bonds (distance) C4'-P energy: -68.381 bonds (distance) P-C4' energy: -54.858 flat angles C4'-P-C4' energy: -47.188 flat angles P-C4'-P energy: -29.636 tors. eta vs tors. theta energy: 29.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1131.030346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.030346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.030346 (E_RNA) where: Base-Base interactions energy: -771.938 where: short stacking energy: -321.070 Base-Backbone interact. energy: 1.217 local terms energy: -360.309188 where: bonds (distance) C4'-P energy: -65.124 bonds (distance) P-C4' energy: -68.429 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -97.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1100.340700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.340700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.340700 (E_RNA) where: Base-Base interactions energy: -773.370 where: short stacking energy: -320.768 Base-Backbone interact. energy: -0.484 local terms energy: -326.487561 where: bonds (distance) C4'-P energy: -48.760 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -68.031 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -93.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1014.336505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.336505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.336505 (E_RNA) where: Base-Base interactions energy: -693.969 where: short stacking energy: -312.568 Base-Backbone interact. energy: 2.915 local terms energy: -323.282048 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -56.533 flat angles C4'-P-C4' energy: -75.160 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -84.188 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: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -946.093774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.093774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.093774 (E_RNA) where: Base-Base interactions energy: -631.758 where: short stacking energy: -287.098 Base-Backbone interact. energy: 0.025 local terms energy: -314.361090 where: bonds (distance) C4'-P energy: -60.835 bonds (distance) P-C4' energy: -59.782 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -75.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -960.826022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.826022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.826022 (E_RNA) where: Base-Base interactions energy: -667.500 where: short stacking energy: -266.707 Base-Backbone interact. energy: 2.568 local terms energy: -295.893831 where: bonds (distance) C4'-P energy: -59.332 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -62.061 flat angles P-C4'-P energy: -37.955 tors. eta vs tors. theta energy: -73.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -891.641435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.641435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.641435 (E_RNA) where: Base-Base interactions energy: -598.150 where: short stacking energy: -286.743 Base-Backbone interact. energy: -0.460 local terms energy: -293.032098 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -39.698 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -43.995 tors. eta vs tors. theta energy: -84.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -656.902165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.902165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.902165 (E_RNA) where: Base-Base interactions energy: -382.854 where: short stacking energy: -203.408 Base-Backbone interact. energy: 0.395 local terms energy: -274.442867 where: bonds (distance) C4'-P energy: -57.655 bonds (distance) P-C4' energy: -62.280 flat angles C4'-P-C4' energy: -54.443 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -55.363 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: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -563.781247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.781247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.781247 (E_RNA) where: Base-Base interactions energy: -328.316 where: short stacking energy: -170.813 Base-Backbone interact. energy: -1.393 local terms energy: -234.071840 where: bonds (distance) C4'-P energy: -52.545 bonds (distance) P-C4' energy: -50.835 flat angles C4'-P-C4' energy: -51.506 flat angles P-C4'-P energy: -42.698 tors. eta vs tors. theta energy: -36.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -413.685228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.685228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.685228 (E_RNA) where: Base-Base interactions energy: -209.386 where: short stacking energy: -131.442 Base-Backbone interact. energy: -1.303 local terms energy: -202.996582 where: bonds (distance) C4'-P energy: -48.904 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -42.978 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -23.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -295.015912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.015912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.015912 (E_RNA) where: Base-Base interactions energy: -103.065 where: short stacking energy: -90.492 Base-Backbone interact. energy: 4.336 local terms energy: -196.286870 where: bonds (distance) C4'-P energy: -57.993 bonds (distance) P-C4' energy: -56.427 flat angles C4'-P-C4' energy: -59.486 flat angles P-C4'-P energy: -21.822 tors. eta vs tors. theta energy: -0.558 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1125.698999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.698999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.698999 (E_RNA) where: Base-Base interactions energy: -778.445 where: short stacking energy: -312.645 Base-Backbone interact. energy: -1.099 local terms energy: -346.154443 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -91.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1104.794560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.794560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.794560 (E_RNA) where: Base-Base interactions energy: -771.539 where: short stacking energy: -319.305 Base-Backbone interact. energy: -1.757 local terms energy: -331.498579 where: bonds (distance) C4'-P energy: -55.994 bonds (distance) P-C4' energy: -65.985 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -47.805 tors. eta vs tors. theta energy: -90.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1003.667627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.667627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.667627 (E_RNA) where: Base-Base interactions energy: -677.756 where: short stacking energy: -300.568 Base-Backbone interact. energy: -1.579 local terms energy: -324.333256 where: bonds (distance) C4'-P energy: -60.974 bonds (distance) P-C4' energy: -60.199 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -43.420 tors. eta vs tors. theta energy: -81.979 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -986.240344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.240344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.240344 (E_RNA) where: Base-Base interactions energy: -692.538 where: short stacking energy: -300.635 Base-Backbone interact. energy: 0.255 local terms energy: -293.958076 where: bonds (distance) C4'-P energy: -57.788 bonds (distance) P-C4' energy: -54.339 flat angles C4'-P-C4' energy: -62.232 flat angles P-C4'-P energy: -32.999 tors. eta vs tors. theta energy: -86.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -950.959341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.959341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.959341 (E_RNA) where: Base-Base interactions energy: -655.322 where: short stacking energy: -302.388 Base-Backbone interact. energy: -0.563 local terms energy: -295.074241 where: bonds (distance) C4'-P energy: -46.612 bonds (distance) P-C4' energy: -47.872 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -81.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -843.226895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.226895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.226895 (E_RNA) where: Base-Base interactions energy: -548.956 where: short stacking energy: -260.185 Base-Backbone interact. energy: -0.416 local terms energy: -293.855096 where: bonds (distance) C4'-P energy: -55.986 bonds (distance) P-C4' energy: -65.144 flat angles C4'-P-C4' energy: -59.098 flat angles P-C4'-P energy: -38.013 tors. eta vs tors. theta energy: -75.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -607.239391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.239391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.239391 (E_RNA) where: Base-Base interactions energy: -367.131 where: short stacking energy: -177.966 Base-Backbone interact. energy: 1.216 local terms energy: -241.324171 where: bonds (distance) C4'-P energy: -59.827 bonds (distance) P-C4' energy: -52.551 flat angles C4'-P-C4' energy: -55.258 flat angles P-C4'-P energy: -34.012 tors. eta vs tors. theta energy: -39.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -591.650109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.650109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.650109 (E_RNA) where: Base-Base interactions energy: -358.258 where: short stacking energy: -168.849 Base-Backbone interact. energy: -2.064 local terms energy: -231.327992 where: bonds (distance) C4'-P energy: -55.805 bonds (distance) P-C4' energy: -62.671 flat angles C4'-P-C4' energy: -57.136 flat angles P-C4'-P energy: -29.229 tors. eta vs tors. theta energy: -26.488 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: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -414.404916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.404916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.404916 (E_RNA) where: Base-Base interactions energy: -218.765 where: short stacking energy: -115.335 Base-Backbone interact. energy: 0.403 local terms energy: -196.042588 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -49.178 flat angles C4'-P-C4' energy: -42.341 flat angles P-C4'-P energy: -33.351 tors. eta vs tors. theta energy: -14.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -277.546188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.546188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.546188 (E_RNA) where: Base-Base interactions energy: -105.207 where: short stacking energy: -86.880 Base-Backbone interact. energy: -1.774 local terms energy: -170.565899 where: bonds (distance) C4'-P energy: -52.147 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -45.282 flat angles P-C4'-P energy: -29.194 tors. eta vs tors. theta energy: 16.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1129.744902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.744902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.744902 (E_RNA) where: Base-Base interactions energy: -774.354 where: short stacking energy: -336.195 Base-Backbone interact. energy: 0.469 local terms energy: -355.859936 where: bonds (distance) C4'-P energy: -64.169 bonds (distance) P-C4' energy: -59.883 flat angles C4'-P-C4' energy: -84.903 flat angles P-C4'-P energy: -50.430 tors. eta vs tors. theta energy: -96.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1065.568870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.568870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.568870 (E_RNA) where: Base-Base interactions energy: -746.438 where: short stacking energy: -318.581 Base-Backbone interact. energy: -2.295 local terms energy: -316.835835 where: bonds (distance) C4'-P energy: -47.473 bonds (distance) P-C4' energy: -68.247 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: -93.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1040.387097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.387097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.387097 (E_RNA) where: Base-Base interactions energy: -719.062 where: short stacking energy: -298.762 Base-Backbone interact. energy: -2.520 local terms energy: -318.804806 where: bonds (distance) C4'-P energy: -51.541 bonds (distance) P-C4' energy: -62.663 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -90.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -960.900423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.900423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.900423 (E_RNA) where: Base-Base interactions energy: -660.110 where: short stacking energy: -273.490 Base-Backbone interact. energy: -1.006 local terms energy: -299.785018 where: bonds (distance) C4'-P energy: -54.478 bonds (distance) P-C4' energy: -60.886 flat angles C4'-P-C4' energy: -65.298 flat angles P-C4'-P energy: -45.181 tors. eta vs tors. theta energy: -73.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -947.437686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.437686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.437686 (E_RNA) where: Base-Base interactions energy: -644.426 where: short stacking energy: -279.327 Base-Backbone interact. energy: -0.915 local terms energy: -302.096864 where: bonds (distance) C4'-P energy: -55.595 bonds (distance) P-C4' energy: -59.642 flat angles C4'-P-C4' energy: -69.554 flat angles P-C4'-P energy: -38.566 tors. eta vs tors. theta energy: -78.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -824.691638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.691638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.691638 (E_RNA) where: Base-Base interactions energy: -512.953 where: short stacking energy: -258.275 Base-Backbone interact. energy: -0.936 local terms energy: -310.802063 where: bonds (distance) C4'-P energy: -57.346 bonds (distance) P-C4' energy: -69.715 flat angles C4'-P-C4' energy: -73.717 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -68.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -634.559901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.559901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.559901 (E_RNA) where: Base-Base interactions energy: -384.969 where: short stacking energy: -189.701 Base-Backbone interact. energy: -0.137 local terms energy: -249.454089 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -56.051 flat angles C4'-P-C4' energy: -65.086 flat angles P-C4'-P energy: -33.533 tors. eta vs tors. theta energy: -39.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -583.375239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.375239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.375239 (E_RNA) where: Base-Base interactions energy: -346.686 where: short stacking energy: -185.394 Base-Backbone interact. energy: 1.680 local terms energy: -238.368894 where: bonds (distance) C4'-P energy: -44.887 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -48.419 flat angles P-C4'-P energy: -35.441 tors. eta vs tors. theta energy: -43.721 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: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -398.671178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.671178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.671178 (E_RNA) where: Base-Base interactions energy: -223.556 where: short stacking energy: -122.793 Base-Backbone interact. energy: -0.099 local terms energy: -175.016344 where: bonds (distance) C4'-P energy: -48.720 bonds (distance) P-C4' energy: -47.693 flat angles C4'-P-C4' energy: -46.818 flat angles P-C4'-P energy: -26.218 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -261.614803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.614803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.614803 (E_RNA) where: Base-Base interactions energy: -90.145 where: short stacking energy: -78.166 Base-Backbone interact. energy: -0.737 local terms energy: -170.733537 where: bonds (distance) C4'-P energy: -53.743 bonds (distance) P-C4' energy: -53.208 flat angles C4'-P-C4' energy: -46.267 flat angles P-C4'-P energy: -26.893 tors. eta vs tors. theta energy: 9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1123.428888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.428888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.428888 (E_RNA) where: Base-Base interactions energy: -763.870 where: short stacking energy: -326.305 Base-Backbone interact. energy: -1.568 local terms energy: -357.991474 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -78.027 flat angles P-C4'-P energy: -55.264 tors. eta vs tors. theta energy: -95.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1092.056352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.056352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.056352 (E_RNA) where: Base-Base interactions energy: -752.446 where: short stacking energy: -322.444 Base-Backbone interact. energy: -1.189 local terms energy: -338.421673 where: bonds (distance) C4'-P energy: -61.901 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -73.430 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -97.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1037.631818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.631818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.631818 (E_RNA) where: Base-Base interactions energy: -694.915 where: short stacking energy: -297.883 Base-Backbone interact. energy: -2.136 local terms energy: -340.581521 where: bonds (distance) C4'-P energy: -63.583 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -73.994 flat angles P-C4'-P energy: -55.887 tors. eta vs tors. theta energy: -90.134 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: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -972.088500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.088500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.088500 (E_RNA) where: Base-Base interactions energy: -658.144 where: short stacking energy: -274.407 Base-Backbone interact. energy: 0.283 local terms energy: -314.226918 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -60.140 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -83.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -904.118050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.118050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.118050 (E_RNA) where: Base-Base interactions energy: -625.637 where: short stacking energy: -260.573 Base-Backbone interact. energy: 0.037 local terms energy: -278.517468 where: bonds (distance) C4'-P energy: -56.810 bonds (distance) P-C4' energy: -53.120 flat angles C4'-P-C4' energy: -60.043 flat angles P-C4'-P energy: -38.276 tors. eta vs tors. theta energy: -70.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -834.689563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.689563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.689563 (E_RNA) where: Base-Base interactions energy: -553.933 where: short stacking energy: -254.629 Base-Backbone interact. energy: -1.440 local terms energy: -279.317294 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -47.539 flat angles C4'-P-C4' energy: -73.011 flat angles P-C4'-P energy: -37.645 tors. eta vs tors. theta energy: -66.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -611.675907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.675907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.675907 (E_RNA) where: Base-Base interactions energy: -386.502 where: short stacking energy: -184.411 Base-Backbone interact. energy: -0.479 local terms energy: -224.694325 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -37.548 flat angles C4'-P-C4' energy: -52.825 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: -31.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -600.286076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.286076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.286076 (E_RNA) where: Base-Base interactions energy: -373.509 where: short stacking energy: -180.776 Base-Backbone interact. energy: -1.137 local terms energy: -225.640513 where: bonds (distance) C4'-P energy: -44.527 bonds (distance) P-C4' energy: -62.116 flat angles C4'-P-C4' energy: -61.908 flat angles P-C4'-P energy: -26.283 tors. eta vs tors. theta energy: -30.807 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: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -435.558612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.558612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.558612 (E_RNA) where: Base-Base interactions energy: -220.891 where: short stacking energy: -126.735 Base-Backbone interact. energy: 5.152 local terms energy: -219.819285 where: bonds (distance) C4'-P energy: -60.959 bonds (distance) P-C4' energy: -54.810 flat angles C4'-P-C4' energy: -51.937 flat angles P-C4'-P energy: -32.285 tors. eta vs tors. theta energy: -19.829 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: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -259.255802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.255802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.255802 (E_RNA) where: Base-Base interactions energy: -92.298 where: short stacking energy: -64.155 Base-Backbone interact. energy: -1.360 local terms energy: -165.597672 where: bonds (distance) C4'-P energy: -60.895 bonds (distance) P-C4' energy: -46.930 flat angles C4'-P-C4' energy: -48.075 flat angles P-C4'-P energy: -23.559 tors. eta vs tors. theta energy: 13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1128.955486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.955486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.955486 (E_RNA) where: Base-Base interactions energy: -775.919 where: short stacking energy: -325.552 Base-Backbone interact. energy: -0.424 local terms energy: -352.612828 where: bonds (distance) C4'-P energy: -70.427 bonds (distance) P-C4' energy: -72.017 flat angles C4'-P-C4' energy: -66.021 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -94.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1090.158528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.158528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.158528 (E_RNA) where: Base-Base interactions energy: -754.855 where: short stacking energy: -323.543 Base-Backbone interact. energy: -1.032 local terms energy: -334.271798 where: bonds (distance) C4'-P energy: -56.572 bonds (distance) P-C4' energy: -70.563 flat angles C4'-P-C4' energy: -72.818 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -93.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1038.321437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.321437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.321437 (E_RNA) where: Base-Base interactions energy: -701.036 where: short stacking energy: -287.602 Base-Backbone interact. energy: -3.724 local terms energy: -333.561203 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -71.135 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -47.764 tors. eta vs tors. theta energy: -85.244 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: 4, replica: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -977.788934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.788934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.788934 (E_RNA) where: Base-Base interactions energy: -676.060 where: short stacking energy: -281.396 Base-Backbone interact. energy: -1.253 local terms energy: -300.475561 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -57.106 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -72.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -944.948008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.948008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.948008 (E_RNA) where: Base-Base interactions energy: -650.103 where: short stacking energy: -279.975 Base-Backbone interact. energy: -0.556 local terms energy: -294.289412 where: bonds (distance) C4'-P energy: -50.750 bonds (distance) P-C4' energy: -58.869 flat angles C4'-P-C4' energy: -67.147 flat angles P-C4'-P energy: -47.500 tors. eta vs tors. theta energy: -70.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -803.213454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.213454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.213454 (E_RNA) where: Base-Base interactions energy: -530.205 where: short stacking energy: -226.570 Base-Backbone interact. energy: -0.341 local terms energy: -272.667866 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -51.539 flat angles C4'-P-C4' energy: -54.960 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -56.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -641.977578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.977578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.977578 (E_RNA) where: Base-Base interactions energy: -407.434 where: short stacking energy: -202.861 Base-Backbone interact. energy: -0.958 local terms energy: -233.586045 where: bonds (distance) C4'-P energy: -55.460 bonds (distance) P-C4' energy: -54.078 flat angles C4'-P-C4' energy: -59.673 flat angles P-C4'-P energy: -22.240 tors. eta vs tors. theta energy: -42.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -618.759303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.759303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.759303 (E_RNA) where: Base-Base interactions energy: -395.340 where: short stacking energy: -182.343 Base-Backbone interact. energy: 3.869 local terms energy: -227.288450 where: bonds (distance) C4'-P energy: -52.561 bonds (distance) P-C4' energy: -50.819 flat angles C4'-P-C4' energy: -63.336 flat angles P-C4'-P energy: -27.508 tors. eta vs tors. theta energy: -33.065 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: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -384.360098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.360098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.360098 (E_RNA) where: Base-Base interactions energy: -191.068 where: short stacking energy: -127.084 Base-Backbone interact. energy: 1.566 local terms energy: -194.857455 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -40.911 flat angles C4'-P-C4' energy: -52.746 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: -6.225 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: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -265.260987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.260987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.260987 (E_RNA) where: Base-Base interactions energy: -90.597 where: short stacking energy: -78.300 Base-Backbone interact. energy: 0.813 local terms energy: -175.477647 where: bonds (distance) C4'-P energy: -47.248 bonds (distance) P-C4' energy: -42.486 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -29.777 tors. eta vs tors. theta energy: 6.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1125.811897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.811897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.811897 (E_RNA) where: Base-Base interactions energy: -780.238 where: short stacking energy: -338.950 Base-Backbone interact. energy: -0.437 local terms energy: -345.137101 where: bonds (distance) C4'-P energy: -67.330 bonds (distance) P-C4' energy: -50.913 flat angles C4'-P-C4' energy: -77.469 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -99.958 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: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1104.643343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.643343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.643343 (E_RNA) where: Base-Base interactions energy: -759.357 where: short stacking energy: -323.205 Base-Backbone interact. energy: -0.719 local terms energy: -344.566552 where: bonds (distance) C4'-P energy: -63.554 bonds (distance) P-C4' energy: -62.667 flat angles C4'-P-C4' energy: -77.540 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -96.167 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: 397 Temperature: 1.000000 Total energy: -1002.796604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.796604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.796604 (E_RNA) where: Base-Base interactions energy: -702.142 where: short stacking energy: -276.074 Base-Backbone interact. energy: 0.289 local terms energy: -300.944170 where: bonds (distance) C4'-P energy: -60.501 bonds (distance) P-C4' energy: -47.116 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -77.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -988.808088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.808088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.808088 (E_RNA) where: Base-Base interactions energy: -691.667 where: short stacking energy: -295.427 Base-Backbone interact. energy: 2.295 local terms energy: -299.435747 where: bonds (distance) C4'-P energy: -48.160 bonds (distance) P-C4' energy: -55.247 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -40.753 tors. eta vs tors. theta energy: -84.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -929.007261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.007261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.007261 (E_RNA) where: Base-Base interactions energy: -639.176 where: short stacking energy: -268.791 Base-Backbone interact. energy: -0.799 local terms energy: -289.032183 where: bonds (distance) C4'-P energy: -55.312 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -52.796 flat angles P-C4'-P energy: -46.957 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: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -888.237667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.237667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.237667 (E_RNA) where: Base-Base interactions energy: -605.199 where: short stacking energy: -262.802 Base-Backbone interact. energy: -0.076 local terms energy: -282.962643 where: bonds (distance) C4'-P energy: -48.863 bonds (distance) P-C4' energy: -56.860 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: -73.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -654.106087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.106087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.106087 (E_RNA) where: Base-Base interactions energy: -396.224 where: short stacking energy: -201.810 Base-Backbone interact. energy: 0.607 local terms energy: -258.489006 where: bonds (distance) C4'-P energy: -66.169 bonds (distance) P-C4' energy: -73.217 flat angles C4'-P-C4' energy: -49.914 flat angles P-C4'-P energy: -30.696 tors. eta vs tors. theta energy: -38.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -577.705436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.705436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.705436 (E_RNA) where: Base-Base interactions energy: -344.090 where: short stacking energy: -175.065 Base-Backbone interact. energy: 3.703 local terms energy: -237.319247 where: bonds (distance) C4'-P energy: -52.914 bonds (distance) P-C4' energy: -56.890 flat angles C4'-P-C4' energy: -57.555 flat angles P-C4'-P energy: -29.006 tors. eta vs tors. theta energy: -40.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -344.806842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.806842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.806842 (E_RNA) where: Base-Base interactions energy: -181.550 where: short stacking energy: -110.608 Base-Backbone interact. energy: 2.891 local terms energy: -166.147433 where: bonds (distance) C4'-P energy: -45.059 bonds (distance) P-C4' energy: -62.675 flat angles C4'-P-C4' energy: -51.840 flat angles P-C4'-P energy: -18.669 tors. eta vs tors. theta energy: 12.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -299.564647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.564647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.564647 (E_RNA) where: Base-Base interactions energy: -130.694 where: short stacking energy: -102.022 Base-Backbone interact. energy: 0.341 local terms energy: -169.211948 where: bonds (distance) C4'-P energy: -53.382 bonds (distance) P-C4' energy: -45.903 flat angles C4'-P-C4' energy: -40.109 flat angles P-C4'-P energy: -30.589 tors. eta vs tors. theta energy: 0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1131.431026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.431026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.431026 (E_RNA) where: Base-Base interactions energy: -771.585 where: short stacking energy: -325.279 Base-Backbone interact. energy: -0.854 local terms energy: -358.992141 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -62.756 flat angles C4'-P-C4' energy: -76.997 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -96.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1082.790800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.790800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.790800 (E_RNA) where: Base-Base interactions energy: -745.446 where: short stacking energy: -324.666 Base-Backbone interact. energy: -1.222 local terms energy: -336.122987 where: bonds (distance) C4'-P energy: -62.116 bonds (distance) P-C4' energy: -58.827 flat angles C4'-P-C4' energy: -68.768 flat angles P-C4'-P energy: -53.394 tors. eta vs tors. theta energy: -93.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1028.703054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.703054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.703054 (E_RNA) where: Base-Base interactions energy: -699.231 where: short stacking energy: -297.834 Base-Backbone interact. energy: -1.282 local terms energy: -328.190800 where: bonds (distance) C4'-P energy: -59.551 bonds (distance) P-C4' energy: -59.296 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -49.192 tors. eta vs tors. theta energy: -93.660 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: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -958.980560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.980560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.980560 (E_RNA) where: Base-Base interactions energy: -642.991 where: short stacking energy: -265.709 Base-Backbone interact. energy: -2.440 local terms energy: -313.549906 where: bonds (distance) C4'-P energy: -62.641 bonds (distance) P-C4' energy: -64.225 flat angles C4'-P-C4' energy: -68.118 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -79.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -980.118312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.118312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.118312 (E_RNA) where: Base-Base interactions energy: -651.063 where: short stacking energy: -288.667 Base-Backbone interact. energy: -0.951 local terms energy: -328.104087 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -60.748 flat angles C4'-P-C4' energy: -72.115 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -84.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -894.541900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.541900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.541900 (E_RNA) where: Base-Base interactions energy: -593.899 where: short stacking energy: -254.094 Base-Backbone interact. energy: -1.790 local terms energy: -298.852495 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -56.218 flat angles P-C4'-P energy: -51.629 tors. eta vs tors. theta energy: -74.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -625.568162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.568162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.568162 (E_RNA) where: Base-Base interactions energy: -391.234 where: short stacking energy: -192.877 Base-Backbone interact. energy: -2.789 local terms energy: -231.544775 where: bonds (distance) C4'-P energy: -55.509 bonds (distance) P-C4' energy: -51.698 flat angles C4'-P-C4' energy: -51.158 flat angles P-C4'-P energy: -34.100 tors. eta vs tors. theta energy: -39.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -626.109147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.109147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.109147 (E_RNA) where: Base-Base interactions energy: -374.964 where: short stacking energy: -193.592 Base-Backbone interact. energy: -2.114 local terms energy: -249.031436 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -42.971 flat angles C4'-P-C4' energy: -50.273 flat angles P-C4'-P energy: -37.841 tors. eta vs tors. theta energy: -48.519 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: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -301.858894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.858894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.858894 (E_RNA) where: Base-Base interactions energy: -115.545 where: short stacking energy: -102.237 Base-Backbone interact. energy: 4.795 local terms energy: -191.108701 where: bonds (distance) C4'-P energy: -55.360 bonds (distance) P-C4' energy: -59.072 flat angles C4'-P-C4' energy: -41.912 flat angles P-C4'-P energy: -30.531 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: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -322.844341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.844341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.844341 (E_RNA) where: Base-Base interactions energy: -151.904 where: short stacking energy: -113.070 Base-Backbone interact. energy: 0.062 local terms energy: -171.002635 where: bonds (distance) C4'-P energy: -51.019 bonds (distance) P-C4' energy: -55.643 flat angles C4'-P-C4' energy: -48.005 flat angles P-C4'-P energy: -14.084 tors. eta vs tors. theta energy: -2.251 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: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1117.629921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.629921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.629921 (E_RNA) where: Base-Base interactions energy: -757.458 where: short stacking energy: -325.478 Base-Backbone interact. energy: -1.982 local terms energy: -358.189981 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -69.285 flat angles C4'-P-C4' energy: -80.336 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -97.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1081.805576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.805576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.805576 (E_RNA) where: Base-Base interactions energy: -756.868 where: short stacking energy: -331.937 Base-Backbone interact. energy: 2.990 local terms energy: -327.928059 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -65.408 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: -91.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1021.047096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.047096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.047096 (E_RNA) where: Base-Base interactions energy: -697.021 where: short stacking energy: -286.524 Base-Backbone interact. energy: -1.237 local terms energy: -322.788967 where: bonds (distance) C4'-P energy: -62.665 bonds (distance) P-C4' energy: -63.597 flat angles C4'-P-C4' energy: -67.068 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -82.771 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: 399 Temperature: 1.050000 Total energy: -965.121682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.121682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.121682 (E_RNA) where: Base-Base interactions energy: -663.567 where: short stacking energy: -290.467 Base-Backbone interact. energy: -2.443 local terms energy: -299.112050 where: bonds (distance) C4'-P energy: -43.437 bonds (distance) P-C4' energy: -53.932 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: -82.841 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: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -954.619165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.619165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.619165 (E_RNA) where: Base-Base interactions energy: -666.023 where: short stacking energy: -266.911 Base-Backbone interact. energy: -0.274 local terms energy: -288.321624 where: bonds (distance) C4'-P energy: -46.213 bonds (distance) P-C4' energy: -60.662 flat angles C4'-P-C4' energy: -55.837 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -81.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -885.398273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.398273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.398273 (E_RNA) where: Base-Base interactions energy: -594.017 where: short stacking energy: -243.544 Base-Backbone interact. energy: -1.796 local terms energy: -289.585532 where: bonds (distance) C4'-P energy: -46.233 bonds (distance) P-C4' energy: -66.993 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -45.939 tors. eta vs tors. theta energy: -69.074 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: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -643.304962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.304962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.304962 (E_RNA) where: Base-Base interactions energy: -395.320 where: short stacking energy: -208.069 Base-Backbone interact. energy: -2.142 local terms energy: -245.842419 where: bonds (distance) C4'-P energy: -53.483 bonds (distance) P-C4' energy: -60.419 flat angles C4'-P-C4' energy: -55.428 flat angles P-C4'-P energy: -29.927 tors. eta vs tors. theta energy: -46.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -626.895706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.895706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.895706 (E_RNA) where: Base-Base interactions energy: -377.560 where: short stacking energy: -201.274 Base-Backbone interact. energy: -1.763 local terms energy: -247.572465 where: bonds (distance) C4'-P energy: -49.612 bonds (distance) P-C4' energy: -57.964 flat angles C4'-P-C4' energy: -57.980 flat angles P-C4'-P energy: -34.337 tors. eta vs tors. theta energy: -47.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -297.248121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.248121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.248121 (E_RNA) where: Base-Base interactions energy: -99.769 where: short stacking energy: -95.427 Base-Backbone interact. energy: -1.633 local terms energy: -195.845845 where: bonds (distance) C4'-P energy: -39.370 bonds (distance) P-C4' energy: -58.851 flat angles C4'-P-C4' energy: -48.992 flat angles P-C4'-P energy: -38.568 tors. eta vs tors. theta energy: -10.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -332.410043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.410043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.410043 (E_RNA) where: Base-Base interactions energy: -150.228 where: short stacking energy: -91.984 Base-Backbone interact. energy: -1.442 local terms energy: -180.740011 where: bonds (distance) C4'-P energy: -60.401 bonds (distance) P-C4' energy: -48.035 flat angles C4'-P-C4' energy: -52.981 flat angles P-C4'-P energy: -23.895 tors. eta vs tors. theta energy: 4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1119.734958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.734958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.734958 (E_RNA) where: Base-Base interactions energy: -769.147 where: short stacking energy: -340.383 Base-Backbone interact. energy: -0.422 local terms energy: -350.165670 where: bonds (distance) C4'-P energy: -61.274 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -72.499 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: -94.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1120.898119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.898119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.898119 (E_RNA) where: Base-Base interactions energy: -766.708 where: short stacking energy: -319.031 Base-Backbone interact. energy: -1.673 local terms energy: -352.517379 where: bonds (distance) C4'-P energy: -65.177 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -96.127 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: 3, replica: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1027.906613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.906613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.906613 (E_RNA) where: Base-Base interactions energy: -698.967 where: short stacking energy: -296.486 Base-Backbone interact. energy: -4.550 local terms energy: -324.389484 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -61.997 flat angles C4'-P-C4' energy: -78.063 flat angles P-C4'-P energy: -41.937 tors. eta vs tors. theta energy: -79.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -947.447726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.447726 (E_RNA) where: Base-Base interactions energy: -653.470 where: short stacking energy: -276.453 Base-Backbone interact. energy: -1.788 local terms energy: -292.189365 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -56.104 flat angles C4'-P-C4' energy: -56.332 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -78.690 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: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -967.927389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.927389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.927389 (E_RNA) where: Base-Base interactions energy: -680.104 where: short stacking energy: -280.236 Base-Backbone interact. energy: -2.365 local terms energy: -285.457950 where: bonds (distance) C4'-P energy: -41.196 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -69.799 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: -71.937 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: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -868.981997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.981997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.981997 (E_RNA) where: Base-Base interactions energy: -581.986 where: short stacking energy: -251.146 Base-Backbone interact. energy: -0.651 local terms energy: -286.345318 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -57.983 flat angles C4'-P-C4' energy: -65.435 flat angles P-C4'-P energy: -36.585 tors. eta vs tors. theta energy: -67.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -626.773739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.773739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.773739 (E_RNA) where: Base-Base interactions energy: -383.770 where: short stacking energy: -193.478 Base-Backbone interact. energy: -0.430 local terms energy: -242.574522 where: bonds (distance) C4'-P energy: -45.133 bonds (distance) P-C4' energy: -61.784 flat angles C4'-P-C4' energy: -67.232 flat angles P-C4'-P energy: -26.971 tors. eta vs tors. theta energy: -41.454 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: 400 Temperature: 1.250000 Total energy: -604.506549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.506549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.506549 (E_RNA) where: Base-Base interactions energy: -375.818 where: short stacking energy: -171.349 Base-Backbone interact. energy: 1.339 local terms energy: -230.027081 where: bonds (distance) C4'-P energy: -47.148 bonds (distance) P-C4' energy: -52.921 flat angles C4'-P-C4' energy: -51.328 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -41.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -356.337522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.337522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.337522 (E_RNA) where: Base-Base interactions energy: -172.588 where: short stacking energy: -88.521 Base-Backbone interact. energy: 4.929 local terms energy: -188.678203 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -45.928 flat angles C4'-P-C4' energy: -50.247 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -2.413 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: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -266.039550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.039550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.039550 (E_RNA) where: Base-Base interactions energy: -101.578 where: short stacking energy: -68.304 Base-Backbone interact. energy: -1.338 local terms energy: -163.123242 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -48.562 flat angles C4'-P-C4' energy: -47.401 flat angles P-C4'-P energy: -29.029 tors. eta vs tors. theta energy: 21.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1103.710344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.710344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.710344 (E_RNA) where: Base-Base interactions energy: -772.141 where: short stacking energy: -339.527 Base-Backbone interact. energy: 0.334 local terms energy: -331.903629 where: bonds (distance) C4'-P energy: -64.271 bonds (distance) P-C4' energy: -59.261 flat angles C4'-P-C4' energy: -69.415 flat angles P-C4'-P energy: -48.144 tors. eta vs tors. theta energy: -90.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1094.528171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.528171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.528171 (E_RNA) where: Base-Base interactions energy: -738.600 where: short stacking energy: -321.606 Base-Backbone interact. energy: -0.352 local terms energy: -355.576619 where: bonds (distance) C4'-P energy: -69.136 bonds (distance) P-C4' energy: -69.137 flat angles C4'-P-C4' energy: -72.436 flat angles P-C4'-P energy: -47.480 tors. eta vs tors. theta energy: -97.388 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: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1027.072690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.072690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.072690 (E_RNA) where: Base-Base interactions energy: -709.943 where: short stacking energy: -304.795 Base-Backbone interact. energy: -0.357 local terms energy: -316.772975 where: bonds (distance) C4'-P energy: -55.354 bonds (distance) P-C4' energy: -68.218 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -48.016 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: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1008.216876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.216876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.216876 (E_RNA) where: Base-Base interactions energy: -693.693 where: short stacking energy: -291.778 Base-Backbone interact. energy: -1.360 local terms energy: -313.163549 where: bonds (distance) C4'-P energy: -53.710 bonds (distance) P-C4' energy: -66.379 flat angles C4'-P-C4' energy: -58.548 flat angles P-C4'-P energy: -46.950 tors. eta vs tors. theta energy: -87.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -904.464127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.464127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.464127 (E_RNA) where: Base-Base interactions energy: -614.851 where: short stacking energy: -271.910 Base-Backbone interact. energy: -2.704 local terms energy: -286.908807 where: bonds (distance) C4'-P energy: -52.991 bonds (distance) P-C4' energy: -55.333 flat angles C4'-P-C4' energy: -66.721 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -68.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -818.433528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.433528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.433528 (E_RNA) where: Base-Base interactions energy: -558.997 where: short stacking energy: -234.303 Base-Backbone interact. energy: -1.195 local terms energy: -258.240964 where: bonds (distance) C4'-P energy: -51.380 bonds (distance) P-C4' energy: -52.856 flat angles C4'-P-C4' energy: -55.508 flat angles P-C4'-P energy: -37.591 tors. eta vs tors. theta energy: -60.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -615.455525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.455525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.455525 (E_RNA) where: Base-Base interactions energy: -374.962 where: short stacking energy: -192.578 Base-Backbone interact. energy: -1.616 local terms energy: -238.877233 where: bonds (distance) C4'-P energy: -61.052 bonds (distance) P-C4' energy: -50.048 flat angles C4'-P-C4' energy: -54.570 flat angles P-C4'-P energy: -30.795 tors. eta vs tors. theta energy: -42.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -635.561579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.561579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.561579 (E_RNA) where: Base-Base interactions energy: -394.604 where: short stacking energy: -203.917 Base-Backbone interact. energy: -0.552 local terms energy: -240.405014 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -49.789 flat angles C4'-P-C4' energy: -57.004 flat angles P-C4'-P energy: -30.920 tors. eta vs tors. theta energy: -47.023 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: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -385.715506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.715506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.715506 (E_RNA) where: Base-Base interactions energy: -200.882 where: short stacking energy: -117.404 Base-Backbone interact. energy: -0.438 local terms energy: -184.395028 where: bonds (distance) C4'-P energy: -45.637 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -32.537 flat angles P-C4'-P energy: -30.442 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -287.820549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.820549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.820549 (E_RNA) where: Base-Base interactions energy: -111.486 where: short stacking energy: -101.189 Base-Backbone interact. energy: -0.570 local terms energy: -175.764331 where: bonds (distance) C4'-P energy: -52.503 bonds (distance) P-C4' energy: -51.863 flat angles C4'-P-C4' energy: -32.239 flat angles P-C4'-P energy: -32.327 tors. eta vs tors. theta energy: -6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1120.374515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.374515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.374515 (E_RNA) where: Base-Base interactions energy: -778.345 where: short stacking energy: -325.025 Base-Backbone interact. energy: -1.760 local terms energy: -340.270327 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -65.961 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -96.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1100.528448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.528448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.528448 (E_RNA) where: Base-Base interactions energy: -760.660 where: short stacking energy: -317.559 Base-Backbone interact. energy: -0.519 local terms energy: -339.349720 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -67.425 flat angles C4'-P-C4' energy: -74.532 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -94.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1034.697045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.697045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.697045 (E_RNA) where: Base-Base interactions energy: -704.801 where: short stacking energy: -300.352 Base-Backbone interact. energy: -0.899 local terms energy: -328.997378 where: bonds (distance) C4'-P energy: -58.469 bonds (distance) P-C4' energy: -63.594 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -82.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1033.758607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.758607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.758607 (E_RNA) where: Base-Base interactions energy: -703.305 where: short stacking energy: -281.232 Base-Backbone interact. energy: -4.118 local terms energy: -326.336012 where: bonds (distance) C4'-P energy: -69.104 bonds (distance) P-C4' energy: -65.941 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -42.215 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: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -910.204380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.204380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.204380 (E_RNA) where: Base-Base interactions energy: -645.802 where: short stacking energy: -274.831 Base-Backbone interact. energy: 1.695 local terms energy: -266.096866 where: bonds (distance) C4'-P energy: -46.467 bonds (distance) P-C4' energy: -61.384 flat angles C4'-P-C4' energy: -59.835 flat angles P-C4'-P energy: -32.457 tors. eta vs tors. theta energy: -65.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -816.837702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.837702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.837702 (E_RNA) where: Base-Base interactions energy: -536.987 where: short stacking energy: -217.250 Base-Backbone interact. energy: 0.050 local terms energy: -279.900728 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -59.637 flat angles C4'-P-C4' energy: -68.522 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -53.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -622.984072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.984072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.984072 (E_RNA) where: Base-Base interactions energy: -372.662 where: short stacking energy: -184.152 Base-Backbone interact. energy: 0.045 local terms energy: -250.366953 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -55.435 flat angles C4'-P-C4' energy: -61.494 flat angles P-C4'-P energy: -42.312 tors. eta vs tors. theta energy: -37.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -586.725300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.725300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.725300 (E_RNA) where: Base-Base interactions energy: -342.883 where: short stacking energy: -163.609 Base-Backbone interact. energy: 0.658 local terms energy: -244.499883 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -39.785 tors. eta vs tors. theta energy: -27.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -368.049750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.049750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.049750 (E_RNA) where: Base-Base interactions energy: -173.658 where: short stacking energy: -116.328 Base-Backbone interact. energy: 5.197 local terms energy: -199.588519 where: bonds (distance) C4'-P energy: -50.219 bonds (distance) P-C4' energy: -52.803 flat angles C4'-P-C4' energy: -47.159 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -12.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -329.439226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.439226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.439226 (E_RNA) where: Base-Base interactions energy: -123.491 where: short stacking energy: -96.226 Base-Backbone interact. energy: 0.449 local terms energy: -206.397285 where: bonds (distance) C4'-P energy: -65.456 bonds (distance) P-C4' energy: -57.705 flat angles C4'-P-C4' energy: -58.905 flat angles P-C4'-P energy: -24.897 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1123.091943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.091943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.091943 (E_RNA) where: Base-Base interactions energy: -758.091 where: short stacking energy: -329.637 Base-Backbone interact. energy: -0.756 local terms energy: -364.244548 where: bonds (distance) C4'-P energy: -66.527 bonds (distance) P-C4' energy: -71.110 flat angles C4'-P-C4' energy: -81.530 flat angles P-C4'-P energy: -53.191 tors. eta vs tors. theta energy: -91.888 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: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1103.960709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.960709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.960709 (E_RNA) where: Base-Base interactions energy: -756.017 where: short stacking energy: -323.412 Base-Backbone interact. energy: -1.749 local terms energy: -346.195021 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -64.601 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: -94.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1010.641994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.641994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.641994 (E_RNA) where: Base-Base interactions energy: -697.068 where: short stacking energy: -286.932 Base-Backbone interact. energy: 0.388 local terms energy: -313.961813 where: bonds (distance) C4'-P energy: -55.552 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -67.323 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -82.410 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: 403 Temperature: 1.050000 Total energy: -1011.746295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.746295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.746295 (E_RNA) where: Base-Base interactions energy: -708.677 where: short stacking energy: -278.788 Base-Backbone interact. energy: -0.811 local terms energy: -302.258321 where: bonds (distance) C4'-P energy: -55.760 bonds (distance) P-C4' energy: -57.218 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: -80.504 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: 6 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -917.986853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.986853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.986853 (E_RNA) where: Base-Base interactions energy: -615.447 where: short stacking energy: -282.329 Base-Backbone interact. energy: -1.730 local terms energy: -300.809530 where: bonds (distance) C4'-P energy: -61.278 bonds (distance) P-C4' energy: -58.154 flat angles C4'-P-C4' energy: -60.526 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -75.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -823.693085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.693085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.693085 (E_RNA) where: Base-Base interactions energy: -531.598 where: short stacking energy: -231.772 Base-Backbone interact. energy: -0.039 local terms energy: -292.055885 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -60.794 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -65.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -642.254603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.254603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.254603 (E_RNA) where: Base-Base interactions energy: -391.189 where: short stacking energy: -203.445 Base-Backbone interact. energy: -1.683 local terms energy: -249.382349 where: bonds (distance) C4'-P energy: -60.263 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -51.493 flat angles P-C4'-P energy: -31.178 tors. eta vs tors. theta energy: -48.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -589.559968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.559968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.559968 (E_RNA) where: Base-Base interactions energy: -369.167 where: short stacking energy: -174.826 Base-Backbone interact. energy: 2.703 local terms energy: -223.096051 where: bonds (distance) C4'-P energy: -57.044 bonds (distance) P-C4' energy: -52.397 flat angles C4'-P-C4' energy: -52.911 flat angles P-C4'-P energy: -33.106 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: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -354.797737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.797737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.797737 (E_RNA) where: Base-Base interactions energy: -164.261 where: short stacking energy: -103.466 Base-Backbone interact. energy: -1.574 local terms energy: -188.963387 where: bonds (distance) C4'-P energy: -50.181 bonds (distance) P-C4' energy: -56.352 flat angles C4'-P-C4' energy: -50.033 flat angles P-C4'-P energy: -32.052 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -286.380533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.380533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.380533 (E_RNA) where: Base-Base interactions energy: -111.259 where: short stacking energy: -91.816 Base-Backbone interact. energy: -0.766 local terms energy: -174.355876 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -52.805 flat angles C4'-P-C4' energy: -45.105 flat angles P-C4'-P energy: -28.562 tors. eta vs tors. theta energy: 5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1122.408073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.408073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.408073 (E_RNA) where: Base-Base interactions energy: -783.025 where: short stacking energy: -339.136 Base-Backbone interact. energy: -0.930 local terms energy: -338.453162 where: bonds (distance) C4'-P energy: -57.611 bonds (distance) P-C4' energy: -57.474 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -97.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1110.700561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.700561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.700561 (E_RNA) where: Base-Base interactions energy: -753.345 where: short stacking energy: -333.030 Base-Backbone interact. energy: -0.208 local terms energy: -357.147111 where: bonds (distance) C4'-P energy: -62.015 bonds (distance) P-C4' energy: -69.702 flat angles C4'-P-C4' energy: -77.688 flat angles P-C4'-P energy: -49.147 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: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1064.958305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.958305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.958305 (E_RNA) where: Base-Base interactions energy: -739.812 where: short stacking energy: -309.934 Base-Backbone interact. energy: 3.509 local terms energy: -328.655361 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -68.718 flat angles P-C4'-P energy: -49.593 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: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1001.912457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.912457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.912457 (E_RNA) where: Base-Base interactions energy: -702.665 where: short stacking energy: -306.797 Base-Backbone interact. energy: 0.932 local terms energy: -300.179019 where: bonds (distance) C4'-P energy: -48.440 bonds (distance) P-C4' energy: -63.938 flat angles C4'-P-C4' energy: -61.861 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -81.276 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: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -859.652295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.652295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.652295 (E_RNA) where: Base-Base interactions energy: -561.187 where: short stacking energy: -279.429 Base-Backbone interact. energy: -1.566 local terms energy: -296.899533 where: bonds (distance) C4'-P energy: -52.160 bonds (distance) P-C4' energy: -52.329 flat angles C4'-P-C4' energy: -66.270 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -77.425 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: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -851.724119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.724119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.724119 (E_RNA) where: Base-Base interactions energy: -584.949 where: short stacking energy: -247.390 Base-Backbone interact. energy: -1.401 local terms energy: -265.373540 where: bonds (distance) C4'-P energy: -51.378 bonds (distance) P-C4' energy: -56.587 flat angles C4'-P-C4' energy: -61.177 flat angles P-C4'-P energy: -26.938 tors. eta vs tors. theta energy: -69.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -595.156028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.156028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.156028 (E_RNA) where: Base-Base interactions energy: -347.692 where: short stacking energy: -170.441 Base-Backbone interact. energy: -0.648 local terms energy: -246.815564 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -48.816 flat angles C4'-P-C4' energy: -63.894 flat angles P-C4'-P energy: -40.047 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: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -631.000961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.000961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.000961 (E_RNA) where: Base-Base interactions energy: -373.705 where: short stacking energy: -189.480 Base-Backbone interact. energy: -1.344 local terms energy: -255.952945 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -51.511 flat angles C4'-P-C4' energy: -65.954 flat angles P-C4'-P energy: -25.836 tors. eta vs tors. theta energy: -49.454 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -392.796109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.796109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.796109 (E_RNA) where: Base-Base interactions energy: -189.446 where: short stacking energy: -134.350 Base-Backbone interact. energy: -0.171 local terms energy: -203.179401 where: bonds (distance) C4'-P energy: -52.175 bonds (distance) P-C4' energy: -57.510 flat angles C4'-P-C4' energy: -55.667 flat angles P-C4'-P energy: -27.353 tors. eta vs tors. theta energy: -10.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -274.954362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.954362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.954362 (E_RNA) where: Base-Base interactions energy: -91.786 where: short stacking energy: -81.940 Base-Backbone interact. energy: -0.501 local terms energy: -182.667619 where: bonds (distance) C4'-P energy: -47.113 bonds (distance) P-C4' energy: -52.777 flat angles C4'-P-C4' energy: -49.457 flat angles P-C4'-P energy: -32.407 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1110.726895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.726895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.726895 (E_RNA) where: Base-Base interactions energy: -771.842 where: short stacking energy: -320.458 Base-Backbone interact. energy: -1.328 local terms energy: -337.556955 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -65.032 flat angles C4'-P-C4' energy: -65.837 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: -91.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1112.365617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.365617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.365617 (E_RNA) where: Base-Base interactions energy: -751.261 where: short stacking energy: -317.330 Base-Backbone interact. energy: -1.341 local terms energy: -359.763724 where: bonds (distance) C4'-P energy: -62.728 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: -100.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1046.163081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.163081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.163081 (E_RNA) where: Base-Base interactions energy: -715.725 where: short stacking energy: -304.263 Base-Backbone interact. energy: -2.511 local terms energy: -327.927632 where: bonds (distance) C4'-P energy: -62.368 bonds (distance) P-C4' energy: -66.167 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -45.643 tors. eta vs tors. theta energy: -82.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -987.896326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.896326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.896326 (E_RNA) where: Base-Base interactions energy: -688.830 where: short stacking energy: -299.365 Base-Backbone interact. energy: -1.113 local terms energy: -297.953449 where: bonds (distance) C4'-P energy: -56.029 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -61.499 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -85.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -873.338130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.338130 (E_RNA) where: Base-Base interactions energy: -573.132 where: short stacking energy: -262.013 Base-Backbone interact. energy: -1.742 local terms energy: -298.464126 where: bonds (distance) C4'-P energy: -55.882 bonds (distance) P-C4' energy: -52.385 flat angles C4'-P-C4' energy: -63.261 flat angles P-C4'-P energy: -48.784 tors. eta vs tors. theta energy: -78.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -889.598904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.598904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.598904 (E_RNA) where: Base-Base interactions energy: -597.734 where: short stacking energy: -245.629 Base-Backbone interact. energy: 1.172 local terms energy: -293.036727 where: bonds (distance) C4'-P energy: -60.909 bonds (distance) P-C4' energy: -57.969 flat angles C4'-P-C4' energy: -63.975 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -64.933 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: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -659.569944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.569944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.569944 (E_RNA) where: Base-Base interactions energy: -387.735 where: short stacking energy: -184.947 Base-Backbone interact. energy: -0.590 local terms energy: -271.244531 where: bonds (distance) C4'-P energy: -64.444 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -58.098 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -49.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -627.648227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.648227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.648227 (E_RNA) where: Base-Base interactions energy: -380.326 where: short stacking energy: -184.935 Base-Backbone interact. energy: -1.777 local terms energy: -245.545350 where: bonds (distance) C4'-P energy: -44.144 bonds (distance) P-C4' energy: -55.977 flat angles C4'-P-C4' energy: -59.255 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -45.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -341.748875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.748875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.748875 (E_RNA) where: Base-Base interactions energy: -129.936 where: short stacking energy: -80.661 Base-Backbone interact. energy: -0.756 local terms energy: -211.056096 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -63.027 flat angles C4'-P-C4' energy: -50.501 flat angles P-C4'-P energy: -41.611 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -267.214177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.214177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.214177 (E_RNA) where: Base-Base interactions energy: -75.425 where: short stacking energy: -72.567 Base-Backbone interact. energy: -1.337 local terms energy: -190.452859 where: bonds (distance) C4'-P energy: -49.416 bonds (distance) P-C4' energy: -68.255 flat angles C4'-P-C4' energy: -47.699 flat angles P-C4'-P energy: -26.717 tors. eta vs tors. theta energy: 1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1131.723480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.723480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.723480 (E_RNA) where: Base-Base interactions energy: -782.979 where: short stacking energy: -347.239 Base-Backbone interact. energy: -0.293 local terms energy: -348.451316 where: bonds (distance) C4'-P energy: -58.825 bonds (distance) P-C4' energy: -65.731 flat angles C4'-P-C4' energy: -75.639 flat angles P-C4'-P energy: -47.529 tors. eta vs tors. theta energy: -100.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1075.352252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.352252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.352252 (E_RNA) where: Base-Base interactions energy: -752.269 where: short stacking energy: -303.877 Base-Backbone interact. energy: 0.365 local terms energy: -323.448107 where: bonds (distance) C4'-P energy: -52.745 bonds (distance) P-C4' energy: -69.450 flat angles C4'-P-C4' energy: -66.882 flat angles P-C4'-P energy: -46.393 tors. eta vs tors. theta energy: -87.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1032.065772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.065772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.065772 (E_RNA) where: Base-Base interactions energy: -696.014 where: short stacking energy: -293.480 Base-Backbone interact. energy: -1.131 local terms energy: -334.920489 where: bonds (distance) C4'-P energy: -68.271 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -69.015 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -88.937 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: 406 Temperature: 1.050000 Total energy: -992.064837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.064837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.064837 (E_RNA) where: Base-Base interactions energy: -674.067 where: short stacking energy: -293.457 Base-Backbone interact. energy: -0.550 local terms energy: -317.448065 where: bonds (distance) C4'-P energy: -65.826 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -73.029 flat angles P-C4'-P energy: -44.386 tors. eta vs tors. theta energy: -84.211 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: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -838.086983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.086983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.086983 (E_RNA) where: Base-Base interactions energy: -537.050 where: short stacking energy: -241.232 Base-Backbone interact. energy: -1.955 local terms energy: -299.082115 where: bonds (distance) C4'-P energy: -58.662 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -63.601 flat angles P-C4'-P energy: -40.352 tors. eta vs tors. theta energy: -68.072 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: 406 Temperature: 1.150000 Total energy: -822.967704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.967704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.967704 (E_RNA) where: Base-Base interactions energy: -564.100 where: short stacking energy: -237.372 Base-Backbone interact. energy: 1.506 local terms energy: -260.373564 where: bonds (distance) C4'-P energy: -53.347 bonds (distance) P-C4' energy: -55.047 flat angles C4'-P-C4' energy: -56.413 flat angles P-C4'-P energy: -33.813 tors. eta vs tors. theta energy: -61.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -630.958169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.958169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.958169 (E_RNA) where: Base-Base interactions energy: -378.085 where: short stacking energy: -190.899 Base-Backbone interact. energy: -1.177 local terms energy: -251.696114 where: bonds (distance) C4'-P energy: -59.177 bonds (distance) P-C4' energy: -50.736 flat angles C4'-P-C4' energy: -61.648 flat angles P-C4'-P energy: -37.074 tors. eta vs tors. theta energy: -43.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -614.534341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.534341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.534341 (E_RNA) where: Base-Base interactions energy: -374.804 where: short stacking energy: -198.550 Base-Backbone interact. energy: -1.313 local terms energy: -238.416829 where: bonds (distance) C4'-P energy: -51.102 bonds (distance) P-C4' energy: -53.564 flat angles C4'-P-C4' energy: -58.951 flat angles P-C4'-P energy: -30.882 tors. eta vs tors. theta energy: -43.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -352.538014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.538014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.538014 (E_RNA) where: Base-Base interactions energy: -161.161 where: short stacking energy: -103.042 Base-Backbone interact. energy: 0.007 local terms energy: -191.384376 where: bonds (distance) C4'-P energy: -48.857 bonds (distance) P-C4' energy: -49.588 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -27.563 tors. eta vs tors. theta energy: -4.951 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: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -268.380545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.380545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.380545 (E_RNA) where: Base-Base interactions energy: -100.200 where: short stacking energy: -84.735 Base-Backbone interact. energy: 3.387 local terms energy: -171.567121 where: bonds (distance) C4'-P energy: -51.729 bonds (distance) P-C4' energy: -54.273 flat angles C4'-P-C4' energy: -39.896 flat angles P-C4'-P energy: -27.304 tors. eta vs tors. theta energy: 1.635 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: 407 Temperature: 0.900000 Total energy: -1129.867451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.867451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.867451 (E_RNA) where: Base-Base interactions energy: -771.574 where: short stacking energy: -320.306 Base-Backbone interact. energy: -1.570 local terms energy: -356.724095 where: bonds (distance) C4'-P energy: -65.112 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -72.681 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -101.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1091.365086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.365086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.365086 (E_RNA) where: Base-Base interactions energy: -764.405 where: short stacking energy: -325.494 Base-Backbone interact. energy: -0.785 local terms energy: -326.175077 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -67.625 flat angles C4'-P-C4' energy: -64.825 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -88.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1010.204508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.204508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.204508 (E_RNA) where: Base-Base interactions energy: -694.478 where: short stacking energy: -277.733 Base-Backbone interact. energy: -3.426 local terms energy: -312.300422 where: bonds (distance) C4'-P energy: -58.442 bonds (distance) P-C4' energy: -68.907 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -47.709 tors. eta vs tors. theta energy: -71.410 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: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1006.375279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.375279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.375279 (E_RNA) where: Base-Base interactions energy: -682.059 where: short stacking energy: -275.845 Base-Backbone interact. energy: -0.337 local terms energy: -323.979640 where: bonds (distance) C4'-P energy: -63.959 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -68.387 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -89.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -857.560191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.560191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.560191 (E_RNA) where: Base-Base interactions energy: -574.047 where: short stacking energy: -241.860 Base-Backbone interact. energy: -1.357 local terms energy: -282.155782 where: bonds (distance) C4'-P energy: -49.901 bonds (distance) P-C4' energy: -54.372 flat angles C4'-P-C4' energy: -61.248 flat angles P-C4'-P energy: -51.495 tors. eta vs tors. theta energy: -65.140 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: 407 Temperature: 1.150000 Total energy: -821.600606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.600606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.600606 (E_RNA) where: Base-Base interactions energy: -530.601 where: short stacking energy: -244.099 Base-Backbone interact. energy: -1.813 local terms energy: -289.187257 where: bonds (distance) C4'-P energy: -61.268 bonds (distance) P-C4' energy: -59.721 flat angles C4'-P-C4' energy: -62.856 flat angles P-C4'-P energy: -37.233 tors. eta vs tors. theta energy: -68.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -678.139762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.139762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.139762 (E_RNA) where: Base-Base interactions energy: -407.650 where: short stacking energy: -197.000 Base-Backbone interact. energy: -1.238 local terms energy: -269.252230 where: bonds (distance) C4'-P energy: -60.964 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -40.912 tors. eta vs tors. theta energy: -38.366 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: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -605.651366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.651366 (E_RNA) where: Base-Base interactions energy: -373.748 where: short stacking energy: -201.683 Base-Backbone interact. energy: 3.209 local terms energy: -235.112723 where: bonds (distance) C4'-P energy: -43.865 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -57.832 flat angles P-C4'-P energy: -38.864 tors. eta vs tors. theta energy: -37.151 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: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -339.595988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.595988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.595988 (E_RNA) where: Base-Base interactions energy: -159.131 where: short stacking energy: -106.285 Base-Backbone interact. energy: -1.659 local terms energy: -178.805469 where: bonds (distance) C4'-P energy: -54.271 bonds (distance) P-C4' energy: -52.448 flat angles C4'-P-C4' energy: -52.652 flat angles P-C4'-P energy: -16.848 tors. eta vs tors. theta energy: -2.587 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: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -264.055268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.055268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.055268 (E_RNA) where: Base-Base interactions energy: -93.668 where: short stacking energy: -67.153 Base-Backbone interact. energy: 2.142 local terms energy: -172.528495 where: bonds (distance) C4'-P energy: -58.936 bonds (distance) P-C4' energy: -58.120 flat angles C4'-P-C4' energy: -39.897 flat angles P-C4'-P energy: -27.411 tors. eta vs tors. theta energy: 11.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1138.905909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.905909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.905909 (E_RNA) where: Base-Base interactions energy: -785.886 where: short stacking energy: -328.819 Base-Backbone interact. energy: 3.957 local terms energy: -356.976971 where: bonds (distance) C4'-P energy: -65.352 bonds (distance) P-C4' energy: -71.899 flat angles C4'-P-C4' energy: -78.133 flat angles P-C4'-P energy: -49.963 tors. eta vs tors. theta energy: -91.630 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: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1107.423991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.423991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.423991 (E_RNA) where: Base-Base interactions energy: -774.718 where: short stacking energy: -332.793 Base-Backbone interact. energy: -1.136 local terms energy: -331.570112 where: bonds (distance) C4'-P energy: -50.447 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -75.293 flat angles P-C4'-P energy: -49.993 tors. eta vs tors. theta energy: -97.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1002.619962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.619962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.619962 (E_RNA) where: Base-Base interactions energy: -676.081 where: short stacking energy: -286.539 Base-Backbone interact. energy: 0.179 local terms energy: -326.718309 where: bonds (distance) C4'-P energy: -58.349 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -72.326 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -80.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1011.210803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.210803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.210803 (E_RNA) where: Base-Base interactions energy: -685.524 where: short stacking energy: -285.136 Base-Backbone interact. energy: -3.577 local terms energy: -322.110015 where: bonds (distance) C4'-P energy: -69.569 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -85.836 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: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -834.609623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.609623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.609623 (E_RNA) where: Base-Base interactions energy: -549.640 where: short stacking energy: -250.637 Base-Backbone interact. energy: -0.848 local terms energy: -284.121800 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -51.619 flat angles C4'-P-C4' energy: -68.069 flat angles P-C4'-P energy: -42.950 tors. eta vs tors. theta energy: -65.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -833.120231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.120231 (E_RNA) where: Base-Base interactions energy: -549.422 where: short stacking energy: -237.784 Base-Backbone interact. energy: -2.134 local terms energy: -281.564646 where: bonds (distance) C4'-P energy: -47.614 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -64.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -681.743649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.743649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.743649 (E_RNA) where: Base-Base interactions energy: -445.337 where: short stacking energy: -186.935 Base-Backbone interact. energy: 2.048 local terms energy: -238.455039 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -57.461 flat angles C4'-P-C4' energy: -55.333 flat angles P-C4'-P energy: -38.294 tors. eta vs tors. theta energy: -30.469 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: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -624.409890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.409890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.409890 (E_RNA) where: Base-Base interactions energy: -384.028 where: short stacking energy: -184.110 Base-Backbone interact. energy: 2.139 local terms energy: -242.520737 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -63.688 flat angles C4'-P-C4' energy: -52.233 flat angles P-C4'-P energy: -34.969 tors. eta vs tors. theta energy: -35.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -381.492692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.492692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.492692 (E_RNA) where: Base-Base interactions energy: -181.132 where: short stacking energy: -117.370 Base-Backbone interact. energy: -2.111 local terms energy: -198.249833 where: bonds (distance) C4'-P energy: -52.134 bonds (distance) P-C4' energy: -59.872 flat angles C4'-P-C4' energy: -47.544 flat angles P-C4'-P energy: -36.935 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -264.569450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.569450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.569450 (E_RNA) where: Base-Base interactions energy: -89.421 where: short stacking energy: -85.226 Base-Backbone interact. energy: -0.054 local terms energy: -175.094522 where: bonds (distance) C4'-P energy: -47.634 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -38.622 flat angles P-C4'-P energy: -28.057 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1109.184249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.184249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.184249 (E_RNA) where: Base-Base interactions energy: -752.509 where: short stacking energy: -328.330 Base-Backbone interact. energy: -0.615 local terms energy: -356.060398 where: bonds (distance) C4'-P energy: -59.598 bonds (distance) P-C4' energy: -72.612 flat angles C4'-P-C4' energy: -75.182 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -95.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1097.215827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.215827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.215827 (E_RNA) where: Base-Base interactions energy: -749.839 where: short stacking energy: -319.239 Base-Backbone interact. energy: -2.470 local terms energy: -344.907204 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -58.136 flat angles C4'-P-C4' energy: -67.442 flat angles P-C4'-P energy: -58.356 tors. eta vs tors. theta energy: -97.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1065.711685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.711685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.711685 (E_RNA) where: Base-Base interactions energy: -703.160 where: short stacking energy: -322.749 Base-Backbone interact. energy: 0.381 local terms energy: -362.932543 where: bonds (distance) C4'-P energy: -73.806 bonds (distance) P-C4' energy: -63.749 flat angles C4'-P-C4' energy: -71.774 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -98.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1003.526297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.526297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.526297 (E_RNA) where: Base-Base interactions energy: -694.426 where: short stacking energy: -282.230 Base-Backbone interact. energy: -1.712 local terms energy: -307.388233 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -66.883 flat angles C4'-P-C4' energy: -66.110 flat angles P-C4'-P energy: -28.482 tors. eta vs tors. theta energy: -87.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -853.882392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.882392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.882392 (E_RNA) where: Base-Base interactions energy: -553.773 where: short stacking energy: -245.698 Base-Backbone interact. energy: -0.376 local terms energy: -299.733596 where: bonds (distance) C4'-P energy: -62.954 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -68.317 flat angles P-C4'-P energy: -42.167 tors. eta vs tors. theta energy: -62.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -807.193853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.193853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.193853 (E_RNA) where: Base-Base interactions energy: -518.974 where: short stacking energy: -235.577 Base-Backbone interact. energy: 2.369 local terms energy: -290.588518 where: bonds (distance) C4'-P energy: -55.866 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -63.395 flat angles P-C4'-P energy: -42.038 tors. eta vs tors. theta energy: -63.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -701.852634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.852634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.852634 (E_RNA) where: Base-Base interactions energy: -444.716 where: short stacking energy: -211.417 Base-Backbone interact. energy: -2.965 local terms energy: -254.171553 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -57.047 flat angles C4'-P-C4' energy: -57.725 flat angles P-C4'-P energy: -44.541 tors. eta vs tors. theta energy: -37.726 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: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -660.044976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.044976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.044976 (E_RNA) where: Base-Base interactions energy: -428.164 where: short stacking energy: -193.516 Base-Backbone interact. energy: 0.884 local terms energy: -232.764707 where: bonds (distance) C4'-P energy: -51.630 bonds (distance) P-C4' energy: -52.646 flat angles C4'-P-C4' energy: -49.816 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -43.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -360.898628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.898628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.898628 (E_RNA) where: Base-Base interactions energy: -163.510 where: short stacking energy: -116.159 Base-Backbone interact. energy: -0.474 local terms energy: -196.914562 where: bonds (distance) C4'-P energy: -47.129 bonds (distance) P-C4' energy: -63.429 flat angles C4'-P-C4' energy: -53.426 flat angles P-C4'-P energy: -27.571 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -300.338253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -300.338253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -300.338253 (E_RNA) where: Base-Base interactions energy: -106.650 where: short stacking energy: -82.167 Base-Backbone interact. energy: -1.074 local terms energy: -192.613697 where: bonds (distance) C4'-P energy: -47.979 bonds (distance) P-C4' energy: -61.908 flat angles C4'-P-C4' energy: -40.674 flat angles P-C4'-P energy: -32.091 tors. eta vs tors. theta energy: -9.962 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: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1120.444050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.444050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.444050 (E_RNA) where: Base-Base interactions energy: -767.783 where: short stacking energy: -323.277 Base-Backbone interact. energy: 0.211 local terms energy: -352.871635 where: bonds (distance) C4'-P energy: -58.622 bonds (distance) P-C4' energy: -72.623 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -53.654 tors. eta vs tors. theta energy: -91.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1107.552384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.552384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.552384 (E_RNA) where: Base-Base interactions energy: -774.504 where: short stacking energy: -322.245 Base-Backbone interact. energy: -1.086 local terms energy: -331.962103 where: bonds (distance) C4'-P energy: -63.525 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -69.326 flat angles P-C4'-P energy: -40.350 tors. eta vs tors. theta energy: -97.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1035.392916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.392916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.392916 (E_RNA) where: Base-Base interactions energy: -707.919 where: short stacking energy: -314.898 Base-Backbone interact. energy: -0.318 local terms energy: -327.155849 where: bonds (distance) C4'-P energy: -63.005 bonds (distance) P-C4' energy: -57.910 flat angles C4'-P-C4' energy: -65.979 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -89.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -995.776356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.776356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.776356 (E_RNA) where: Base-Base interactions energy: -675.798 where: short stacking energy: -275.763 Base-Backbone interact. energy: 4.220 local terms energy: -324.198606 where: bonds (distance) C4'-P energy: -51.958 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -50.260 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: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -920.976155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.976155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.976155 (E_RNA) where: Base-Base interactions energy: -610.050 where: short stacking energy: -290.851 Base-Backbone interact. energy: 2.602 local terms energy: -313.528093 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -63.761 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -36.569 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: 6, replica: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -804.809142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.809142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.809142 (E_RNA) where: Base-Base interactions energy: -519.398 where: short stacking energy: -242.817 Base-Backbone interact. energy: -1.796 local terms energy: -283.614434 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -47.874 flat angles C4'-P-C4' energy: -67.362 flat angles P-C4'-P energy: -44.403 tors. eta vs tors. theta energy: -67.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -699.519859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.519859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.519859 (E_RNA) where: Base-Base interactions energy: -440.835 where: short stacking energy: -221.534 Base-Backbone interact. energy: -1.456 local terms energy: -257.228225 where: bonds (distance) C4'-P energy: -36.950 bonds (distance) P-C4' energy: -42.522 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -65.833 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: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -615.030687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.030687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.030687 (E_RNA) where: Base-Base interactions energy: -401.859 where: short stacking energy: -168.791 Base-Backbone interact. energy: -2.484 local terms energy: -210.687679 where: bonds (distance) C4'-P energy: -43.282 bonds (distance) P-C4' energy: -58.566 flat angles C4'-P-C4' energy: -51.598 flat angles P-C4'-P energy: -29.694 tors. eta vs tors. theta energy: -27.547 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: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -375.863244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.863244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.863244 (E_RNA) where: Base-Base interactions energy: -211.730 where: short stacking energy: -121.320 Base-Backbone interact. energy: 0.542 local terms energy: -164.674587 where: bonds (distance) C4'-P energy: -49.820 bonds (distance) P-C4' energy: -49.739 flat angles C4'-P-C4' energy: -37.881 flat angles P-C4'-P energy: -21.864 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -276.319309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.319309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.319309 (E_RNA) where: Base-Base interactions energy: -94.592 where: short stacking energy: -88.635 Base-Backbone interact. energy: 0.478 local terms energy: -182.205309 where: bonds (distance) C4'-P energy: -52.159 bonds (distance) P-C4' energy: -61.290 flat angles C4'-P-C4' energy: -51.297 flat angles P-C4'-P energy: -23.033 tors. eta vs tors. theta energy: 5.575 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: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1149.872744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.872744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.872744 (E_RNA) where: Base-Base interactions energy: -784.714 where: short stacking energy: -351.059 Base-Backbone interact. energy: -0.096 local terms energy: -365.063108 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -71.017 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: -106.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1084.133096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.133096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.133096 (E_RNA) where: Base-Base interactions energy: -751.336 where: short stacking energy: -321.613 Base-Backbone interact. energy: -0.064 local terms energy: -332.733821 where: bonds (distance) C4'-P energy: -54.203 bonds (distance) P-C4' energy: -66.903 flat angles C4'-P-C4' energy: -64.385 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -94.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1058.592541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.592541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.592541 (E_RNA) where: Base-Base interactions energy: -713.389 where: short stacking energy: -313.441 Base-Backbone interact. energy: -0.769 local terms energy: -344.434860 where: bonds (distance) C4'-P energy: -64.035 bonds (distance) P-C4' energy: -63.915 flat angles C4'-P-C4' energy: -72.600 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -98.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -935.934937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.934937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.934937 (E_RNA) where: Base-Base interactions energy: -624.884 where: short stacking energy: -297.659 Base-Backbone interact. energy: 0.435 local terms energy: -311.485802 where: bonds (distance) C4'-P energy: -53.877 bonds (distance) P-C4' energy: -52.798 flat angles C4'-P-C4' energy: -69.581 flat angles P-C4'-P energy: -45.943 tors. eta vs tors. theta energy: -89.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -979.748763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.748763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.748763 (E_RNA) where: Base-Base interactions energy: -677.948 where: short stacking energy: -296.602 Base-Backbone interact. energy: 3.975 local terms energy: -305.776459 where: bonds (distance) C4'-P energy: -57.383 bonds (distance) P-C4' energy: -57.462 flat angles C4'-P-C4' energy: -64.473 flat angles P-C4'-P energy: -42.062 tors. eta vs tors. theta energy: -84.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -806.207723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.207723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.207723 (E_RNA) where: Base-Base interactions energy: -538.124 where: short stacking energy: -227.358 Base-Backbone interact. energy: 3.397 local terms energy: -271.479887 where: bonds (distance) C4'-P energy: -53.008 bonds (distance) P-C4' energy: -58.966 flat angles C4'-P-C4' energy: -59.756 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: -63.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -710.032961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.032961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.032961 (E_RNA) where: Base-Base interactions energy: -438.636 where: short stacking energy: -210.546 Base-Backbone interact. energy: -0.685 local terms energy: -270.712685 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -59.447 flat angles C4'-P-C4' energy: -65.655 flat angles P-C4'-P energy: -30.192 tors. eta vs tors. theta energy: -53.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -606.985191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.985191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.985191 (E_RNA) where: Base-Base interactions energy: -365.592 where: short stacking energy: -173.577 Base-Backbone interact. energy: -0.560 local terms energy: -240.834070 where: bonds (distance) C4'-P energy: -56.109 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -53.496 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -27.859 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: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -370.326142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.326142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.326142 (E_RNA) where: Base-Base interactions energy: -178.989 where: short stacking energy: -100.776 Base-Backbone interact. energy: 0.661 local terms energy: -191.997639 where: bonds (distance) C4'-P energy: -47.720 bonds (distance) P-C4' energy: -66.059 flat angles C4'-P-C4' energy: -47.785 flat angles P-C4'-P energy: -27.989 tors. eta vs tors. theta energy: -2.445 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: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -288.331358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.331358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.331358 (E_RNA) where: Base-Base interactions energy: -107.908 where: short stacking energy: -94.114 Base-Backbone interact. energy: -0.950 local terms energy: -179.472994 where: bonds (distance) C4'-P energy: -51.288 bonds (distance) P-C4' energy: -50.604 flat angles C4'-P-C4' energy: -49.930 flat angles P-C4'-P energy: -29.554 tors. eta vs tors. theta energy: 1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1144.343174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.343174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.343174 (E_RNA) where: Base-Base interactions energy: -776.404 where: short stacking energy: -328.525 Base-Backbone interact. energy: -0.517 local terms energy: -367.421877 where: bonds (distance) C4'-P energy: -59.866 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -82.826 flat angles P-C4'-P energy: -53.458 tors. eta vs tors. theta energy: -104.031 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: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1084.476386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.476386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.476386 (E_RNA) where: Base-Base interactions energy: -732.021 where: short stacking energy: -319.460 Base-Backbone interact. energy: -0.908 local terms energy: -351.547941 where: bonds (distance) C4'-P energy: -57.860 bonds (distance) P-C4' energy: -75.280 flat angles C4'-P-C4' energy: -70.622 flat angles P-C4'-P energy: -51.720 tors. eta vs tors. theta energy: -96.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1034.485377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.485377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.485377 (E_RNA) where: Base-Base interactions energy: -708.579 where: short stacking energy: -316.511 Base-Backbone interact. energy: -1.232 local terms energy: -324.674302 where: bonds (distance) C4'-P energy: -58.815 bonds (distance) P-C4' energy: -66.481 flat angles C4'-P-C4' energy: -69.552 flat angles P-C4'-P energy: -47.359 tors. eta vs tors. theta energy: -82.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -941.419732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.419732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.419732 (E_RNA) where: Base-Base interactions energy: -634.095 where: short stacking energy: -273.377 Base-Backbone interact. energy: -0.165 local terms energy: -307.159377 where: bonds (distance) C4'-P energy: -54.488 bonds (distance) P-C4' energy: -62.233 flat angles C4'-P-C4' energy: -70.418 flat angles P-C4'-P energy: -38.538 tors. eta vs tors. theta energy: -81.483 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: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -955.416314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.416314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.416314 (E_RNA) where: Base-Base interactions energy: -635.867 where: short stacking energy: -259.545 Base-Backbone interact. energy: -2.667 local terms energy: -316.881883 where: bonds (distance) C4'-P energy: -59.977 bonds (distance) P-C4' energy: -59.946 flat angles C4'-P-C4' energy: -75.172 flat angles P-C4'-P energy: -42.893 tors. eta vs tors. theta energy: -78.894 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: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -775.275120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.275120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.275120 (E_RNA) where: Base-Base interactions energy: -511.595 where: short stacking energy: -229.422 Base-Backbone interact. energy: -0.133 local terms energy: -263.547278 where: bonds (distance) C4'-P energy: -56.553 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -58.603 flat angles P-C4'-P energy: -46.388 tors. eta vs tors. theta energy: -45.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -677.918393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.918393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.918393 (E_RNA) where: Base-Base interactions energy: -404.376 where: short stacking energy: -198.654 Base-Backbone interact. energy: 1.177 local terms energy: -274.719743 where: bonds (distance) C4'-P energy: -60.576 bonds (distance) P-C4' energy: -52.069 flat angles C4'-P-C4' energy: -69.046 flat angles P-C4'-P energy: -46.543 tors. eta vs tors. theta energy: -46.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -574.876595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.876595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.876595 (E_RNA) where: Base-Base interactions energy: -352.923 where: short stacking energy: -149.216 Base-Backbone interact. energy: 2.587 local terms energy: -224.540522 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -57.114 flat angles C4'-P-C4' energy: -48.644 flat angles P-C4'-P energy: -42.099 tors. eta vs tors. theta energy: -22.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -364.371941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.371941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.371941 (E_RNA) where: Base-Base interactions energy: -149.320 where: short stacking energy: -94.916 Base-Backbone interact. energy: 0.523 local terms energy: -215.575217 where: bonds (distance) C4'-P energy: -65.159 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -49.813 flat angles P-C4'-P energy: -42.298 tors. eta vs tors. theta energy: 0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -265.950255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.950255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.950255 (E_RNA) where: Base-Base interactions energy: -85.009 where: short stacking energy: -62.111 Base-Backbone interact. energy: 1.916 local terms energy: -182.856746 where: bonds (distance) C4'-P energy: -54.436 bonds (distance) P-C4' energy: -50.847 flat angles C4'-P-C4' energy: -51.406 flat angles P-C4'-P energy: -32.380 tors. eta vs tors. theta energy: 6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1135.036014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.036014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.036014 (E_RNA) where: Base-Base interactions energy: -780.561 where: short stacking energy: -344.547 Base-Backbone interact. energy: -2.044 local terms energy: -352.431126 where: bonds (distance) C4'-P energy: -59.863 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -75.741 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -103.805 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: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1097.694139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.694139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.694139 (E_RNA) where: Base-Base interactions energy: -749.057 where: short stacking energy: -307.857 Base-Backbone interact. energy: 0.174 local terms energy: -348.811278 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: -92.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1036.750713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.750713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.750713 (E_RNA) where: Base-Base interactions energy: -713.866 where: short stacking energy: -312.931 Base-Backbone interact. energy: 0.784 local terms energy: -323.668994 where: bonds (distance) C4'-P energy: -59.885 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -63.864 flat angles P-C4'-P energy: -47.906 tors. eta vs tors. theta energy: -93.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1003.269292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.269292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.269292 (E_RNA) where: Base-Base interactions energy: -686.412 where: short stacking energy: -278.553 Base-Backbone interact. energy: -0.480 local terms energy: -316.377194 where: bonds (distance) C4'-P energy: -57.657 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -73.022 flat angles P-C4'-P energy: -48.906 tors. eta vs tors. theta energy: -79.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -915.647541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.647541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.647541 (E_RNA) where: Base-Base interactions energy: -627.965 where: short stacking energy: -271.215 Base-Backbone interact. energy: -0.188 local terms energy: -287.493756 where: bonds (distance) C4'-P energy: -51.204 bonds (distance) P-C4' energy: -58.611 flat angles C4'-P-C4' energy: -54.290 flat angles P-C4'-P energy: -42.421 tors. eta vs tors. theta energy: -80.967 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: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -739.178548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.178548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.178548 (E_RNA) where: Base-Base interactions energy: -480.445 where: short stacking energy: -208.833 Base-Backbone interact. energy: -0.598 local terms energy: -258.135591 where: bonds (distance) C4'-P energy: -63.392 bonds (distance) P-C4' energy: -56.316 flat angles C4'-P-C4' energy: -55.214 flat angles P-C4'-P energy: -34.482 tors. eta vs tors. theta energy: -48.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -678.899055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.899055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.899055 (E_RNA) where: Base-Base interactions energy: -417.182 where: short stacking energy: -214.800 Base-Backbone interact. energy: -0.938 local terms energy: -260.779233 where: bonds (distance) C4'-P energy: -60.548 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -54.300 flat angles P-C4'-P energy: -36.658 tors. eta vs tors. theta energy: -50.648 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: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -580.854044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.854044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.854044 (E_RNA) where: Base-Base interactions energy: -363.239 where: short stacking energy: -158.361 Base-Backbone interact. energy: 0.470 local terms energy: -218.084742 where: bonds (distance) C4'-P energy: -39.511 bonds (distance) P-C4' energy: -68.370 flat angles C4'-P-C4' energy: -58.488 flat angles P-C4'-P energy: -24.229 tors. eta vs tors. theta energy: -27.488 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: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -364.579471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.579471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.579471 (E_RNA) where: Base-Base interactions energy: -156.988 where: short stacking energy: -87.558 Base-Backbone interact. energy: -1.099 local terms energy: -206.493047 where: bonds (distance) C4'-P energy: -62.745 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -53.032 flat angles P-C4'-P energy: -27.947 tors. eta vs tors. theta energy: 1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -274.215166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.215166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.215166 (E_RNA) where: Base-Base interactions energy: -99.300 where: short stacking energy: -77.269 Base-Backbone interact. energy: 1.066 local terms energy: -175.981031 where: bonds (distance) C4'-P energy: -55.287 bonds (distance) P-C4' energy: -57.353 flat angles C4'-P-C4' energy: -45.079 flat angles P-C4'-P energy: -34.896 tors. eta vs tors. theta energy: 16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1132.748984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.748984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.748984 (E_RNA) where: Base-Base interactions energy: -781.830 where: short stacking energy: -336.428 Base-Backbone interact. energy: -2.269 local terms energy: -348.649563 where: bonds (distance) C4'-P energy: -62.217 bonds (distance) P-C4' energy: -55.547 flat angles C4'-P-C4' energy: -74.795 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: -105.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1083.687148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.687148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.687148 (E_RNA) where: Base-Base interactions energy: -756.930 where: short stacking energy: -327.401 Base-Backbone interact. energy: -1.304 local terms energy: -325.453571 where: bonds (distance) C4'-P energy: -68.010 bonds (distance) P-C4' energy: -58.481 flat angles C4'-P-C4' energy: -62.442 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -93.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1004.607027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.607027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.607027 (E_RNA) where: Base-Base interactions energy: -681.239 where: short stacking energy: -306.563 Base-Backbone interact. energy: 0.302 local terms energy: -323.670165 where: bonds (distance) C4'-P energy: -61.503 bonds (distance) P-C4' energy: -66.919 flat angles C4'-P-C4' energy: -69.358 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -87.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1001.003948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.003948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.003948 (E_RNA) where: Base-Base interactions energy: -684.743 where: short stacking energy: -287.997 Base-Backbone interact. energy: -1.844 local terms energy: -314.416857 where: bonds (distance) C4'-P energy: -54.670 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -41.676 tors. eta vs tors. theta energy: -78.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -952.733830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.733830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.733830 (E_RNA) where: Base-Base interactions energy: -642.012 where: short stacking energy: -267.914 Base-Backbone interact. energy: 0.332 local terms energy: -311.054040 where: bonds (distance) C4'-P energy: -59.717 bonds (distance) P-C4' energy: -60.099 flat angles C4'-P-C4' energy: -68.189 flat angles P-C4'-P energy: -36.736 tors. eta vs tors. theta energy: -86.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -785.925054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.925054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.925054 (E_RNA) where: Base-Base interactions energy: -518.138 where: short stacking energy: -223.820 Base-Backbone interact. energy: -1.274 local terms energy: -266.513493 where: bonds (distance) C4'-P energy: -51.845 bonds (distance) P-C4' energy: -64.978 flat angles C4'-P-C4' energy: -60.391 flat angles P-C4'-P energy: -33.025 tors. eta vs tors. theta energy: -56.274 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: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -690.680953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.680953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.680953 (E_RNA) where: Base-Base interactions energy: -448.710 where: short stacking energy: -227.544 Base-Backbone interact. energy: -0.697 local terms energy: -241.273676 where: bonds (distance) C4'-P energy: -51.778 bonds (distance) P-C4' energy: -46.672 flat angles C4'-P-C4' energy: -57.584 flat angles P-C4'-P energy: -30.999 tors. eta vs tors. theta energy: -54.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -552.211330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.211330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.211330 (E_RNA) where: Base-Base interactions energy: -343.254 where: short stacking energy: -160.862 Base-Backbone interact. energy: 4.081 local terms energy: -213.037740 where: bonds (distance) C4'-P energy: -55.898 bonds (distance) P-C4' energy: -57.687 flat angles C4'-P-C4' energy: -51.160 flat angles P-C4'-P energy: -21.807 tors. eta vs tors. theta energy: -26.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -366.251905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.251905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.251905 (E_RNA) where: Base-Base interactions energy: -168.152 where: short stacking energy: -103.831 Base-Backbone interact. energy: 0.906 local terms energy: -199.006784 where: bonds (distance) C4'-P energy: -51.286 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -47.838 flat angles P-C4'-P energy: -40.966 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: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -275.047193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.047193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.047193 (E_RNA) where: Base-Base interactions energy: -115.293 where: short stacking energy: -85.887 Base-Backbone interact. energy: -1.306 local terms energy: -158.448441 where: bonds (distance) C4'-P energy: -55.003 bonds (distance) P-C4' energy: -55.258 flat angles C4'-P-C4' energy: -39.738 flat angles P-C4'-P energy: -24.250 tors. eta vs tors. theta energy: 15.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1127.155554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.155554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.155554 (E_RNA) where: Base-Base interactions energy: -773.836 where: short stacking energy: -345.610 Base-Backbone interact. energy: -2.098 local terms energy: -351.221657 where: bonds (distance) C4'-P energy: -57.835 bonds (distance) P-C4' energy: -57.638 flat angles C4'-P-C4' energy: -75.704 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -106.656 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: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1103.193299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.193299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.193299 (E_RNA) where: Base-Base interactions energy: -758.040 where: short stacking energy: -317.225 Base-Backbone interact. energy: -0.681 local terms energy: -344.472601 where: bonds (distance) C4'-P energy: -74.357 bonds (distance) P-C4' energy: -64.191 flat angles C4'-P-C4' energy: -71.978 flat angles P-C4'-P energy: -39.171 tors. eta vs tors. theta energy: -94.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1022.851728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.851728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.851728 (E_RNA) where: Base-Base interactions energy: -674.027 where: short stacking energy: -294.722 Base-Backbone interact. energy: 0.141 local terms energy: -348.965583 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -64.214 flat angles C4'-P-C4' energy: -73.951 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -86.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -962.845023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.845023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.845023 (E_RNA) where: Base-Base interactions energy: -648.917 where: short stacking energy: -284.617 Base-Backbone interact. energy: 2.673 local terms energy: -316.601631 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -67.865 flat angles P-C4'-P energy: -45.747 tors. eta vs tors. theta energy: -87.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -965.226343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.226343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.226343 (E_RNA) where: Base-Base interactions energy: -660.022 where: short stacking energy: -273.875 Base-Backbone interact. energy: 2.681 local terms energy: -307.885545 where: bonds (distance) C4'-P energy: -56.088 bonds (distance) P-C4' energy: -59.847 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -48.262 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: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -791.332831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.332831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.332831 (E_RNA) where: Base-Base interactions energy: -510.388 where: short stacking energy: -227.071 Base-Backbone interact. energy: -1.617 local terms energy: -279.328433 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -68.862 flat angles C4'-P-C4' energy: -55.777 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: -55.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -698.225867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.225867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.225867 (E_RNA) where: Base-Base interactions energy: -453.503 where: short stacking energy: -219.167 Base-Backbone interact. energy: -2.117 local terms energy: -242.606066 where: bonds (distance) C4'-P energy: -50.927 bonds (distance) P-C4' energy: -49.054 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -25.248 tors. eta vs tors. theta energy: -55.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -590.933044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.933044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.933044 (E_RNA) where: Base-Base interactions energy: -348.245 where: short stacking energy: -161.929 Base-Backbone interact. energy: -0.680 local terms energy: -242.007507 where: bonds (distance) C4'-P energy: -60.431 bonds (distance) P-C4' energy: -56.295 flat angles C4'-P-C4' energy: -58.819 flat angles P-C4'-P energy: -31.028 tors. eta vs tors. theta energy: -35.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -358.298363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.298363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.298363 (E_RNA) where: Base-Base interactions energy: -171.228 where: short stacking energy: -99.345 Base-Backbone interact. energy: 3.589 local terms energy: -190.659489 where: bonds (distance) C4'-P energy: -41.255 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -44.976 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -297.432212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.432212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.432212 (E_RNA) where: Base-Base interactions energy: -113.099 where: short stacking energy: -96.899 Base-Backbone interact. energy: 1.950 local terms energy: -186.283507 where: bonds (distance) C4'-P energy: -47.179 bonds (distance) P-C4' energy: -47.857 flat angles C4'-P-C4' energy: -56.288 flat angles P-C4'-P energy: -32.158 tors. eta vs tors. theta energy: -2.802 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: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1140.369485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.369485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.369485 (E_RNA) where: Base-Base interactions energy: -779.327 where: short stacking energy: -331.437 Base-Backbone interact. energy: -3.897 local terms energy: -357.144858 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -72.990 flat angles C4'-P-C4' energy: -79.907 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: -99.622 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: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1074.742237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.742237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.742237 (E_RNA) where: Base-Base interactions energy: -737.441 where: short stacking energy: -319.966 Base-Backbone interact. energy: -1.069 local terms energy: -336.231574 where: bonds (distance) C4'-P energy: -66.072 bonds (distance) P-C4' energy: -61.644 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -94.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1020.214773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.214773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.214773 (E_RNA) where: Base-Base interactions energy: -709.004 where: short stacking energy: -303.277 Base-Backbone interact. energy: -1.422 local terms energy: -309.788089 where: bonds (distance) C4'-P energy: -53.579 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -41.350 tors. eta vs tors. theta energy: -88.487 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: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -945.211648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.211648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.211648 (E_RNA) where: Base-Base interactions energy: -657.118 where: short stacking energy: -305.890 Base-Backbone interact. energy: -0.131 local terms energy: -287.963071 where: bonds (distance) C4'-P energy: -48.928 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -61.532 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -76.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -963.193092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.193092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.193092 (E_RNA) where: Base-Base interactions energy: -668.510 where: short stacking energy: -262.513 Base-Backbone interact. energy: -5.196 local terms energy: -289.486983 where: bonds (distance) C4'-P energy: -57.959 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -53.113 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -76.270 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: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -845.355581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.355581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.355581 (E_RNA) where: Base-Base interactions energy: -550.933 where: short stacking energy: -242.022 Base-Backbone interact. energy: 2.193 local terms energy: -296.616201 where: bonds (distance) C4'-P energy: -57.876 bonds (distance) P-C4' energy: -69.419 flat angles C4'-P-C4' energy: -56.785 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: -63.942 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: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -689.130145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.130145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.130145 (E_RNA) where: Base-Base interactions energy: -420.516 where: short stacking energy: -198.180 Base-Backbone interact. energy: -0.665 local terms energy: -267.949387 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -52.657 flat angles P-C4'-P energy: -41.018 tors. eta vs tors. theta energy: -45.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -624.274702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.274702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.274702 (E_RNA) where: Base-Base interactions energy: -371.254 where: short stacking energy: -186.275 Base-Backbone interact. energy: -1.085 local terms energy: -251.936620 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -65.131 flat angles C4'-P-C4' energy: -60.755 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -32.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -427.858462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.858462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.858462 (E_RNA) where: Base-Base interactions energy: -223.325 where: short stacking energy: -124.030 Base-Backbone interact. energy: 0.796 local terms energy: -205.329277 where: bonds (distance) C4'-P energy: -37.079 bonds (distance) P-C4' energy: -67.137 flat angles C4'-P-C4' energy: -43.393 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -268.450423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.450423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.450423 (E_RNA) where: Base-Base interactions energy: -82.237 where: short stacking energy: -67.749 Base-Backbone interact. energy: 0.106 local terms energy: -186.319658 where: bonds (distance) C4'-P energy: -57.757 bonds (distance) P-C4' energy: -57.936 flat angles C4'-P-C4' energy: -45.232 flat angles P-C4'-P energy: -29.423 tors. eta vs tors. theta energy: 4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1134.097780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.097780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.097780 (E_RNA) where: Base-Base interactions energy: -765.340 where: short stacking energy: -324.273 Base-Backbone interact. energy: -1.455 local terms energy: -367.302789 where: bonds (distance) C4'-P energy: -67.583 bonds (distance) P-C4' energy: -72.816 flat angles C4'-P-C4' energy: -75.854 flat angles P-C4'-P energy: -55.632 tors. eta vs tors. theta energy: -95.418 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: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1102.922739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.922739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.922739 (E_RNA) where: Base-Base interactions energy: -750.749 where: short stacking energy: -324.456 Base-Backbone interact. energy: -2.088 local terms energy: -350.085756 where: bonds (distance) C4'-P energy: -72.710 bonds (distance) P-C4' energy: -55.176 flat angles C4'-P-C4' energy: -63.430 flat angles P-C4'-P energy: -60.178 tors. eta vs tors. theta energy: -98.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1025.675939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.675939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.675939 (E_RNA) where: Base-Base interactions energy: -708.240 where: short stacking energy: -315.081 Base-Backbone interact. energy: -0.807 local terms energy: -316.629302 where: bonds (distance) C4'-P energy: -67.537 bonds (distance) P-C4' energy: -55.263 flat angles C4'-P-C4' energy: -70.708 flat angles P-C4'-P energy: -44.689 tors. eta vs tors. theta energy: -78.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -954.506432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.506432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.506432 (E_RNA) where: Base-Base interactions energy: -645.363 where: short stacking energy: -283.399 Base-Backbone interact. energy: -0.703 local terms energy: -308.439765 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -56.472 flat angles C4'-P-C4' energy: -68.460 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -87.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -954.589741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.589741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.589741 (E_RNA) where: Base-Base interactions energy: -650.145 where: short stacking energy: -263.893 Base-Backbone interact. energy: -1.304 local terms energy: -303.140676 where: bonds (distance) C4'-P energy: -50.138 bonds (distance) P-C4' energy: -64.031 flat angles C4'-P-C4' energy: -65.960 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -78.377 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: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -828.106127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.106127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.106127 (E_RNA) where: Base-Base interactions energy: -558.863 where: short stacking energy: -228.086 Base-Backbone interact. energy: -1.123 local terms energy: -268.120714 where: bonds (distance) C4'-P energy: -51.881 bonds (distance) P-C4' energy: -58.944 flat angles C4'-P-C4' energy: -68.314 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -51.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -674.887968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.887968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.887968 (E_RNA) where: Base-Base interactions energy: -412.535 where: short stacking energy: -202.827 Base-Backbone interact. energy: 5.957 local terms energy: -268.309755 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -64.147 flat angles C4'-P-C4' energy: -59.382 flat angles P-C4'-P energy: -37.869 tors. eta vs tors. theta energy: -45.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -624.389097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.389097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.389097 (E_RNA) where: Base-Base interactions energy: -391.368 where: short stacking energy: -176.659 Base-Backbone interact. energy: -1.621 local terms energy: -231.400782 where: bonds (distance) C4'-P energy: -36.507 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -57.762 flat angles P-C4'-P energy: -27.193 tors. eta vs tors. theta energy: -42.705 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: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -367.507755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.507755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.507755 (E_RNA) where: Base-Base interactions energy: -176.057 where: short stacking energy: -105.216 Base-Backbone interact. energy: -0.177 local terms energy: -191.273857 where: bonds (distance) C4'-P energy: -53.028 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -52.912 flat angles P-C4'-P energy: -31.048 tors. eta vs tors. theta energy: 1.903 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: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -298.270893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.270893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.270893 (E_RNA) where: Base-Base interactions energy: -112.526 where: short stacking energy: -77.907 Base-Backbone interact. energy: -0.011 local terms energy: -185.734829 where: bonds (distance) C4'-P energy: -57.812 bonds (distance) P-C4' energy: -59.193 flat angles C4'-P-C4' energy: -50.214 flat angles P-C4'-P energy: -32.295 tors. eta vs tors. theta energy: 13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1139.902493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.902493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.902493 (E_RNA) where: Base-Base interactions energy: -789.161 where: short stacking energy: -326.439 Base-Backbone interact. energy: -1.295 local terms energy: -349.445940 where: bonds (distance) C4'-P energy: -68.608 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -71.386 flat angles P-C4'-P energy: -50.901 tors. eta vs tors. theta energy: -95.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1118.736912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.736912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.736912 (E_RNA) where: Base-Base interactions energy: -750.547 where: short stacking energy: -322.207 Base-Backbone interact. energy: -1.622 local terms energy: -366.568351 where: bonds (distance) C4'-P energy: -69.134 bonds (distance) P-C4' energy: -63.958 flat angles C4'-P-C4' energy: -74.441 flat angles P-C4'-P energy: -52.323 tors. eta vs tors. theta energy: -106.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1014.156503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.156503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.156503 (E_RNA) where: Base-Base interactions energy: -687.655 where: short stacking energy: -289.988 Base-Backbone interact. energy: -0.610 local terms energy: -325.891795 where: bonds (distance) C4'-P energy: -66.084 bonds (distance) P-C4' energy: -68.625 flat angles C4'-P-C4' energy: -69.036 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -73.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -914.854262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.854262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.854262 (E_RNA) where: Base-Base interactions energy: -625.974 where: short stacking energy: -278.733 Base-Backbone interact. energy: -2.107 local terms energy: -286.773185 where: bonds (distance) C4'-P energy: -52.036 bonds (distance) P-C4' energy: -53.475 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -40.423 tors. eta vs tors. theta energy: -71.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -876.665120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.665120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.665120 (E_RNA) where: Base-Base interactions energy: -575.539 where: short stacking energy: -237.306 Base-Backbone interact. energy: -1.017 local terms energy: -300.109085 where: bonds (distance) C4'-P energy: -62.948 bonds (distance) P-C4' energy: -65.277 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -39.433 tors. eta vs tors. theta energy: -64.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -940.218207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.218207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.218207 (E_RNA) where: Base-Base interactions energy: -640.831 where: short stacking energy: -246.179 Base-Backbone interact. energy: 0.056 local terms energy: -299.443698 where: bonds (distance) C4'-P energy: -63.754 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -62.739 flat angles P-C4'-P energy: -35.687 tors. eta vs tors. theta energy: -73.209 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: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -692.356666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.356666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.356666 (E_RNA) where: Base-Base interactions energy: -417.829 where: short stacking energy: -208.875 Base-Backbone interact. energy: -0.234 local terms energy: -274.294381 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -61.408 flat angles P-C4'-P energy: -39.029 tors. eta vs tors. theta energy: -50.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -603.735834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.735834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.735834 (E_RNA) where: Base-Base interactions energy: -360.781 where: short stacking energy: -169.181 Base-Backbone interact. energy: -2.004 local terms energy: -240.950078 where: bonds (distance) C4'-P energy: -61.261 bonds (distance) P-C4' energy: -45.568 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -30.621 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: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -366.487287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.487287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.487287 (E_RNA) where: Base-Base interactions energy: -178.849 where: short stacking energy: -95.807 Base-Backbone interact. energy: 1.561 local terms energy: -189.199628 where: bonds (distance) C4'-P energy: -51.726 bonds (distance) P-C4' energy: -50.474 flat angles C4'-P-C4' energy: -54.813 flat angles P-C4'-P energy: -38.376 tors. eta vs tors. theta energy: 6.189 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: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -272.328669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.328669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.328669 (E_RNA) where: Base-Base interactions energy: -95.727 where: short stacking energy: -82.170 Base-Backbone interact. energy: 3.705 local terms energy: -180.306472 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -37.780 flat angles P-C4'-P energy: -31.119 tors. eta vs tors. theta energy: 0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1140.086990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.086990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.086990 (E_RNA) where: Base-Base interactions energy: -781.974 where: short stacking energy: -321.758 Base-Backbone interact. energy: 1.509 local terms energy: -359.621498 where: bonds (distance) C4'-P energy: -57.869 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -75.821 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -104.700 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: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1109.908303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.908303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.908303 (E_RNA) where: Base-Base interactions energy: -766.818 where: short stacking energy: -335.749 Base-Backbone interact. energy: -1.511 local terms energy: -341.579587 where: bonds (distance) C4'-P energy: -64.292 bonds (distance) P-C4' energy: -65.216 flat angles C4'-P-C4' energy: -67.563 flat angles P-C4'-P energy: -35.731 tors. eta vs tors. theta energy: -108.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1008.015392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.015392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.015392 (E_RNA) where: Base-Base interactions energy: -701.492 where: short stacking energy: -302.558 Base-Backbone interact. energy: -0.381 local terms energy: -306.142185 where: bonds (distance) C4'-P energy: -53.364 bonds (distance) P-C4' energy: -62.110 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -76.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -924.314721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.314721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.314721 (E_RNA) where: Base-Base interactions energy: -633.496 where: short stacking energy: -278.104 Base-Backbone interact. energy: -0.243 local terms energy: -290.575773 where: bonds (distance) C4'-P energy: -49.509 bonds (distance) P-C4' energy: -62.350 flat angles C4'-P-C4' energy: -56.267 flat angles P-C4'-P energy: -40.451 tors. eta vs tors. theta energy: -81.999 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: 3 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -861.381106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.381106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.381106 (E_RNA) where: Base-Base interactions energy: -580.926 where: short stacking energy: -262.002 Base-Backbone interact. energy: -1.576 local terms energy: -278.879700 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -58.992 flat angles C4'-P-C4' energy: -65.459 flat angles P-C4'-P energy: -35.240 tors. eta vs tors. theta energy: -66.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -940.443559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.443559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.443559 (E_RNA) where: Base-Base interactions energy: -622.502 where: short stacking energy: -263.072 Base-Backbone interact. energy: -1.824 local terms energy: -316.117521 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -64.463 flat angles C4'-P-C4' energy: -68.738 flat angles P-C4'-P energy: -43.654 tors. eta vs tors. theta energy: -75.279 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: 7, replica: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -673.768226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.768226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.768226 (E_RNA) where: Base-Base interactions energy: -435.795 where: short stacking energy: -209.675 Base-Backbone interact. energy: -1.229 local terms energy: -236.744276 where: bonds (distance) C4'-P energy: -38.055 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -57.327 flat angles P-C4'-P energy: -38.253 tors. eta vs tors. theta energy: -41.222 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: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -583.138691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.138691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.138691 (E_RNA) where: Base-Base interactions energy: -347.143 where: short stacking energy: -155.140 Base-Backbone interact. energy: -2.951 local terms energy: -233.045148 where: bonds (distance) C4'-P energy: -50.659 bonds (distance) P-C4' energy: -55.928 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -41.251 tors. eta vs tors. theta energy: -27.876 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: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -360.504785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.504785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.504785 (E_RNA) where: Base-Base interactions energy: -176.848 where: short stacking energy: -95.859 Base-Backbone interact. energy: 0.506 local terms energy: -184.163239 where: bonds (distance) C4'-P energy: -50.048 bonds (distance) P-C4' energy: -56.846 flat angles C4'-P-C4' energy: -49.598 flat angles P-C4'-P energy: -39.309 tors. eta vs tors. theta energy: 11.638 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: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -260.630819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.630819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.630819 (E_RNA) where: Base-Base interactions energy: -94.851 where: short stacking energy: -69.625 Base-Backbone interact. energy: 1.471 local terms energy: -167.251186 where: bonds (distance) C4'-P energy: -52.125 bonds (distance) P-C4' energy: -54.076 flat angles C4'-P-C4' energy: -47.156 flat angles P-C4'-P energy: -28.475 tors. eta vs tors. theta energy: 14.581 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: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1138.842663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.842663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.842663 (E_RNA) where: Base-Base interactions energy: -781.657 where: short stacking energy: -330.398 Base-Backbone interact. energy: 0.896 local terms energy: -358.081738 where: bonds (distance) C4'-P energy: -60.450 bonds (distance) P-C4' energy: -74.488 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -103.771 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: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1099.802237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.802237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.802237 (E_RNA) where: Base-Base interactions energy: -746.282 where: short stacking energy: -323.852 Base-Backbone interact. energy: -0.919 local terms energy: -352.600750 where: bonds (distance) C4'-P energy: -64.658 bonds (distance) P-C4' energy: -67.862 flat angles C4'-P-C4' energy: -70.348 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: -101.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -960.545933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.545933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.545933 (E_RNA) where: Base-Base interactions energy: -640.320 where: short stacking energy: -283.800 Base-Backbone interact. energy: 1.069 local terms energy: -321.295106 where: bonds (distance) C4'-P energy: -55.789 bonds (distance) P-C4' energy: -61.175 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -59.434 tors. eta vs tors. theta energy: -74.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -977.757515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.757515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.757515 (E_RNA) where: Base-Base interactions energy: -645.993 where: short stacking energy: -271.397 Base-Backbone interact. energy: -0.960 local terms energy: -330.805029 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -65.942 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -44.610 tors. eta vs tors. theta energy: -81.120 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: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -933.865302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.865302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.865302 (E_RNA) where: Base-Base interactions energy: -649.329 where: short stacking energy: -265.476 Base-Backbone interact. energy: -1.257 local terms energy: -283.279887 where: bonds (distance) C4'-P energy: -57.224 bonds (distance) P-C4' energy: -55.113 flat angles C4'-P-C4' energy: -56.072 flat angles P-C4'-P energy: -37.559 tors. eta vs tors. theta energy: -77.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -850.678959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.678959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.678959 (E_RNA) where: Base-Base interactions energy: -577.016 where: short stacking energy: -253.244 Base-Backbone interact. energy: -0.940 local terms energy: -272.722452 where: bonds (distance) C4'-P energy: -64.582 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -56.712 flat angles P-C4'-P energy: -24.462 tors. eta vs tors. theta energy: -62.910 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: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -704.526536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.526536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.526536 (E_RNA) where: Base-Base interactions energy: -452.663 where: short stacking energy: -226.417 Base-Backbone interact. energy: -0.909 local terms energy: -250.953874 where: bonds (distance) C4'-P energy: -38.407 bonds (distance) P-C4' energy: -52.059 flat angles C4'-P-C4' energy: -70.841 flat angles P-C4'-P energy: -37.653 tors. eta vs tors. theta energy: -51.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -549.712160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.712160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.712160 (E_RNA) where: Base-Base interactions energy: -326.039 where: short stacking energy: -150.655 Base-Backbone interact. energy: -1.042 local terms energy: -222.631163 where: bonds (distance) C4'-P energy: -53.533 bonds (distance) P-C4' energy: -51.815 flat angles C4'-P-C4' energy: -50.543 flat angles P-C4'-P energy: -38.373 tors. eta vs tors. theta energy: -28.366 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: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -366.129780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.129780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.129780 (E_RNA) where: Base-Base interactions energy: -164.034 where: short stacking energy: -109.147 Base-Backbone interact. energy: -0.397 local terms energy: -201.697919 where: bonds (distance) C4'-P energy: -67.861 bonds (distance) P-C4' energy: -56.390 flat angles C4'-P-C4' energy: -34.267 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: -11.663 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: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -306.218685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.218685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.218685 (E_RNA) where: Base-Base interactions energy: -111.378 where: short stacking energy: -84.225 Base-Backbone interact. energy: 1.006 local terms energy: -195.847548 where: bonds (distance) C4'-P energy: -42.931 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -46.661 flat angles P-C4'-P energy: -41.215 tors. eta vs tors. theta energy: -2.040 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: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1136.506209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.506209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.506209 (E_RNA) where: Base-Base interactions energy: -784.326 where: short stacking energy: -342.266 Base-Backbone interact. energy: -1.537 local terms energy: -350.643135 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -64.236 flat angles C4'-P-C4' energy: -82.858 flat angles P-C4'-P energy: -43.766 tors. eta vs tors. theta energy: -100.934 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: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1091.742527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.742527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.742527 (E_RNA) where: Base-Base interactions energy: -755.198 where: short stacking energy: -328.008 Base-Backbone interact. energy: -0.500 local terms energy: -336.044747 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -65.638 flat angles C4'-P-C4' energy: -75.858 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -93.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -996.295825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.295825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.295825 (E_RNA) where: Base-Base interactions energy: -669.164 where: short stacking energy: -298.900 Base-Backbone interact. energy: -1.122 local terms energy: -326.009525 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -65.859 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -80.328 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: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -987.134725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.134725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.134725 (E_RNA) where: Base-Base interactions energy: -674.502 where: short stacking energy: -298.250 Base-Backbone interact. energy: -0.554 local terms energy: -312.078129 where: bonds (distance) C4'-P energy: -57.249 bonds (distance) P-C4' energy: -65.817 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -86.038 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: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -955.592610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.592610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.592610 (E_RNA) where: Base-Base interactions energy: -663.881 where: short stacking energy: -262.268 Base-Backbone interact. energy: -1.953 local terms energy: -289.758516 where: bonds (distance) C4'-P energy: -49.892 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -36.955 tors. eta vs tors. theta energy: -81.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -820.498141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.498141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.498141 (E_RNA) where: Base-Base interactions energy: -558.379 where: short stacking energy: -243.710 Base-Backbone interact. energy: -2.012 local terms energy: -260.106924 where: bonds (distance) C4'-P energy: -57.404 bonds (distance) P-C4' energy: -60.635 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -47.856 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -695.364129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.364129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.364129 (E_RNA) where: Base-Base interactions energy: -436.611 where: short stacking energy: -212.585 Base-Backbone interact. energy: -0.831 local terms energy: -257.921604 where: bonds (distance) C4'-P energy: -52.537 bonds (distance) P-C4' energy: -52.724 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -36.756 tors. eta vs tors. theta energy: -50.245 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: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -575.625380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.625380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.625380 (E_RNA) where: Base-Base interactions energy: -351.272 where: short stacking energy: -181.493 Base-Backbone interact. energy: 6.599 local terms energy: -230.951806 where: bonds (distance) C4'-P energy: -44.075 bonds (distance) P-C4' energy: -65.204 flat angles C4'-P-C4' energy: -52.625 flat angles P-C4'-P energy: -36.659 tors. eta vs tors. theta energy: -32.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -354.082445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.082445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.082445 (E_RNA) where: Base-Base interactions energy: -158.655 where: short stacking energy: -115.673 Base-Backbone interact. energy: -0.804 local terms energy: -194.623266 where: bonds (distance) C4'-P energy: -53.886 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -48.687 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -6.388 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: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -265.665889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.665889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.665889 (E_RNA) where: Base-Base interactions energy: -79.819 where: short stacking energy: -64.117 Base-Backbone interact. energy: -0.515 local terms energy: -185.331101 where: bonds (distance) C4'-P energy: -59.225 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -48.055 flat angles P-C4'-P energy: -29.779 tors. eta vs tors. theta energy: 13.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1130.242125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.242125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.242125 (E_RNA) where: Base-Base interactions energy: -771.782 where: short stacking energy: -327.635 Base-Backbone interact. energy: -1.867 local terms energy: -356.593040 where: bonds (distance) C4'-P energy: -65.605 bonds (distance) P-C4' energy: -65.017 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -101.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1102.971172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.971172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.971172 (E_RNA) where: Base-Base interactions energy: -753.250 where: short stacking energy: -327.710 Base-Backbone interact. energy: 2.969 local terms energy: -352.690320 where: bonds (distance) C4'-P energy: -66.208 bonds (distance) P-C4' energy: -59.149 flat angles C4'-P-C4' energy: -74.489 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -95.604 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: 6 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1010.973979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.973979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.973979 (E_RNA) where: Base-Base interactions energy: -700.765 where: short stacking energy: -308.346 Base-Backbone interact. energy: -0.771 local terms energy: -309.438123 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -59.504 flat angles C4'-P-C4' energy: -69.420 flat angles P-C4'-P energy: -45.129 tors. eta vs tors. theta energy: -79.512 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: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -975.580578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.580578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.580578 (E_RNA) where: Base-Base interactions energy: -663.982 where: short stacking energy: -281.179 Base-Backbone interact. energy: -0.651 local terms energy: -310.946841 where: bonds (distance) C4'-P energy: -57.152 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -60.160 flat angles P-C4'-P energy: -34.561 tors. eta vs tors. theta energy: -91.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -930.650389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.650389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.650389 (E_RNA) where: Base-Base interactions energy: -640.349 where: short stacking energy: -260.339 Base-Backbone interact. energy: -3.213 local terms energy: -287.088481 where: bonds (distance) C4'-P energy: -48.262 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -60.012 flat angles P-C4'-P energy: -45.048 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: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -804.885114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.885114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.885114 (E_RNA) where: Base-Base interactions energy: -513.912 where: short stacking energy: -209.973 Base-Backbone interact. energy: -0.129 local terms energy: -290.844357 where: bonds (distance) C4'-P energy: -54.924 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -68.567 flat angles P-C4'-P energy: -45.341 tors. eta vs tors. theta energy: -56.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -709.610865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.610865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.610865 (E_RNA) where: Base-Base interactions energy: -468.406 where: short stacking energy: -218.996 Base-Backbone interact. energy: 0.208 local terms energy: -241.412461 where: bonds (distance) C4'-P energy: -49.512 bonds (distance) P-C4' energy: -57.911 flat angles C4'-P-C4' energy: -49.184 flat angles P-C4'-P energy: -35.967 tors. eta vs tors. theta energy: -48.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -597.241425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.241425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.241425 (E_RNA) where: Base-Base interactions energy: -374.168 where: short stacking energy: -192.926 Base-Backbone interact. energy: -1.013 local terms energy: -222.060726 where: bonds (distance) C4'-P energy: -48.766 bonds (distance) P-C4' energy: -51.250 flat angles C4'-P-C4' energy: -60.735 flat angles P-C4'-P energy: -27.582 tors. eta vs tors. theta energy: -33.728 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: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -397.496187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.496187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.496187 (E_RNA) where: Base-Base interactions energy: -194.528 where: short stacking energy: -120.681 Base-Backbone interact. energy: -0.525 local terms energy: -202.442752 where: bonds (distance) C4'-P energy: -47.638 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -53.650 flat angles P-C4'-P energy: -29.341 tors. eta vs tors. theta energy: -8.165 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: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -257.100937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.100937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.100937 (E_RNA) where: Base-Base interactions energy: -91.561 where: short stacking energy: -81.669 Base-Backbone interact. energy: 0.255 local terms energy: -165.794575 where: bonds (distance) C4'-P energy: -65.111 bonds (distance) P-C4' energy: -44.134 flat angles C4'-P-C4' energy: -40.036 flat angles P-C4'-P energy: -17.415 tors. eta vs tors. theta energy: 0.901 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: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1137.571655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.571655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.571655 (E_RNA) where: Base-Base interactions energy: -772.301 where: short stacking energy: -335.962 Base-Backbone interact. energy: -0.673 local terms energy: -364.597324 where: bonds (distance) C4'-P energy: -68.367 bonds (distance) P-C4' energy: -78.423 flat angles C4'-P-C4' energy: -63.734 flat angles P-C4'-P energy: -50.297 tors. eta vs tors. theta energy: -103.778 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: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1114.019746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.019746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.019746 (E_RNA) where: Base-Base interactions energy: -760.739 where: short stacking energy: -327.115 Base-Backbone interact. energy: 0.228 local terms energy: -353.508831 where: bonds (distance) C4'-P energy: -65.122 bonds (distance) P-C4' energy: -63.229 flat angles C4'-P-C4' energy: -73.687 flat angles P-C4'-P energy: -54.782 tors. eta vs tors. theta energy: -96.689 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: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -995.088926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.088926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.088926 (E_RNA) where: Base-Base interactions energy: -687.708 where: short stacking energy: -291.033 Base-Backbone interact. energy: -0.891 local terms energy: -306.489622 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -65.709 flat angles P-C4'-P energy: -38.070 tors. eta vs tors. theta energy: -83.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -974.191570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.191570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.191570 (E_RNA) where: Base-Base interactions energy: -668.404 where: short stacking energy: -269.558 Base-Backbone interact. energy: -0.481 local terms energy: -305.306168 where: bonds (distance) C4'-P energy: -64.404 bonds (distance) P-C4' energy: -52.975 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: -78.025 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: 1 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -954.884510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.884510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.884510 (E_RNA) where: Base-Base interactions energy: -653.194 where: short stacking energy: -258.964 Base-Backbone interact. energy: -3.056 local terms energy: -298.633978 where: bonds (distance) C4'-P energy: -59.144 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -59.736 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: -78.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -792.354631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.354631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.354631 (E_RNA) where: Base-Base interactions energy: -519.479 where: short stacking energy: -216.131 Base-Backbone interact. energy: -0.500 local terms energy: -272.375037 where: bonds (distance) C4'-P energy: -49.923 bonds (distance) P-C4' energy: -54.497 flat angles C4'-P-C4' energy: -61.403 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -59.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -674.204853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.204853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.204853 (E_RNA) where: Base-Base interactions energy: -423.919 where: short stacking energy: -189.729 Base-Backbone interact. energy: -0.056 local terms energy: -250.229994 where: bonds (distance) C4'-P energy: -58.109 bonds (distance) P-C4' energy: -55.001 flat angles C4'-P-C4' energy: -49.553 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -44.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -596.929528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.929528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.929528 (E_RNA) where: Base-Base interactions energy: -375.219 where: short stacking energy: -184.610 Base-Backbone interact. energy: 0.747 local terms energy: -222.457013 where: bonds (distance) C4'-P energy: -60.074 bonds (distance) P-C4' energy: -60.030 flat angles C4'-P-C4' energy: -43.515 flat angles P-C4'-P energy: -26.265 tors. eta vs tors. theta energy: -32.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -440.465287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.465287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.465287 (E_RNA) where: Base-Base interactions energy: -220.901 where: short stacking energy: -119.300 Base-Backbone interact. energy: -1.329 local terms energy: -218.235091 where: bonds (distance) C4'-P energy: -52.099 bonds (distance) P-C4' energy: -55.972 flat angles C4'-P-C4' energy: -54.746 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -14.310 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: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -275.889393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.889393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.889393 (E_RNA) where: Base-Base interactions energy: -81.108 where: short stacking energy: -83.045 Base-Backbone interact. energy: -1.534 local terms energy: -193.247425 where: bonds (distance) C4'-P energy: -53.307 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -56.435 flat angles P-C4'-P energy: -28.155 tors. eta vs tors. theta energy: 3.943 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: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1139.820730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.820730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.820730 (E_RNA) where: Base-Base interactions energy: -771.531 where: short stacking energy: -324.739 Base-Backbone interact. energy: 2.252 local terms energy: -370.541926 where: bonds (distance) C4'-P energy: -67.116 bonds (distance) P-C4' energy: -71.573 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -100.618 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: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1107.072136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.072136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.072136 (E_RNA) where: Base-Base interactions energy: -770.650 where: short stacking energy: -310.157 Base-Backbone interact. energy: -0.872 local terms energy: -335.550161 where: bonds (distance) C4'-P energy: -52.278 bonds (distance) P-C4' energy: -61.524 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -57.523 tors. eta vs tors. theta energy: -90.189 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: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -990.504024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.504024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.504024 (E_RNA) where: Base-Base interactions energy: -669.858 where: short stacking energy: -292.530 Base-Backbone interact. energy: -0.573 local terms energy: -320.072990 where: bonds (distance) C4'-P energy: -59.061 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -60.617 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -85.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1005.266840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.266840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.266840 (E_RNA) where: Base-Base interactions energy: -699.272 where: short stacking energy: -285.718 Base-Backbone interact. energy: -0.613 local terms energy: -305.382028 where: bonds (distance) C4'-P energy: -61.033 bonds (distance) P-C4' energy: -63.083 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -86.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -977.776738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.776738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.776738 (E_RNA) where: Base-Base interactions energy: -696.594 where: short stacking energy: -279.786 Base-Backbone interact. energy: 3.102 local terms energy: -284.284591 where: bonds (distance) C4'-P energy: -53.104 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -64.531 flat angles P-C4'-P energy: -36.631 tors. eta vs tors. theta energy: -76.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -787.147678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.147678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.147678 (E_RNA) where: Base-Base interactions energy: -512.675 where: short stacking energy: -231.663 Base-Backbone interact. energy: -0.685 local terms energy: -273.787365 where: bonds (distance) C4'-P energy: -61.477 bonds (distance) P-C4' energy: -60.315 flat angles C4'-P-C4' energy: -67.290 flat angles P-C4'-P energy: -27.518 tors. eta vs tors. theta energy: -57.187 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: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -669.198144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.198144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.198144 (E_RNA) where: Base-Base interactions energy: -412.177 where: short stacking energy: -182.911 Base-Backbone interact. energy: -2.235 local terms energy: -254.786143 where: bonds (distance) C4'-P energy: -65.640 bonds (distance) P-C4' energy: -52.510 flat angles C4'-P-C4' energy: -52.705 flat angles P-C4'-P energy: -37.340 tors. eta vs tors. theta energy: -46.591 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: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -576.952523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.952523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.952523 (E_RNA) where: Base-Base interactions energy: -367.564 where: short stacking energy: -174.745 Base-Backbone interact. energy: 3.569 local terms energy: -212.957871 where: bonds (distance) C4'-P energy: -50.082 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -47.915 flat angles P-C4'-P energy: -33.294 tors. eta vs tors. theta energy: -17.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -499.009756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.009756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.009756 (E_RNA) where: Base-Base interactions energy: -285.734 where: short stacking energy: -133.080 Base-Backbone interact. energy: -1.797 local terms energy: -211.478202 where: bonds (distance) C4'-P energy: -50.831 bonds (distance) P-C4' energy: -53.715 flat angles C4'-P-C4' energy: -47.317 flat angles P-C4'-P energy: -39.994 tors. eta vs tors. theta energy: -19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -281.248694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.248694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.248694 (E_RNA) where: Base-Base interactions energy: -109.596 where: short stacking energy: -86.951 Base-Backbone interact. energy: -2.990 local terms energy: -168.662172 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -58.483 flat angles C4'-P-C4' energy: -54.392 flat angles P-C4'-P energy: -16.577 tors. eta vs tors. theta energy: 18.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1133.037579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.037579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.037579 (E_RNA) where: Base-Base interactions energy: -791.215 where: short stacking energy: -343.076 Base-Backbone interact. energy: -0.509 local terms energy: -341.313611 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -63.368 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -101.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1088.444066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.444066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.444066 (E_RNA) where: Base-Base interactions energy: -757.904 where: short stacking energy: -330.536 Base-Backbone interact. energy: -1.538 local terms energy: -329.002885 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -57.443 flat angles C4'-P-C4' energy: -72.917 flat angles P-C4'-P energy: -43.825 tors. eta vs tors. theta energy: -97.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1020.817080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.817080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.817080 (E_RNA) where: Base-Base interactions energy: -685.772 where: short stacking energy: -311.824 Base-Backbone interact. energy: 0.009 local terms energy: -335.054190 where: bonds (distance) C4'-P energy: -47.229 bonds (distance) P-C4' energy: -62.594 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -97.260 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: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -987.084871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.084871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.084871 (E_RNA) where: Base-Base interactions energy: -684.024 where: short stacking energy: -276.630 Base-Backbone interact. energy: 2.236 local terms energy: -305.296318 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -51.628 flat angles C4'-P-C4' energy: -67.393 flat angles P-C4'-P energy: -49.010 tors. eta vs tors. theta energy: -74.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -956.084372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.084372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.084372 (E_RNA) where: Base-Base interactions energy: -656.725 where: short stacking energy: -259.718 Base-Backbone interact. energy: 2.085 local terms energy: -301.444622 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -58.408 flat angles C4'-P-C4' energy: -62.202 flat angles P-C4'-P energy: -42.926 tors. eta vs tors. theta energy: -79.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -792.065349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.065349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.065349 (E_RNA) where: Base-Base interactions energy: -520.436 where: short stacking energy: -231.913 Base-Backbone interact. energy: -0.619 local terms energy: -271.010460 where: bonds (distance) C4'-P energy: -48.091 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -67.361 flat angles P-C4'-P energy: -38.480 tors. eta vs tors. theta energy: -56.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -699.986422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.986422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.986422 (E_RNA) where: Base-Base interactions energy: -438.078 where: short stacking energy: -214.824 Base-Backbone interact. energy: -2.495 local terms energy: -259.413780 where: bonds (distance) C4'-P energy: -56.297 bonds (distance) P-C4' energy: -54.510 flat angles C4'-P-C4' energy: -63.148 flat angles P-C4'-P energy: -31.850 tors. eta vs tors. theta energy: -53.610 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: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -586.428320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.428320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.428320 (E_RNA) where: Base-Base interactions energy: -358.863 where: short stacking energy: -185.687 Base-Backbone interact. energy: -0.816 local terms energy: -226.748463 where: bonds (distance) C4'-P energy: -39.073 bonds (distance) P-C4' energy: -57.125 flat angles C4'-P-C4' energy: -65.179 flat angles P-C4'-P energy: -34.141 tors. eta vs tors. theta energy: -31.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -496.665350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.665350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.665350 (E_RNA) where: Base-Base interactions energy: -282.322 where: short stacking energy: -140.755 Base-Backbone interact. energy: 1.818 local terms energy: -216.161436 where: bonds (distance) C4'-P energy: -60.896 bonds (distance) P-C4' energy: -54.601 flat angles C4'-P-C4' energy: -56.464 flat angles P-C4'-P energy: -24.074 tors. eta vs tors. theta energy: -20.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -298.053264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.053264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.053264 (E_RNA) where: Base-Base interactions energy: -139.223 where: short stacking energy: -87.506 Base-Backbone interact. energy: -1.627 local terms energy: -157.202914 where: bonds (distance) C4'-P energy: -47.924 bonds (distance) P-C4' energy: -44.419 flat angles C4'-P-C4' energy: -50.382 flat angles P-C4'-P energy: -26.151 tors. eta vs tors. theta energy: 11.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1129.743689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.743689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.743689 (E_RNA) where: Base-Base interactions energy: -768.158 where: short stacking energy: -341.456 Base-Backbone interact. energy: -0.449 local terms energy: -361.136443 where: bonds (distance) C4'-P energy: -57.923 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -75.977 flat angles P-C4'-P energy: -62.663 tors. eta vs tors. theta energy: -99.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1119.949960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.949960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.949960 (E_RNA) where: Base-Base interactions energy: -767.019 where: short stacking energy: -320.022 Base-Backbone interact. energy: -0.846 local terms energy: -352.084517 where: bonds (distance) C4'-P energy: -72.203 bonds (distance) P-C4' energy: -68.543 flat angles C4'-P-C4' energy: -69.648 flat angles P-C4'-P energy: -51.326 tors. eta vs tors. theta energy: -90.365 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: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1044.717299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.717299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.717299 (E_RNA) where: Base-Base interactions energy: -707.307 where: short stacking energy: -303.377 Base-Backbone interact. energy: -0.683 local terms energy: -336.727946 where: bonds (distance) C4'-P energy: -54.683 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -88.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1007.877820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.877820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.877820 (E_RNA) where: Base-Base interactions energy: -707.628 where: short stacking energy: -291.900 Base-Backbone interact. energy: -4.197 local terms energy: -296.053305 where: bonds (distance) C4'-P energy: -43.084 bonds (distance) P-C4' energy: -61.787 flat angles C4'-P-C4' energy: -70.421 flat angles P-C4'-P energy: -41.320 tors. eta vs tors. theta energy: -79.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -958.858788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.858788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.858788 (E_RNA) where: Base-Base interactions energy: -658.851 where: short stacking energy: -267.462 Base-Backbone interact. energy: -1.175 local terms energy: -298.832884 where: bonds (distance) C4'-P energy: -53.657 bonds (distance) P-C4' energy: -55.651 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -40.334 tors. eta vs tors. theta energy: -75.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -803.468061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.468061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.468061 (E_RNA) where: Base-Base interactions energy: -511.982 where: short stacking energy: -243.092 Base-Backbone interact. energy: -0.544 local terms energy: -290.941260 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -59.602 flat angles P-C4'-P energy: -29.090 tors. eta vs tors. theta energy: -73.142 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -612.782816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.782816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.782816 (E_RNA) where: Base-Base interactions energy: -390.917 where: short stacking energy: -161.282 Base-Backbone interact. energy: 1.936 local terms energy: -223.802184 where: bonds (distance) C4'-P energy: -47.991 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -58.328 flat angles P-C4'-P energy: -37.249 tors. eta vs tors. theta energy: -27.484 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: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -663.896068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.896068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.896068 (E_RNA) where: Base-Base interactions energy: -420.631 where: short stacking energy: -217.403 Base-Backbone interact. energy: -0.900 local terms energy: -242.364256 where: bonds (distance) C4'-P energy: -33.979 bonds (distance) P-C4' energy: -58.082 flat angles C4'-P-C4' energy: -63.196 flat angles P-C4'-P energy: -32.790 tors. eta vs tors. theta energy: -54.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -439.188744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.188744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.188744 (E_RNA) where: Base-Base interactions energy: -213.368 where: short stacking energy: -103.059 Base-Backbone interact. energy: -1.779 local terms energy: -224.042049 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -54.233 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -265.134521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.134521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.134521 (E_RNA) where: Base-Base interactions energy: -98.415 where: short stacking energy: -94.233 Base-Backbone interact. energy: -1.434 local terms energy: -165.286129 where: bonds (distance) C4'-P energy: -43.029 bonds (distance) P-C4' energy: -55.411 flat angles C4'-P-C4' energy: -46.526 flat angles P-C4'-P energy: -30.586 tors. eta vs tors. theta energy: 10.266 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: 427 Temperature: 0.900000 Total energy: -1134.744267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.744267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.744267 (E_RNA) where: Base-Base interactions energy: -778.600 where: short stacking energy: -352.375 Base-Backbone interact. energy: -0.281 local terms energy: -355.863221 where: bonds (distance) C4'-P energy: -64.292 bonds (distance) P-C4' energy: -65.294 flat angles C4'-P-C4' energy: -74.776 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -103.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1059.072044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.072044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.072044 (E_RNA) where: Base-Base interactions energy: -723.496 where: short stacking energy: -311.544 Base-Backbone interact. energy: 1.036 local terms energy: -336.611835 where: bonds (distance) C4'-P energy: -54.617 bonds (distance) P-C4' energy: -66.852 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -92.659 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: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1085.028225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.028225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.028225 (E_RNA) where: Base-Base interactions energy: -752.420 where: short stacking energy: -318.043 Base-Backbone interact. energy: -0.347 local terms energy: -332.261933 where: bonds (distance) C4'-P energy: -62.981 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -79.153 flat angles P-C4'-P energy: -39.283 tors. eta vs tors. theta energy: -91.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -985.468462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.468462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.468462 (E_RNA) where: Base-Base interactions energy: -674.280 where: short stacking energy: -278.582 Base-Backbone interact. energy: -0.557 local terms energy: -310.631634 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -60.956 flat angles C4'-P-C4' energy: -71.809 flat angles P-C4'-P energy: -35.082 tors. eta vs tors. theta energy: -79.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -984.935851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.935851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.935851 (E_RNA) where: Base-Base interactions energy: -673.453 where: short stacking energy: -298.379 Base-Backbone interact. energy: -0.530 local terms energy: -310.952592 where: bonds (distance) C4'-P energy: -57.977 bonds (distance) P-C4' energy: -54.809 flat angles C4'-P-C4' energy: -63.800 flat angles P-C4'-P energy: -46.220 tors. eta vs tors. theta energy: -88.147 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: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -782.127602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.127602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.127602 (E_RNA) where: Base-Base interactions energy: -507.614 where: short stacking energy: -231.230 Base-Backbone interact. energy: -1.428 local terms energy: -273.085429 where: bonds (distance) C4'-P energy: -60.250 bonds (distance) P-C4' energy: -55.678 flat angles C4'-P-C4' energy: -55.163 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -52.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -588.096683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.096683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.096683 (E_RNA) where: Base-Base interactions energy: -353.250 where: short stacking energy: -161.136 Base-Backbone interact. energy: -3.083 local terms energy: -231.764011 where: bonds (distance) C4'-P energy: -53.418 bonds (distance) P-C4' energy: -68.504 flat angles C4'-P-C4' energy: -45.258 flat angles P-C4'-P energy: -26.804 tors. eta vs tors. theta energy: -37.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -638.268356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.268356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.268356 (E_RNA) where: Base-Base interactions energy: -386.583 where: short stacking energy: -200.722 Base-Backbone interact. energy: -1.680 local terms energy: -250.005076 where: bonds (distance) C4'-P energy: -45.820 bonds (distance) P-C4' energy: -66.936 flat angles C4'-P-C4' energy: -59.045 flat angles P-C4'-P energy: -33.806 tors. eta vs tors. theta energy: -44.397 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: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -458.831065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.831065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.831065 (E_RNA) where: Base-Base interactions energy: -253.681 where: short stacking energy: -123.015 Base-Backbone interact. energy: -1.781 local terms energy: -203.368607 where: bonds (distance) C4'-P energy: -46.641 bonds (distance) P-C4' energy: -61.720 flat angles C4'-P-C4' energy: -53.263 flat angles P-C4'-P energy: -32.765 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: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -310.999804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -310.999804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -310.999804 (E_RNA) where: Base-Base interactions energy: -108.518 where: short stacking energy: -91.873 Base-Backbone interact. energy: -0.827 local terms energy: -201.655275 where: bonds (distance) C4'-P energy: -49.426 bonds (distance) P-C4' energy: -56.035 flat angles C4'-P-C4' energy: -60.902 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1128.719461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.719461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.719461 (E_RNA) where: Base-Base interactions energy: -769.144 where: short stacking energy: -337.942 Base-Backbone interact. energy: -0.327 local terms energy: -359.248761 where: bonds (distance) C4'-P energy: -57.651 bonds (distance) P-C4' energy: -65.654 flat angles C4'-P-C4' energy: -81.801 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -101.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1059.029539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.029539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.029539 (E_RNA) where: Base-Base interactions energy: -735.533 where: short stacking energy: -314.056 Base-Backbone interact. energy: -1.176 local terms energy: -322.320084 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -53.006 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -49.067 tors. eta vs tors. theta energy: -88.362 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: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1084.420367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.420367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.420367 (E_RNA) where: Base-Base interactions energy: -739.201 where: short stacking energy: -314.530 Base-Backbone interact. energy: 0.215 local terms energy: -345.434523 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -67.345 flat angles C4'-P-C4' energy: -65.303 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -92.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -985.480140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.480140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.480140 (E_RNA) where: Base-Base interactions energy: -681.076 where: short stacking energy: -306.690 Base-Backbone interact. energy: -1.372 local terms energy: -303.032110 where: bonds (distance) C4'-P energy: -56.578 bonds (distance) P-C4' energy: -60.732 flat angles C4'-P-C4' energy: -64.350 flat angles P-C4'-P energy: -34.797 tors. eta vs tors. theta energy: -86.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -964.144317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.144317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.144317 (E_RNA) where: Base-Base interactions energy: -662.260 where: short stacking energy: -278.787 Base-Backbone interact. energy: -1.227 local terms energy: -300.657435 where: bonds (distance) C4'-P energy: -66.686 bonds (distance) P-C4' energy: -45.936 flat angles C4'-P-C4' energy: -63.774 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: -80.980 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: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -818.870123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.870123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.870123 (E_RNA) where: Base-Base interactions energy: -570.695 where: short stacking energy: -257.171 Base-Backbone interact. energy: -0.707 local terms energy: -247.467960 where: bonds (distance) C4'-P energy: -53.958 bonds (distance) P-C4' energy: -49.386 flat angles C4'-P-C4' energy: -50.006 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -57.528 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: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -632.547224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.547224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.547224 (E_RNA) where: Base-Base interactions energy: -373.647 where: short stacking energy: -164.448 Base-Backbone interact. energy: 0.076 local terms energy: -258.975848 where: bonds (distance) C4'-P energy: -55.780 bonds (distance) P-C4' energy: -62.802 flat angles C4'-P-C4' energy: -61.253 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: -41.586 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: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -587.238417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.238417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.238417 (E_RNA) where: Base-Base interactions energy: -355.597 where: short stacking energy: -172.161 Base-Backbone interact. energy: -1.343 local terms energy: -230.298243 where: bonds (distance) C4'-P energy: -48.228 bonds (distance) P-C4' energy: -56.968 flat angles C4'-P-C4' energy: -64.950 flat angles P-C4'-P energy: -29.264 tors. eta vs tors. theta energy: -30.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -392.604238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.604238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.604238 (E_RNA) where: Base-Base interactions energy: -181.618 where: short stacking energy: -111.401 Base-Backbone interact. energy: -1.290 local terms energy: -209.696134 where: bonds (distance) C4'-P energy: -61.173 bonds (distance) P-C4' energy: -50.117 flat angles C4'-P-C4' energy: -56.809 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -263.790381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.790381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.790381 (E_RNA) where: Base-Base interactions energy: -106.432 where: short stacking energy: -77.293 Base-Backbone interact. energy: 5.725 local terms energy: -163.083962 where: bonds (distance) C4'-P energy: -47.478 bonds (distance) P-C4' energy: -65.696 flat angles C4'-P-C4' energy: -40.006 flat angles P-C4'-P energy: -27.863 tors. eta vs tors. theta energy: 17.958 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: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1162.029928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.029928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.029928 (E_RNA) where: Base-Base interactions energy: -790.079 where: short stacking energy: -333.356 Base-Backbone interact. energy: -1.528 local terms energy: -370.423089 where: bonds (distance) C4'-P energy: -70.129 bonds (distance) P-C4' energy: -68.400 flat angles C4'-P-C4' energy: -78.848 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -100.360 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: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1122.971414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.971414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.971414 (E_RNA) where: Base-Base interactions energy: -767.490 where: short stacking energy: -335.296 Base-Backbone interact. energy: 1.875 local terms energy: -357.356332 where: bonds (distance) C4'-P energy: -61.488 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -72.541 flat angles P-C4'-P energy: -54.554 tors. eta vs tors. theta energy: -100.659 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: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1028.580708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.580708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.580708 (E_RNA) where: Base-Base interactions energy: -708.458 where: short stacking energy: -297.482 Base-Backbone interact. energy: -1.104 local terms energy: -319.018419 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -58.494 flat angles C4'-P-C4' energy: -71.446 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -82.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1010.932061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.932061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.932061 (E_RNA) where: Base-Base interactions energy: -689.331 where: short stacking energy: -295.347 Base-Backbone interact. energy: -0.725 local terms energy: -320.875754 where: bonds (distance) C4'-P energy: -59.069 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -70.844 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -953.254211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.254211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.254211 (E_RNA) where: Base-Base interactions energy: -661.196 where: short stacking energy: -274.519 Base-Backbone interact. energy: 1.936 local terms energy: -293.994645 where: bonds (distance) C4'-P energy: -52.402 bonds (distance) P-C4' energy: -62.534 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -41.538 tors. eta vs tors. theta energy: -74.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -789.165302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.165302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.165302 (E_RNA) where: Base-Base interactions energy: -523.842 where: short stacking energy: -227.843 Base-Backbone interact. energy: -0.052 local terms energy: -265.270635 where: bonds (distance) C4'-P energy: -53.147 bonds (distance) P-C4' energy: -60.488 flat angles C4'-P-C4' energy: -64.338 flat angles P-C4'-P energy: -33.165 tors. eta vs tors. theta energy: -54.133 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -686.663673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.663673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.663673 (E_RNA) where: Base-Base interactions energy: -425.824 where: short stacking energy: -205.955 Base-Backbone interact. energy: -0.087 local terms energy: -260.753299 where: bonds (distance) C4'-P energy: -61.057 bonds (distance) P-C4' energy: -58.766 flat angles C4'-P-C4' energy: -59.827 flat angles P-C4'-P energy: -31.696 tors. eta vs tors. theta energy: -49.407 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: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -553.807064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.807064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.807064 (E_RNA) where: Base-Base interactions energy: -307.865 where: short stacking energy: -139.721 Base-Backbone interact. energy: 4.091 local terms energy: -250.033532 where: bonds (distance) C4'-P energy: -47.811 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -75.691 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -14.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -381.975065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.975065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.975065 (E_RNA) where: Base-Base interactions energy: -199.670 where: short stacking energy: -105.356 Base-Backbone interact. energy: -0.219 local terms energy: -182.086473 where: bonds (distance) C4'-P energy: -53.563 bonds (distance) P-C4' energy: -49.465 flat angles C4'-P-C4' energy: -53.272 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: 9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -264.785674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.785674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.785674 (E_RNA) where: Base-Base interactions energy: -87.808 where: short stacking energy: -78.047 Base-Backbone interact. energy: 0.250 local terms energy: -177.227370 where: bonds (distance) C4'-P energy: -55.025 bonds (distance) P-C4' energy: -72.902 flat angles C4'-P-C4' energy: -48.332 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: 9.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1143.002329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.002329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.002329 (E_RNA) where: Base-Base interactions energy: -785.616 where: short stacking energy: -345.994 Base-Backbone interact. energy: -2.126 local terms energy: -355.259968 where: bonds (distance) C4'-P energy: -70.062 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -76.867 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -101.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1116.771725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.771725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.771725 (E_RNA) where: Base-Base interactions energy: -748.307 where: short stacking energy: -330.052 Base-Backbone interact. energy: -0.260 local terms energy: -368.205202 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -74.680 flat angles C4'-P-C4' energy: -77.771 flat angles P-C4'-P energy: -49.972 tors. eta vs tors. theta energy: -103.615 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: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1007.978586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.978586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.978586 (E_RNA) where: Base-Base interactions energy: -662.282 where: short stacking energy: -313.801 Base-Backbone interact. energy: -0.438 local terms energy: -345.258699 where: bonds (distance) C4'-P energy: -63.678 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -70.238 flat angles P-C4'-P energy: -42.395 tors. eta vs tors. theta energy: -95.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1013.088568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.088568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.088568 (E_RNA) where: Base-Base interactions energy: -707.393 where: short stacking energy: -288.663 Base-Backbone interact. energy: -0.169 local terms energy: -305.526232 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -65.218 flat angles C4'-P-C4' energy: -66.568 flat angles P-C4'-P energy: -29.086 tors. eta vs tors. theta energy: -85.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -985.043128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.043128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.043128 (E_RNA) where: Base-Base interactions energy: -689.479 where: short stacking energy: -256.978 Base-Backbone interact. energy: 0.072 local terms energy: -295.635739 where: bonds (distance) C4'-P energy: -50.066 bonds (distance) P-C4' energy: -70.784 flat angles C4'-P-C4' energy: -60.900 flat angles P-C4'-P energy: -37.217 tors. eta vs tors. theta energy: -76.669 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: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -790.323271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.323271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.323271 (E_RNA) where: Base-Base interactions energy: -523.110 where: short stacking energy: -228.848 Base-Backbone interact. energy: 1.875 local terms energy: -269.087723 where: bonds (distance) C4'-P energy: -54.561 bonds (distance) P-C4' energy: -62.040 flat angles C4'-P-C4' energy: -62.787 flat angles P-C4'-P energy: -29.863 tors. eta vs tors. theta energy: -59.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -710.195311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.195311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.195311 (E_RNA) where: Base-Base interactions energy: -463.123 where: short stacking energy: -226.862 Base-Backbone interact. energy: 1.561 local terms energy: -248.633904 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -49.235 flat angles C4'-P-C4' energy: -55.739 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -50.601 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: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -593.453383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.453383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.453383 (E_RNA) where: Base-Base interactions energy: -362.722 where: short stacking energy: -185.840 Base-Backbone interact. energy: -1.676 local terms energy: -229.054611 where: bonds (distance) C4'-P energy: -54.323 bonds (distance) P-C4' energy: -54.469 flat angles C4'-P-C4' energy: -47.727 flat angles P-C4'-P energy: -35.613 tors. eta vs tors. theta energy: -36.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -370.733730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.733730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.733730 (E_RNA) where: Base-Base interactions energy: -182.109 where: short stacking energy: -115.034 Base-Backbone interact. energy: 2.984 local terms energy: -191.609510 where: bonds (distance) C4'-P energy: -47.806 bonds (distance) P-C4' energy: -55.777 flat angles C4'-P-C4' energy: -55.008 flat angles P-C4'-P energy: -31.193 tors. eta vs tors. theta energy: -1.825 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: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -270.233009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.233009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.233009 (E_RNA) where: Base-Base interactions energy: -115.863 where: short stacking energy: -73.556 Base-Backbone interact. energy: -0.407 local terms energy: -153.962704 where: bonds (distance) C4'-P energy: -51.780 bonds (distance) P-C4' energy: -52.633 flat angles C4'-P-C4' energy: -42.597 flat angles P-C4'-P energy: -26.560 tors. eta vs tors. theta energy: 19.607 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: 431 Temperature: 0.900000 Total energy: -1136.607841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.607841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.607841 (E_RNA) where: Base-Base interactions energy: -775.150 where: short stacking energy: -347.160 Base-Backbone interact. energy: -1.456 local terms energy: -360.002110 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -71.882 flat angles P-C4'-P energy: -59.866 tors. eta vs tors. theta energy: -104.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1123.028798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.028798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.028798 (E_RNA) where: Base-Base interactions energy: -772.770 where: short stacking energy: -318.114 Base-Backbone interact. energy: -1.146 local terms energy: -349.112859 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -68.686 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -57.377 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: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1015.297863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.297863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.297863 (E_RNA) where: Base-Base interactions energy: -668.132 where: short stacking energy: -290.966 Base-Backbone interact. energy: -1.260 local terms energy: -345.906019 where: bonds (distance) C4'-P energy: -70.184 bonds (distance) P-C4' energy: -61.065 flat angles C4'-P-C4' energy: -75.704 flat angles P-C4'-P energy: -44.697 tors. eta vs tors. theta energy: -94.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1003.126291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.126291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.126291 (E_RNA) where: Base-Base interactions energy: -690.072 where: short stacking energy: -285.574 Base-Backbone interact. energy: -0.714 local terms energy: -312.340278 where: bonds (distance) C4'-P energy: -58.420 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -67.614 flat angles P-C4'-P energy: -46.717 tors. eta vs tors. theta energy: -78.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -968.377105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.377105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.377105 (E_RNA) where: Base-Base interactions energy: -660.189 where: short stacking energy: -272.661 Base-Backbone interact. energy: 3.797 local terms energy: -311.985005 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -55.152 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -50.437 tors. eta vs tors. theta energy: -76.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -809.380696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.380696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.380696 (E_RNA) where: Base-Base interactions energy: -519.842 where: short stacking energy: -228.467 Base-Backbone interact. energy: -1.549 local terms energy: -287.989118 where: bonds (distance) C4'-P energy: -68.942 bonds (distance) P-C4' energy: -64.508 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -48.968 tors. eta vs tors. theta energy: -46.785 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: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -697.745389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.745389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.745389 (E_RNA) where: Base-Base interactions energy: -445.283 where: short stacking energy: -214.555 Base-Backbone interact. energy: 1.460 local terms energy: -253.922135 where: bonds (distance) C4'-P energy: -55.857 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -53.576 flat angles P-C4'-P energy: -32.060 tors. eta vs tors. theta energy: -47.519 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: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -580.730630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.730630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.730630 (E_RNA) where: Base-Base interactions energy: -343.532 where: short stacking energy: -157.713 Base-Backbone interact. energy: -1.758 local terms energy: -235.440938 where: bonds (distance) C4'-P energy: -63.922 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -50.614 flat angles P-C4'-P energy: -44.544 tors. eta vs tors. theta energy: -13.876 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: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -350.175419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.175419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.175419 (E_RNA) where: Base-Base interactions energy: -182.928 where: short stacking energy: -111.896 Base-Backbone interact. energy: 1.778 local terms energy: -169.025319 where: bonds (distance) C4'-P energy: -51.268 bonds (distance) P-C4' energy: -52.125 flat angles C4'-P-C4' energy: -52.694 flat angles P-C4'-P energy: -21.630 tors. eta vs tors. theta energy: 8.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -263.320733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.320733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.320733 (E_RNA) where: Base-Base interactions energy: -104.184 where: short stacking energy: -76.766 Base-Backbone interact. energy: 5.275 local terms energy: -164.412205 where: bonds (distance) C4'-P energy: -56.171 bonds (distance) P-C4' energy: -58.376 flat angles C4'-P-C4' energy: -24.400 flat angles P-C4'-P energy: -34.192 tors. eta vs tors. theta energy: 8.727 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: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1134.721160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.721160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.721160 (E_RNA) where: Base-Base interactions energy: -781.458 where: short stacking energy: -322.048 Base-Backbone interact. energy: -0.517 local terms energy: -352.746032 where: bonds (distance) C4'-P energy: -70.348 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -68.201 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -98.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1127.398915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.398915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.398915 (E_RNA) where: Base-Base interactions energy: -776.156 where: short stacking energy: -337.731 Base-Backbone interact. energy: -1.787 local terms energy: -349.456533 where: bonds (distance) C4'-P energy: -69.766 bonds (distance) P-C4' energy: -70.153 flat angles C4'-P-C4' energy: -65.265 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: -93.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1045.245171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.245171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.245171 (E_RNA) where: Base-Base interactions energy: -711.182 where: short stacking energy: -296.557 Base-Backbone interact. energy: -0.606 local terms energy: -333.457192 where: bonds (distance) C4'-P energy: -57.051 bonds (distance) P-C4' energy: -56.373 flat angles C4'-P-C4' energy: -77.330 flat angles P-C4'-P energy: -53.285 tors. eta vs tors. theta energy: -89.419 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: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -978.675601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.675601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.675601 (E_RNA) where: Base-Base interactions energy: -655.292 where: short stacking energy: -310.076 Base-Backbone interact. energy: -0.599 local terms energy: -322.784681 where: bonds (distance) C4'-P energy: -61.614 bonds (distance) P-C4' energy: -52.388 flat angles C4'-P-C4' energy: -67.590 flat angles P-C4'-P energy: -49.339 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: 5, replica: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -974.121777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.121777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.121777 (E_RNA) where: Base-Base interactions energy: -676.183 where: short stacking energy: -267.560 Base-Backbone interact. energy: 1.312 local terms energy: -299.250693 where: bonds (distance) C4'-P energy: -55.889 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -66.532 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -78.891 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: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -770.386154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.386154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.386154 (E_RNA) where: Base-Base interactions energy: -495.708 where: short stacking energy: -222.979 Base-Backbone interact. energy: -2.014 local terms energy: -272.664267 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -54.824 flat angles C4'-P-C4' energy: -59.037 flat angles P-C4'-P energy: -34.572 tors. eta vs tors. theta energy: -61.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -709.154900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.154900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.154900 (E_RNA) where: Base-Base interactions energy: -443.197 where: short stacking energy: -219.712 Base-Backbone interact. energy: -0.948 local terms energy: -265.009826 where: bonds (distance) C4'-P energy: -49.848 bonds (distance) P-C4' energy: -62.271 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -39.750 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: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -496.883359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.883359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.883359 (E_RNA) where: Base-Base interactions energy: -288.360 where: short stacking energy: -143.734 Base-Backbone interact. energy: -0.784 local terms energy: -207.738885 where: bonds (distance) C4'-P energy: -55.141 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -55.176 flat angles P-C4'-P energy: -18.140 tors. eta vs tors. theta energy: -24.265 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: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -376.976962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.976962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.976962 (E_RNA) where: Base-Base interactions energy: -178.095 where: short stacking energy: -113.233 Base-Backbone interact. energy: 0.059 local terms energy: -198.940748 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -55.859 flat angles C4'-P-C4' energy: -57.391 flat angles P-C4'-P energy: -32.012 tors. eta vs tors. theta energy: 5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -265.417535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.417535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.417535 (E_RNA) where: Base-Base interactions energy: -107.138 where: short stacking energy: -83.120 Base-Backbone interact. energy: 8.379 local terms energy: -166.658413 where: bonds (distance) C4'-P energy: -49.737 bonds (distance) P-C4' energy: -48.444 flat angles C4'-P-C4' energy: -41.655 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: 9.292 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: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1132.766868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.766868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.766868 (E_RNA) where: Base-Base interactions energy: -779.290 where: short stacking energy: -332.345 Base-Backbone interact. energy: -0.731 local terms energy: -352.745273 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -71.529 flat angles C4'-P-C4' energy: -70.589 flat angles P-C4'-P energy: -52.169 tors. eta vs tors. theta energy: -94.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1118.139684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.139684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.139684 (E_RNA) where: Base-Base interactions energy: -757.343 where: short stacking energy: -339.860 Base-Backbone interact. energy: -0.549 local terms energy: -360.248124 where: bonds (distance) C4'-P energy: -73.739 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -78.136 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -100.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1047.421775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.421775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.421775 (E_RNA) where: Base-Base interactions energy: -714.573 where: short stacking energy: -298.456 Base-Backbone interact. energy: 0.476 local terms energy: -333.324748 where: bonds (distance) C4'-P energy: -59.181 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -75.566 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -87.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1024.803318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.803318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.803318 (E_RNA) where: Base-Base interactions energy: -705.577 where: short stacking energy: -290.495 Base-Backbone interact. energy: -1.434 local terms energy: -317.792737 where: bonds (distance) C4'-P energy: -62.117 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -64.323 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -916.883996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.883996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.883996 (E_RNA) where: Base-Base interactions energy: -624.291 where: short stacking energy: -277.217 Base-Backbone interact. energy: 2.795 local terms energy: -295.387160 where: bonds (distance) C4'-P energy: -49.173 bonds (distance) P-C4' energy: -62.802 flat angles C4'-P-C4' energy: -66.099 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -80.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -795.593908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.593908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.593908 (E_RNA) where: Base-Base interactions energy: -516.491 where: short stacking energy: -215.657 Base-Backbone interact. energy: 0.105 local terms energy: -279.208711 where: bonds (distance) C4'-P energy: -56.789 bonds (distance) P-C4' energy: -66.904 flat angles C4'-P-C4' energy: -65.054 flat angles P-C4'-P energy: -35.139 tors. eta vs tors. theta energy: -55.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -692.038448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.038448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.038448 (E_RNA) where: Base-Base interactions energy: -442.814 where: short stacking energy: -209.430 Base-Backbone interact. energy: 1.686 local terms energy: -250.910773 where: bonds (distance) C4'-P energy: -48.865 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -55.040 flat angles P-C4'-P energy: -39.192 tors. eta vs tors. theta energy: -44.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -524.452174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.452174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.452174 (E_RNA) where: Base-Base interactions energy: -316.406 where: short stacking energy: -147.382 Base-Backbone interact. energy: 3.214 local terms energy: -211.260286 where: bonds (distance) C4'-P energy: -62.017 bonds (distance) P-C4' energy: -60.155 flat angles C4'-P-C4' energy: -40.259 flat angles P-C4'-P energy: -34.687 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -352.979812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.979812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.979812 (E_RNA) where: Base-Base interactions energy: -153.172 where: short stacking energy: -103.459 Base-Backbone interact. energy: 0.648 local terms energy: -200.455602 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -47.625 flat angles P-C4'-P energy: -26.011 tors. eta vs tors. theta energy: 1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -263.647188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.647188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.647188 (E_RNA) where: Base-Base interactions energy: -94.446 where: short stacking energy: -78.446 Base-Backbone interact. energy: -0.628 local terms energy: -168.572756 where: bonds (distance) C4'-P energy: -48.298 bonds (distance) P-C4' energy: -53.624 flat angles C4'-P-C4' energy: -47.402 flat angles P-C4'-P energy: -25.605 tors. eta vs tors. theta energy: 6.356 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: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1129.360919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.360919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.360919 (E_RNA) where: Base-Base interactions energy: -766.690 where: short stacking energy: -338.925 Base-Backbone interact. energy: -0.147 local terms energy: -362.524073 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -61.993 flat angles C4'-P-C4' energy: -69.085 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -101.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1102.154943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.154943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.154943 (E_RNA) where: Base-Base interactions energy: -745.515 where: short stacking energy: -338.877 Base-Backbone interact. energy: -2.114 local terms energy: -354.525676 where: bonds (distance) C4'-P energy: -56.291 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -79.965 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -102.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1040.478157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.478157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.478157 (E_RNA) where: Base-Base interactions energy: -705.628 where: short stacking energy: -295.017 Base-Backbone interact. energy: -0.411 local terms energy: -334.438434 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -75.676 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -87.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1005.743319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.743319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.743319 (E_RNA) where: Base-Base interactions energy: -688.027 where: short stacking energy: -308.238 Base-Backbone interact. energy: -0.140 local terms energy: -317.575582 where: bonds (distance) C4'-P energy: -60.328 bonds (distance) P-C4' energy: -61.822 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -91.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -936.937693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.937693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.937693 (E_RNA) where: Base-Base interactions energy: -658.075 where: short stacking energy: -287.657 Base-Backbone interact. energy: -0.747 local terms energy: -278.115337 where: bonds (distance) C4'-P energy: -41.747 bonds (distance) P-C4' energy: -56.244 flat angles C4'-P-C4' energy: -65.043 flat angles P-C4'-P energy: -32.264 tors. eta vs tors. theta energy: -82.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -826.178301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.178301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.178301 (E_RNA) where: Base-Base interactions energy: -544.859 where: short stacking energy: -244.635 Base-Backbone interact. energy: -1.363 local terms energy: -279.955831 where: bonds (distance) C4'-P energy: -49.497 bonds (distance) P-C4' energy: -61.895 flat angles C4'-P-C4' energy: -65.555 flat angles P-C4'-P energy: -47.473 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: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -689.112349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.112349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.112349 (E_RNA) where: Base-Base interactions energy: -440.920 where: short stacking energy: -191.560 Base-Backbone interact. energy: -2.030 local terms energy: -246.162637 where: bonds (distance) C4'-P energy: -53.927 bonds (distance) P-C4' energy: -52.234 flat angles C4'-P-C4' energy: -58.185 flat angles P-C4'-P energy: -42.256 tors. eta vs tors. theta energy: -39.560 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: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -524.760393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.760393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.760393 (E_RNA) where: Base-Base interactions energy: -295.768 where: short stacking energy: -140.940 Base-Backbone interact. energy: 0.564 local terms energy: -229.555864 where: bonds (distance) C4'-P energy: -48.016 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -58.919 flat angles P-C4'-P energy: -38.864 tors. eta vs tors. theta energy: -23.114 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: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -378.245535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.245535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.245535 (E_RNA) where: Base-Base interactions energy: -186.978 where: short stacking energy: -117.617 Base-Backbone interact. energy: -1.052 local terms energy: -190.215197 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -55.519 flat angles C4'-P-C4' energy: -39.721 flat angles P-C4'-P energy: -28.710 tors. eta vs tors. theta energy: -11.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -286.415026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.415026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.415026 (E_RNA) where: Base-Base interactions energy: -104.311 where: short stacking energy: -80.047 Base-Backbone interact. energy: -0.447 local terms energy: -181.657146 where: bonds (distance) C4'-P energy: -58.641 bonds (distance) P-C4' energy: -57.392 flat angles C4'-P-C4' energy: -43.697 flat angles P-C4'-P energy: -26.555 tors. eta vs tors. theta energy: 4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1139.099155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.099155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.099155 (E_RNA) where: Base-Base interactions energy: -776.281 where: short stacking energy: -341.627 Base-Backbone interact. energy: -3.259 local terms energy: -359.559484 where: bonds (distance) C4'-P energy: -61.662 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -70.558 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -105.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1102.723067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.723067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.723067 (E_RNA) where: Base-Base interactions energy: -754.608 where: short stacking energy: -333.811 Base-Backbone interact. energy: -2.119 local terms energy: -345.995560 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -48.772 tors. eta vs tors. theta energy: -93.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1038.160677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.160677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.160677 (E_RNA) where: Base-Base interactions energy: -732.855 where: short stacking energy: -302.029 Base-Backbone interact. energy: -1.653 local terms energy: -303.652961 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -71.948 flat angles P-C4'-P energy: -35.927 tors. eta vs tors. theta energy: -77.018 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -999.702324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.702324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.702324 (E_RNA) where: Base-Base interactions energy: -677.631 where: short stacking energy: -284.291 Base-Backbone interact. energy: -1.005 local terms energy: -321.066353 where: bonds (distance) C4'-P energy: -58.409 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -87.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -965.130570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.130570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.130570 (E_RNA) where: Base-Base interactions energy: -663.348 where: short stacking energy: -298.900 Base-Backbone interact. energy: -0.451 local terms energy: -301.331392 where: bonds (distance) C4'-P energy: -52.169 bonds (distance) P-C4' energy: -55.663 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -28.250 tors. eta vs tors. theta energy: -95.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -772.929647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.929647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.929647 (E_RNA) where: Base-Base interactions energy: -514.551 where: short stacking energy: -215.779 Base-Backbone interact. energy: 0.783 local terms energy: -259.161016 where: bonds (distance) C4'-P energy: -46.733 bonds (distance) P-C4' energy: -55.357 flat angles C4'-P-C4' energy: -54.093 flat angles P-C4'-P energy: -47.198 tors. eta vs tors. theta energy: -55.779 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: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -736.607442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.607442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.607442 (E_RNA) where: Base-Base interactions energy: -486.435 where: short stacking energy: -207.584 Base-Backbone interact. energy: 4.481 local terms energy: -254.653201 where: bonds (distance) C4'-P energy: -46.821 bonds (distance) P-C4' energy: -60.768 flat angles C4'-P-C4' energy: -51.779 flat angles P-C4'-P energy: -44.549 tors. eta vs tors. theta energy: -50.736 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: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -528.318836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.318836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.318836 (E_RNA) where: Base-Base interactions energy: -305.013 where: short stacking energy: -140.538 Base-Backbone interact. energy: -2.036 local terms energy: -221.270459 where: bonds (distance) C4'-P energy: -54.552 bonds (distance) P-C4' energy: -62.071 flat angles C4'-P-C4' energy: -62.594 flat angles P-C4'-P energy: -38.574 tors. eta vs tors. theta energy: -3.479 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: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -365.875228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.875228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.875228 (E_RNA) where: Base-Base interactions energy: -170.821 where: short stacking energy: -113.889 Base-Backbone interact. energy: 2.084 local terms energy: -197.138213 where: bonds (distance) C4'-P energy: -48.234 bonds (distance) P-C4' energy: -60.604 flat angles C4'-P-C4' energy: -50.502 flat angles P-C4'-P energy: -25.883 tors. eta vs tors. theta energy: -11.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -271.459361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.459361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.459361 (E_RNA) where: Base-Base interactions energy: -101.108 where: short stacking energy: -73.817 Base-Backbone interact. energy: -1.478 local terms energy: -168.873704 where: bonds (distance) C4'-P energy: -50.223 bonds (distance) P-C4' energy: -53.600 flat angles C4'-P-C4' energy: -52.241 flat angles P-C4'-P energy: -23.344 tors. eta vs tors. theta energy: 10.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1127.796446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.796446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.796446 (E_RNA) where: Base-Base interactions energy: -762.087 where: short stacking energy: -331.444 Base-Backbone interact. energy: -0.354 local terms energy: -365.356026 where: bonds (distance) C4'-P energy: -70.365 bonds (distance) P-C4' energy: -65.734 flat angles C4'-P-C4' energy: -73.777 flat angles P-C4'-P energy: -53.700 tors. eta vs tors. theta energy: -101.780 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: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1090.023030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.023030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.023030 (E_RNA) where: Base-Base interactions energy: -747.164 where: short stacking energy: -318.420 Base-Backbone interact. energy: 0.802 local terms energy: -343.660887 where: bonds (distance) C4'-P energy: -65.607 bonds (distance) P-C4' energy: -58.954 flat angles C4'-P-C4' energy: -72.542 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -95.268 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: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1033.502116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.502116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.502116 (E_RNA) where: Base-Base interactions energy: -709.715 where: short stacking energy: -291.907 Base-Backbone interact. energy: 0.519 local terms energy: -324.305967 where: bonds (distance) C4'-P energy: -56.452 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -74.407 flat angles P-C4'-P energy: -44.832 tors. eta vs tors. theta energy: -83.371 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: 436 Temperature: 1.050000 Total energy: -1013.756300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.756300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.756300 (E_RNA) where: Base-Base interactions energy: -688.494 where: short stacking energy: -308.052 Base-Backbone interact. energy: -0.512 local terms energy: -324.749839 where: bonds (distance) C4'-P energy: -62.657 bonds (distance) P-C4' energy: -55.116 flat angles C4'-P-C4' energy: -75.377 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -87.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -933.318388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.318388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.318388 (E_RNA) where: Base-Base interactions energy: -607.035 where: short stacking energy: -265.837 Base-Backbone interact. energy: 1.712 local terms energy: -327.995702 where: bonds (distance) C4'-P energy: -54.516 bonds (distance) P-C4' energy: -68.802 flat angles C4'-P-C4' energy: -60.223 flat angles P-C4'-P energy: -51.776 tors. eta vs tors. theta energy: -92.679 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: 6, replica: 3 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -718.793011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.793011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.793011 (E_RNA) where: Base-Base interactions energy: -459.729 where: short stacking energy: -213.797 Base-Backbone interact. energy: -2.448 local terms energy: -256.615701 where: bonds (distance) C4'-P energy: -55.317 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -54.141 flat angles P-C4'-P energy: -39.995 tors. eta vs tors. theta energy: -45.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -724.156197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.156197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.156197 (E_RNA) where: Base-Base interactions energy: -454.588 where: short stacking energy: -236.124 Base-Backbone interact. energy: 1.419 local terms energy: -270.986728 where: bonds (distance) C4'-P energy: -50.074 bonds (distance) P-C4' energy: -53.600 flat angles C4'-P-C4' energy: -64.289 flat angles P-C4'-P energy: -43.292 tors. eta vs tors. theta energy: -59.730 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: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -551.779585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.779585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.779585 (E_RNA) where: Base-Base interactions energy: -330.162 where: short stacking energy: -137.436 Base-Backbone interact. energy: -0.958 local terms energy: -220.659546 where: bonds (distance) C4'-P energy: -57.704 bonds (distance) P-C4' energy: -58.056 flat angles C4'-P-C4' energy: -49.611 flat angles P-C4'-P energy: -35.514 tors. eta vs tors. theta energy: -19.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -385.076942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.076942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.076942 (E_RNA) where: Base-Base interactions energy: -210.893 where: short stacking energy: -126.389 Base-Backbone interact. energy: 0.620 local terms energy: -174.804833 where: bonds (distance) C4'-P energy: -36.874 bonds (distance) P-C4' energy: -50.882 flat angles C4'-P-C4' energy: -41.241 flat angles P-C4'-P energy: -30.569 tors. eta vs tors. theta energy: -15.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -293.195936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.195936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.195936 (E_RNA) where: Base-Base interactions energy: -115.405 where: short stacking energy: -68.895 Base-Backbone interact. energy: -0.995 local terms energy: -176.795952 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -54.896 flat angles C4'-P-C4' energy: -38.515 flat angles P-C4'-P energy: -31.091 tors. eta vs tors. theta energy: 3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1115.580384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.580384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.580384 (E_RNA) where: Base-Base interactions energy: -775.215 where: short stacking energy: -321.741 Base-Backbone interact. energy: -1.113 local terms energy: -339.251884 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -54.892 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -43.843 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: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1122.050903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.050903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.050903 (E_RNA) where: Base-Base interactions energy: -775.312 where: short stacking energy: -328.410 Base-Backbone interact. energy: -1.265 local terms energy: -345.473983 where: bonds (distance) C4'-P energy: -58.428 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -44.015 tors. eta vs tors. theta energy: -98.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1016.101251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.101251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.101251 (E_RNA) where: Base-Base interactions energy: -686.784 where: short stacking energy: -288.657 Base-Backbone interact. energy: -2.098 local terms energy: -327.219276 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -71.518 flat angles P-C4'-P energy: -44.710 tors. eta vs tors. theta energy: -82.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -983.413324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.413324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.413324 (E_RNA) where: Base-Base interactions energy: -677.173 where: short stacking energy: -283.092 Base-Backbone interact. energy: -1.145 local terms energy: -305.095126 where: bonds (distance) C4'-P energy: -57.737 bonds (distance) P-C4' energy: -45.639 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: -79.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -895.218338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.218338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.218338 (E_RNA) where: Base-Base interactions energy: -595.976 where: short stacking energy: -298.928 Base-Backbone interact. energy: -0.631 local terms energy: -298.611193 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -62.853 flat angles P-C4'-P energy: -34.285 tors. eta vs tors. theta energy: -88.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -711.385718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.385718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.385718 (E_RNA) where: Base-Base interactions energy: -450.383 where: short stacking energy: -225.699 Base-Backbone interact. energy: 2.368 local terms energy: -263.370957 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -59.557 flat angles C4'-P-C4' energy: -57.254 flat angles P-C4'-P energy: -29.661 tors. eta vs tors. theta energy: -63.407 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: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -755.174954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.174954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.174954 (E_RNA) where: Base-Base interactions energy: -481.439 where: short stacking energy: -215.215 Base-Backbone interact. energy: -0.749 local terms energy: -272.987174 where: bonds (distance) C4'-P energy: -57.415 bonds (distance) P-C4' energy: -61.896 flat angles C4'-P-C4' energy: -59.656 flat angles P-C4'-P energy: -40.534 tors. eta vs tors. theta energy: -53.486 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: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -556.824260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.824260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.824260 (E_RNA) where: Base-Base interactions energy: -307.004 where: short stacking energy: -161.740 Base-Backbone interact. energy: -1.959 local terms energy: -247.861089 where: bonds (distance) C4'-P energy: -61.783 bonds (distance) P-C4' energy: -67.679 flat angles C4'-P-C4' energy: -51.761 flat angles P-C4'-P energy: -37.190 tors. eta vs tors. theta energy: -29.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -368.955978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.955978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.955978 (E_RNA) where: Base-Base interactions energy: -182.082 where: short stacking energy: -108.843 Base-Backbone interact. energy: -2.550 local terms energy: -184.324328 where: bonds (distance) C4'-P energy: -50.128 bonds (distance) P-C4' energy: -46.670 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -29.445 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -284.265105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.265105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.265105 (E_RNA) where: Base-Base interactions energy: -88.041 where: short stacking energy: -60.492 Base-Backbone interact. energy: -2.578 local terms energy: -193.646314 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -62.242 flat angles C4'-P-C4' energy: -46.728 flat angles P-C4'-P energy: -32.243 tors. eta vs tors. theta energy: 3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1123.077069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.077069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.077069 (E_RNA) where: Base-Base interactions energy: -762.155 where: short stacking energy: -343.280 Base-Backbone interact. energy: -0.148 local terms energy: -360.773410 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -70.432 flat angles C4'-P-C4' energy: -70.272 flat angles P-C4'-P energy: -53.298 tors. eta vs tors. theta energy: -99.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1120.630633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.630633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.630633 (E_RNA) where: Base-Base interactions energy: -772.288 where: short stacking energy: -330.131 Base-Backbone interact. energy: -0.771 local terms energy: -347.571786 where: bonds (distance) C4'-P energy: -67.588 bonds (distance) P-C4' energy: -62.538 flat angles C4'-P-C4' energy: -76.542 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -96.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1024.020536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.020536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.020536 (E_RNA) where: Base-Base interactions energy: -686.377 where: short stacking energy: -282.131 Base-Backbone interact. energy: -2.997 local terms energy: -334.646790 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -70.541 flat angles C4'-P-C4' energy: -62.316 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -85.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -983.548371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.548371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.548371 (E_RNA) where: Base-Base interactions energy: -670.038 where: short stacking energy: -273.853 Base-Backbone interact. energy: -0.913 local terms energy: -312.597027 where: bonds (distance) C4'-P energy: -64.034 bonds (distance) P-C4' energy: -69.836 flat angles C4'-P-C4' energy: -57.746 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -73.944 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -894.806351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.806351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.806351 (E_RNA) where: Base-Base interactions energy: -577.662 where: short stacking energy: -261.572 Base-Backbone interact. energy: -0.880 local terms energy: -316.264017 where: bonds (distance) C4'-P energy: -64.684 bonds (distance) P-C4' energy: -69.456 flat angles C4'-P-C4' energy: -61.561 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -76.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -760.053531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.053531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.053531 (E_RNA) where: Base-Base interactions energy: -484.552 where: short stacking energy: -218.712 Base-Backbone interact. energy: -0.737 local terms energy: -274.763633 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -59.940 flat angles C4'-P-C4' energy: -71.005 flat angles P-C4'-P energy: -35.486 tors. eta vs tors. theta energy: -56.047 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: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -736.200346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.200346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.200346 (E_RNA) where: Base-Base interactions energy: -490.681 where: short stacking energy: -234.134 Base-Backbone interact. energy: -1.082 local terms energy: -244.437598 where: bonds (distance) C4'-P energy: -39.399 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -56.270 flat angles P-C4'-P energy: -36.055 tors. eta vs tors. theta energy: -52.856 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: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -545.953912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.953912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.953912 (E_RNA) where: Base-Base interactions energy: -316.096 where: short stacking energy: -151.937 Base-Backbone interact. energy: -0.470 local terms energy: -229.387985 where: bonds (distance) C4'-P energy: -45.823 bonds (distance) P-C4' energy: -58.182 flat angles C4'-P-C4' energy: -61.119 flat angles P-C4'-P energy: -40.379 tors. eta vs tors. theta energy: -23.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -377.276634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.276634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.276634 (E_RNA) where: Base-Base interactions energy: -205.095 where: short stacking energy: -114.561 Base-Backbone interact. energy: 0.981 local terms energy: -173.162266 where: bonds (distance) C4'-P energy: -50.080 bonds (distance) P-C4' energy: -53.715 flat angles C4'-P-C4' energy: -50.519 flat angles P-C4'-P energy: -25.324 tors. eta vs tors. theta energy: 6.475 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: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -274.014717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.014717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.014717 (E_RNA) where: Base-Base interactions energy: -80.821 where: short stacking energy: -75.824 Base-Backbone interact. energy: 0.209 local terms energy: -193.402864 where: bonds (distance) C4'-P energy: -46.475 bonds (distance) P-C4' energy: -58.674 flat angles C4'-P-C4' energy: -56.961 flat angles P-C4'-P energy: -29.384 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1143.390527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.390527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.390527 (E_RNA) where: Base-Base interactions energy: -788.006 where: short stacking energy: -336.833 Base-Backbone interact. energy: -2.480 local terms energy: -352.904527 where: bonds (distance) C4'-P energy: -63.491 bonds (distance) P-C4' energy: -65.240 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -96.095 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: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1095.993467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.993467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.993467 (E_RNA) where: Base-Base interactions energy: -743.608 where: short stacking energy: -299.786 Base-Backbone interact. energy: 1.512 local terms energy: -353.897282 where: bonds (distance) C4'-P energy: -68.759 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -68.188 flat angles P-C4'-P energy: -55.297 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1010.274110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.274110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.274110 (E_RNA) where: Base-Base interactions energy: -704.250 where: short stacking energy: -279.984 Base-Backbone interact. energy: -3.270 local terms energy: -302.753537 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -56.983 flat angles C4'-P-C4' energy: -66.880 flat angles P-C4'-P energy: -30.895 tors. eta vs tors. theta energy: -83.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -977.179245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.179245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.179245 (E_RNA) where: Base-Base interactions energy: -656.900 where: short stacking energy: -272.434 Base-Backbone interact. energy: -1.349 local terms energy: -318.930775 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -79.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -895.742804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.742804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.742804 (E_RNA) where: Base-Base interactions energy: -600.030 where: short stacking energy: -276.860 Base-Backbone interact. energy: 1.737 local terms energy: -297.449373 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -55.620 flat angles C4'-P-C4' energy: -60.530 flat angles P-C4'-P energy: -45.375 tors. eta vs tors. theta energy: -70.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -767.753734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.753734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.753734 (E_RNA) where: Base-Base interactions energy: -517.824 where: short stacking energy: -228.467 Base-Backbone interact. energy: 0.166 local terms energy: -250.095854 where: bonds (distance) C4'-P energy: -50.345 bonds (distance) P-C4' energy: -63.764 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -29.232 tors. eta vs tors. theta energy: -47.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -748.029110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.029110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.029110 (E_RNA) where: Base-Base interactions energy: -477.392 where: short stacking energy: -212.616 Base-Backbone interact. energy: -0.341 local terms energy: -270.295939 where: bonds (distance) C4'-P energy: -57.613 bonds (distance) P-C4' energy: -65.337 flat angles C4'-P-C4' energy: -59.328 flat angles P-C4'-P energy: -32.328 tors. eta vs tors. theta energy: -55.689 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: 439 Temperature: 1.250000 Total energy: -495.134573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.134573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.134573 (E_RNA) where: Base-Base interactions energy: -276.737 where: short stacking energy: -136.102 Base-Backbone interact. energy: -1.523 local terms energy: -216.874534 where: bonds (distance) C4'-P energy: -49.949 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -31.692 flat angles P-C4'-P energy: -43.384 tors. eta vs tors. theta energy: -24.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -413.968211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.968211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.968211 (E_RNA) where: Base-Base interactions energy: -221.004 where: short stacking energy: -112.789 Base-Backbone interact. energy: 0.629 local terms energy: -193.593053 where: bonds (distance) C4'-P energy: -59.070 bonds (distance) P-C4' energy: -60.051 flat angles C4'-P-C4' energy: -42.819 flat angles P-C4'-P energy: -29.529 tors. eta vs tors. theta energy: -2.123 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: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -333.843699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.843699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.843699 (E_RNA) where: Base-Base interactions energy: -145.773 where: short stacking energy: -104.730 Base-Backbone interact. energy: 0.351 local terms energy: -188.421903 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -54.951 flat angles C4'-P-C4' energy: -65.590 flat angles P-C4'-P energy: -19.305 tors. eta vs tors. theta energy: 3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1148.834835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.834835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.834835 (E_RNA) where: Base-Base interactions energy: -771.600 where: short stacking energy: -333.266 Base-Backbone interact. energy: -1.875 local terms energy: -375.360178 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -79.663 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -103.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1124.371575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.371575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.371575 (E_RNA) where: Base-Base interactions energy: -789.344 where: short stacking energy: -322.556 Base-Backbone interact. energy: -1.336 local terms energy: -333.691744 where: bonds (distance) C4'-P energy: -50.054 bonds (distance) P-C4' energy: -67.371 flat angles C4'-P-C4' energy: -75.518 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -95.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1020.300524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.300524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.300524 (E_RNA) where: Base-Base interactions energy: -689.311 where: short stacking energy: -301.583 Base-Backbone interact. energy: 1.592 local terms energy: -332.581393 where: bonds (distance) C4'-P energy: -58.567 bonds (distance) P-C4' energy: -72.094 flat angles C4'-P-C4' energy: -78.299 flat angles P-C4'-P energy: -37.801 tors. eta vs tors. theta energy: -85.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1005.382225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.382225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.382225 (E_RNA) where: Base-Base interactions energy: -685.475 where: short stacking energy: -271.004 Base-Backbone interact. energy: 0.055 local terms energy: -319.961972 where: bonds (distance) C4'-P energy: -52.508 bonds (distance) P-C4' energy: -65.260 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: -82.945 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: 440 Temperature: 1.100000 Total energy: -937.734702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.734702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.734702 (E_RNA) where: Base-Base interactions energy: -616.992 where: short stacking energy: -272.618 Base-Backbone interact. energy: -0.544 local terms energy: -320.199471 where: bonds (distance) C4'-P energy: -64.625 bonds (distance) P-C4' energy: -65.280 flat angles C4'-P-C4' energy: -64.733 flat angles P-C4'-P energy: -43.644 tors. eta vs tors. theta energy: -81.916 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: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -780.079391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.079391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.079391 (E_RNA) where: Base-Base interactions energy: -547.652 where: short stacking energy: -244.954 Base-Backbone interact. energy: -0.383 local terms energy: -232.043784 where: bonds (distance) C4'-P energy: -40.991 bonds (distance) P-C4' energy: -52.735 flat angles C4'-P-C4' energy: -57.181 flat angles P-C4'-P energy: -26.439 tors. eta vs tors. theta energy: -54.698 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: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -700.676450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.676450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.676450 (E_RNA) where: Base-Base interactions energy: -434.388 where: short stacking energy: -209.459 Base-Backbone interact. energy: -0.592 local terms energy: -265.696229 where: bonds (distance) C4'-P energy: -51.030 bonds (distance) P-C4' energy: -53.055 flat angles C4'-P-C4' energy: -63.198 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -50.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -512.709213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.709213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.709213 (E_RNA) where: Base-Base interactions energy: -303.748 where: short stacking energy: -132.036 Base-Backbone interact. energy: 2.076 local terms energy: -211.037617 where: bonds (distance) C4'-P energy: -36.686 bonds (distance) P-C4' energy: -57.822 flat angles C4'-P-C4' energy: -63.357 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -9.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -358.947458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.947458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.947458 (E_RNA) where: Base-Base interactions energy: -179.358 where: short stacking energy: -117.714 Base-Backbone interact. energy: 0.300 local terms energy: -179.888779 where: bonds (distance) C4'-P energy: -56.037 bonds (distance) P-C4' energy: -66.108 flat angles C4'-P-C4' energy: -43.249 flat angles P-C4'-P energy: -16.464 tors. eta vs tors. theta energy: 1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -370.020111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.020111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.020111 (E_RNA) where: Base-Base interactions energy: -178.162 where: short stacking energy: -100.599 Base-Backbone interact. energy: -0.884 local terms energy: -190.974484 where: bonds (distance) C4'-P energy: -43.768 bonds (distance) P-C4' energy: -59.449 flat angles C4'-P-C4' energy: -55.494 flat angles P-C4'-P energy: -31.222 tors. eta vs tors. theta energy: -1.040 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: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1133.401545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.401545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.401545 (E_RNA) where: Base-Base interactions energy: -776.683 where: short stacking energy: -342.084 Base-Backbone interact. energy: -1.767 local terms energy: -354.950737 where: bonds (distance) C4'-P energy: -61.160 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -101.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1113.597061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.597061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.597061 (E_RNA) where: Base-Base interactions energy: -769.962 where: short stacking energy: -323.431 Base-Backbone interact. energy: -1.269 local terms energy: -342.366178 where: bonds (distance) C4'-P energy: -60.702 bonds (distance) P-C4' energy: -63.101 flat angles C4'-P-C4' energy: -73.013 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: -95.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1030.404240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.404240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.404240 (E_RNA) where: Base-Base interactions energy: -699.864 where: short stacking energy: -297.118 Base-Backbone interact. energy: 0.168 local terms energy: -330.708096 where: bonds (distance) C4'-P energy: -62.624 bonds (distance) P-C4' energy: -62.208 flat angles C4'-P-C4' energy: -75.008 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -82.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1013.426289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.426289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.426289 (E_RNA) where: Base-Base interactions energy: -679.534 where: short stacking energy: -278.690 Base-Backbone interact. energy: 1.175 local terms energy: -335.066856 where: bonds (distance) C4'-P energy: -67.347 bonds (distance) P-C4' energy: -68.141 flat angles C4'-P-C4' energy: -67.809 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -85.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -930.637986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.637986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.637986 (E_RNA) where: Base-Base interactions energy: -619.937 where: short stacking energy: -276.750 Base-Backbone interact. energy: -1.673 local terms energy: -309.028049 where: bonds (distance) C4'-P energy: -41.180 bonds (distance) P-C4' energy: -68.352 flat angles C4'-P-C4' energy: -75.196 flat angles P-C4'-P energy: -39.347 tors. eta vs tors. theta energy: -84.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -776.675138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.675138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.675138 (E_RNA) where: Base-Base interactions energy: -507.980 where: short stacking energy: -207.465 Base-Backbone interact. energy: -2.006 local terms energy: -266.688666 where: bonds (distance) C4'-P energy: -57.973 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -63.253 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -46.797 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -686.607309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.607309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.607309 (E_RNA) where: Base-Base interactions energy: -444.873 where: short stacking energy: -211.082 Base-Backbone interact. energy: -1.848 local terms energy: -239.886476 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -38.490 flat angles C4'-P-C4' energy: -55.983 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -50.353 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -542.516391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.516391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.516391 (E_RNA) where: Base-Base interactions energy: -318.649 where: short stacking energy: -157.705 Base-Backbone interact. energy: -1.487 local terms energy: -222.380204 where: bonds (distance) C4'-P energy: -48.736 bonds (distance) P-C4' energy: -52.409 flat angles C4'-P-C4' energy: -59.194 flat angles P-C4'-P energy: -37.750 tors. eta vs tors. theta energy: -24.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -351.408439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.408439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.408439 (E_RNA) where: Base-Base interactions energy: -166.616 where: short stacking energy: -80.799 Base-Backbone interact. energy: 0.703 local terms energy: -185.495800 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -62.216 flat angles C4'-P-C4' energy: -41.425 flat angles P-C4'-P energy: -26.246 tors. eta vs tors. theta energy: 4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -321.095095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.095095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.095095 (E_RNA) where: Base-Base interactions energy: -160.121 where: short stacking energy: -97.799 Base-Backbone interact. energy: -2.235 local terms energy: -158.739086 where: bonds (distance) C4'-P energy: -44.888 bonds (distance) P-C4' energy: -57.508 flat angles C4'-P-C4' energy: -45.311 flat angles P-C4'-P energy: -20.610 tors. eta vs tors. theta energy: 9.578 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: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1128.283248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.283248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.283248 (E_RNA) where: Base-Base interactions energy: -773.367 where: short stacking energy: -327.763 Base-Backbone interact. energy: 1.507 local terms energy: -356.423108 where: bonds (distance) C4'-P energy: -63.464 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -53.325 tors. eta vs tors. theta energy: -97.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1112.084160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.084160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.084160 (E_RNA) where: Base-Base interactions energy: -776.031 where: short stacking energy: -341.328 Base-Backbone interact. energy: -1.336 local terms energy: -334.717031 where: bonds (distance) C4'-P energy: -54.911 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -73.263 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: -101.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1043.809703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.809703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.809703 (E_RNA) where: Base-Base interactions energy: -722.407 where: short stacking energy: -299.408 Base-Backbone interact. energy: -1.015 local terms energy: -320.387534 where: bonds (distance) C4'-P energy: -65.235 bonds (distance) P-C4' energy: -63.871 flat angles C4'-P-C4' energy: -59.929 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -84.599 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: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1039.177101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.177101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.177101 (E_RNA) where: Base-Base interactions energy: -723.366 where: short stacking energy: -297.711 Base-Backbone interact. energy: 1.685 local terms energy: -317.495342 where: bonds (distance) C4'-P energy: -62.561 bonds (distance) P-C4' energy: -59.849 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -34.439 tors. eta vs tors. theta energy: -93.844 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: 442 Temperature: 1.100000 Total energy: -956.866765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.866765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.866765 (E_RNA) where: Base-Base interactions energy: -647.951 where: short stacking energy: -303.261 Base-Backbone interact. energy: -0.168 local terms energy: -308.747797 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -62.624 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -90.062 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: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -791.829563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.829563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.829563 (E_RNA) where: Base-Base interactions energy: -507.620 where: short stacking energy: -233.869 Base-Backbone interact. energy: -1.147 local terms energy: -283.063098 where: bonds (distance) C4'-P energy: -56.534 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -40.307 tors. eta vs tors. theta energy: -62.137 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -711.838362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.838362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.838362 (E_RNA) where: Base-Base interactions energy: -463.971 where: short stacking energy: -209.622 Base-Backbone interact. energy: -0.781 local terms energy: -247.085992 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -51.523 flat angles C4'-P-C4' energy: -54.068 flat angles P-C4'-P energy: -40.286 tors. eta vs tors. theta energy: -45.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -545.149044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.149044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.149044 (E_RNA) where: Base-Base interactions energy: -323.791 where: short stacking energy: -151.832 Base-Backbone interact. energy: 0.745 local terms energy: -222.103341 where: bonds (distance) C4'-P energy: -60.058 bonds (distance) P-C4' energy: -47.401 flat angles C4'-P-C4' energy: -59.339 flat angles P-C4'-P energy: -29.769 tors. eta vs tors. theta energy: -25.537 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: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -349.348622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.348622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.348622 (E_RNA) where: Base-Base interactions energy: -151.240 where: short stacking energy: -109.298 Base-Backbone interact. energy: 0.422 local terms energy: -198.530361 where: bonds (distance) C4'-P energy: -55.433 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -57.964 flat angles P-C4'-P energy: -27.659 tors. eta vs tors. theta energy: 2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -349.370756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.370756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.370756 (E_RNA) where: Base-Base interactions energy: -163.415 where: short stacking energy: -82.671 Base-Backbone interact. energy: -0.144 local terms energy: -185.812522 where: bonds (distance) C4'-P energy: -59.652 bonds (distance) P-C4' energy: -49.714 flat angles C4'-P-C4' energy: -47.859 flat angles P-C4'-P energy: -23.705 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: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1132.303069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.303069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.303069 (E_RNA) where: Base-Base interactions energy: -784.315 where: short stacking energy: -344.568 Base-Backbone interact. energy: -0.725 local terms energy: -347.263240 where: bonds (distance) C4'-P energy: -62.377 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -44.454 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: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1112.918554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.918554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.918554 (E_RNA) where: Base-Base interactions energy: -762.610 where: short stacking energy: -324.113 Base-Backbone interact. energy: -2.460 local terms energy: -347.848812 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -70.545 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -101.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1034.020304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.020304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.020304 (E_RNA) where: Base-Base interactions energy: -733.024 where: short stacking energy: -316.881 Base-Backbone interact. energy: -1.159 local terms energy: -299.837421 where: bonds (distance) C4'-P energy: -50.248 bonds (distance) P-C4' energy: -52.348 flat angles C4'-P-C4' energy: -68.604 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: -87.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1019.122209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.122209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.122209 (E_RNA) where: Base-Base interactions energy: -699.144 where: short stacking energy: -298.939 Base-Backbone interact. energy: 2.590 local terms energy: -322.568064 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -52.705 flat angles C4'-P-C4' energy: -65.041 flat angles P-C4'-P energy: -51.211 tors. eta vs tors. theta energy: -87.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -938.821331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.821331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.821331 (E_RNA) where: Base-Base interactions energy: -636.013 where: short stacking energy: -278.000 Base-Backbone interact. energy: -0.901 local terms energy: -301.907022 where: bonds (distance) C4'-P energy: -46.854 bonds (distance) P-C4' energy: -65.494 flat angles C4'-P-C4' energy: -63.852 flat angles P-C4'-P energy: -44.306 tors. eta vs tors. theta energy: -81.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -786.021617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.021617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.021617 (E_RNA) where: Base-Base interactions energy: -524.513 where: short stacking energy: -225.079 Base-Backbone interact. energy: -1.422 local terms energy: -260.086475 where: bonds (distance) C4'-P energy: -54.663 bonds (distance) P-C4' energy: -50.821 flat angles C4'-P-C4' energy: -57.731 flat angles P-C4'-P energy: -40.325 tors. eta vs tors. theta energy: -56.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -765.965436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.965436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.965436 (E_RNA) where: Base-Base interactions energy: -506.875 where: short stacking energy: -241.015 Base-Backbone interact. energy: -1.539 local terms energy: -257.551437 where: bonds (distance) C4'-P energy: -44.226 bonds (distance) P-C4' energy: -54.655 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -56.486 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: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -498.568748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.568748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.568748 (E_RNA) where: Base-Base interactions energy: -278.082 where: short stacking energy: -150.919 Base-Backbone interact. energy: -0.818 local terms energy: -219.668098 where: bonds (distance) C4'-P energy: -50.552 bonds (distance) P-C4' energy: -51.792 flat angles C4'-P-C4' energy: -58.593 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -21.789 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -380.011293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.011293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.011293 (E_RNA) where: Base-Base interactions energy: -190.429 where: short stacking energy: -97.551 Base-Backbone interact. energy: 0.475 local terms energy: -190.057488 where: bonds (distance) C4'-P energy: -56.580 bonds (distance) P-C4' energy: -51.895 flat angles C4'-P-C4' energy: -49.684 flat angles P-C4'-P energy: -32.473 tors. eta vs tors. theta energy: 0.575 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: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -304.118830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.118830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.118830 (E_RNA) where: Base-Base interactions energy: -136.181 where: short stacking energy: -72.002 Base-Backbone interact. energy: -1.289 local terms energy: -166.649115 where: bonds (distance) C4'-P energy: -47.086 bonds (distance) P-C4' energy: -54.061 flat angles C4'-P-C4' energy: -46.854 flat angles P-C4'-P energy: -22.085 tors. eta vs tors. theta energy: 3.436 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: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1135.024499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.024499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.024499 (E_RNA) where: Base-Base interactions energy: -779.650 where: short stacking energy: -313.745 Base-Backbone interact. energy: -0.122 local terms energy: -355.252882 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -75.081 flat angles P-C4'-P energy: -49.980 tors. eta vs tors. theta energy: -100.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1109.751221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.751221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.751221 (E_RNA) where: Base-Base interactions energy: -756.767 where: short stacking energy: -328.135 Base-Backbone interact. energy: 0.542 local terms energy: -353.526951 where: bonds (distance) C4'-P energy: -62.240 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -80.720 flat angles P-C4'-P energy: -44.728 tors. eta vs tors. theta energy: -94.378 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: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1051.884880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.884880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.884880 (E_RNA) where: Base-Base interactions energy: -717.157 where: short stacking energy: -300.299 Base-Backbone interact. energy: -0.127 local terms energy: -334.601267 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -68.158 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: -90.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1004.032602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.032602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.032602 (E_RNA) where: Base-Base interactions energy: -691.748 where: short stacking energy: -287.218 Base-Backbone interact. energy: -0.252 local terms energy: -312.032667 where: bonds (distance) C4'-P energy: -55.046 bonds (distance) P-C4' energy: -61.144 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -83.965 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: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -938.846106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.846106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.846106 (E_RNA) where: Base-Base interactions energy: -634.302 where: short stacking energy: -289.671 Base-Backbone interact. energy: -0.234 local terms energy: -304.310039 where: bonds (distance) C4'-P energy: -43.969 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -64.659 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -81.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -821.865279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.865279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.865279 (E_RNA) where: Base-Base interactions energy: -539.274 where: short stacking energy: -251.420 Base-Backbone interact. energy: 2.080 local terms energy: -284.671357 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -63.437 flat angles C4'-P-C4' energy: -61.052 flat angles P-C4'-P energy: -32.987 tors. eta vs tors. theta energy: -63.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -730.267283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.267283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.267283 (E_RNA) where: Base-Base interactions energy: -473.610 where: short stacking energy: -215.979 Base-Backbone interact. energy: -0.893 local terms energy: -255.764537 where: bonds (distance) C4'-P energy: -47.782 bonds (distance) P-C4' energy: -65.101 flat angles C4'-P-C4' energy: -63.028 flat angles P-C4'-P energy: -33.298 tors. eta vs tors. theta energy: -46.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -501.112068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.112068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.112068 (E_RNA) where: Base-Base interactions energy: -273.728 where: short stacking energy: -134.956 Base-Backbone interact. energy: -0.453 local terms energy: -226.930704 where: bonds (distance) C4'-P energy: -57.832 bonds (distance) P-C4' energy: -64.061 flat angles C4'-P-C4' energy: -59.261 flat angles P-C4'-P energy: -27.524 tors. eta vs tors. theta energy: -18.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -377.586294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.586294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.586294 (E_RNA) where: Base-Base interactions energy: -195.407 where: short stacking energy: -131.192 Base-Backbone interact. energy: 1.144 local terms energy: -183.322534 where: bonds (distance) C4'-P energy: -55.302 bonds (distance) P-C4' energy: -46.305 flat angles C4'-P-C4' energy: -54.157 flat angles P-C4'-P energy: -18.481 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -273.767944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.767944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.767944 (E_RNA) where: Base-Base interactions energy: -94.889 where: short stacking energy: -87.697 Base-Backbone interact. energy: 0.073 local terms energy: -178.951496 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -36.647 flat angles C4'-P-C4' energy: -57.687 flat angles P-C4'-P energy: -28.637 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1136.008803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.008803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.008803 (E_RNA) where: Base-Base interactions energy: -788.982 where: short stacking energy: -324.584 Base-Backbone interact. energy: 0.627 local terms energy: -347.653965 where: bonds (distance) C4'-P energy: -59.142 bonds (distance) P-C4' energy: -65.860 flat angles C4'-P-C4' energy: -75.602 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -99.822 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: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1060.778999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.778999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.778999 (E_RNA) where: Base-Base interactions energy: -725.160 where: short stacking energy: -298.951 Base-Backbone interact. energy: -0.417 local terms energy: -335.201931 where: bonds (distance) C4'-P energy: -53.641 bonds (distance) P-C4' energy: -66.080 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -52.601 tors. eta vs tors. theta energy: -90.848 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: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1095.905555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.905555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.905555 (E_RNA) where: Base-Base interactions energy: -756.438 where: short stacking energy: -327.991 Base-Backbone interact. energy: -2.281 local terms energy: -337.185874 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -61.424 flat angles C4'-P-C4' energy: -70.437 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -98.163 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: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -956.556066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.556066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.556066 (E_RNA) where: Base-Base interactions energy: -629.235 where: short stacking energy: -293.043 Base-Backbone interact. energy: -0.493 local terms energy: -326.828219 where: bonds (distance) C4'-P energy: -50.575 bonds (distance) P-C4' energy: -65.332 flat angles C4'-P-C4' energy: -71.695 flat angles P-C4'-P energy: -45.963 tors. eta vs tors. theta energy: -93.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1007.749907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.749907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.749907 (E_RNA) where: Base-Base interactions energy: -683.090 where: short stacking energy: -288.447 Base-Backbone interact. energy: 0.382 local terms energy: -325.041590 where: bonds (distance) C4'-P energy: -57.955 bonds (distance) P-C4' energy: -56.942 flat angles C4'-P-C4' energy: -72.038 flat angles P-C4'-P energy: -48.360 tors. eta vs tors. theta energy: -89.747 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: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -803.976906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.976906 (E_RNA) where: Base-Base interactions energy: -523.016 where: short stacking energy: -238.130 Base-Backbone interact. energy: 0.548 local terms energy: -281.509068 where: bonds (distance) C4'-P energy: -48.533 bonds (distance) P-C4' energy: -50.469 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: -55.104 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: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -703.335644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.335644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.335644 (E_RNA) where: Base-Base interactions energy: -465.348 where: short stacking energy: -201.038 Base-Backbone interact. energy: -1.478 local terms energy: -236.509610 where: bonds (distance) C4'-P energy: -48.227 bonds (distance) P-C4' energy: -54.354 flat angles C4'-P-C4' energy: -60.771 flat angles P-C4'-P energy: -29.024 tors. eta vs tors. theta energy: -44.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -469.360951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.360951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.360951 (E_RNA) where: Base-Base interactions energy: -276.935 where: short stacking energy: -155.881 Base-Backbone interact. energy: 0.227 local terms energy: -192.652602 where: bonds (distance) C4'-P energy: -54.249 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -49.747 flat angles P-C4'-P energy: -24.066 tors. eta vs tors. theta energy: -7.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -350.806398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.806398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.806398 (E_RNA) where: Base-Base interactions energy: -173.404 where: short stacking energy: -109.916 Base-Backbone interact. energy: -0.691 local terms energy: -176.711853 where: bonds (distance) C4'-P energy: -34.820 bonds (distance) P-C4' energy: -50.956 flat angles C4'-P-C4' energy: -56.804 flat angles P-C4'-P energy: -36.952 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: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -264.856368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.856368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.856368 (E_RNA) where: Base-Base interactions energy: -99.928 where: short stacking energy: -83.695 Base-Backbone interact. energy: 1.296 local terms energy: -166.224672 where: bonds (distance) C4'-P energy: -52.468 bonds (distance) P-C4' energy: -57.542 flat angles C4'-P-C4' energy: -37.241 flat angles P-C4'-P energy: -29.214 tors. eta vs tors. theta energy: 10.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1140.332933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.332933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.332933 (E_RNA) where: Base-Base interactions energy: -774.169 where: short stacking energy: -342.389 Base-Backbone interact. energy: 0.942 local terms energy: -367.105809 where: bonds (distance) C4'-P energy: -68.268 bonds (distance) P-C4' energy: -74.545 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -45.332 tors. eta vs tors. theta energy: -101.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1051.160099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.160099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.160099 (E_RNA) where: Base-Base interactions energy: -752.316 where: short stacking energy: -299.548 Base-Backbone interact. energy: -0.131 local terms energy: -298.713517 where: bonds (distance) C4'-P energy: -64.657 bonds (distance) P-C4' energy: -50.076 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -38.292 tors. eta vs tors. theta energy: -88.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1089.684380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.684380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.684380 (E_RNA) where: Base-Base interactions energy: -758.517 where: short stacking energy: -325.136 Base-Backbone interact. energy: -1.107 local terms energy: -330.060156 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -48.857 flat angles C4'-P-C4' energy: -69.071 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -92.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -961.073961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.073961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.073961 (E_RNA) where: Base-Base interactions energy: -646.109 where: short stacking energy: -284.810 Base-Backbone interact. energy: -0.414 local terms energy: -314.551575 where: bonds (distance) C4'-P energy: -49.587 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -42.962 tors. eta vs tors. theta energy: -90.935 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: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -994.329457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.329457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.329457 (E_RNA) where: Base-Base interactions energy: -680.222 where: short stacking energy: -298.072 Base-Backbone interact. energy: -0.972 local terms energy: -313.135598 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -64.613 flat angles C4'-P-C4' energy: -66.671 flat angles P-C4'-P energy: -38.412 tors. eta vs tors. theta energy: -88.535 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: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -872.001559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.001559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.001559 (E_RNA) where: Base-Base interactions energy: -579.122 where: short stacking energy: -256.972 Base-Backbone interact. energy: -1.474 local terms energy: -291.405923 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -59.706 flat angles C4'-P-C4' energy: -64.642 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -67.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -693.141174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.141174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.141174 (E_RNA) where: Base-Base interactions energy: -451.130 where: short stacking energy: -199.944 Base-Backbone interact. energy: -1.323 local terms energy: -240.687599 where: bonds (distance) C4'-P energy: -39.603 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -53.800 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -40.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -477.414038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.414038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.414038 (E_RNA) where: Base-Base interactions energy: -246.645 where: short stacking energy: -147.104 Base-Backbone interact. energy: -3.015 local terms energy: -227.753359 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -47.685 flat angles C4'-P-C4' energy: -61.233 flat angles P-C4'-P energy: -27.906 tors. eta vs tors. theta energy: -28.302 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: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -358.999482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.999482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.999482 (E_RNA) where: Base-Base interactions energy: -170.340 where: short stacking energy: -92.793 Base-Backbone interact. energy: -0.354 local terms energy: -188.306199 where: bonds (distance) C4'-P energy: -57.584 bonds (distance) P-C4' energy: -62.783 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -18.109 tors. eta vs tors. theta energy: 1.784 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: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -258.483397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.483397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.483397 (E_RNA) where: Base-Base interactions energy: -115.853 where: short stacking energy: -86.738 Base-Backbone interact. energy: 1.172 local terms energy: -143.803042 where: bonds (distance) C4'-P energy: -38.926 bonds (distance) P-C4' energy: -51.229 flat angles C4'-P-C4' energy: -42.038 flat angles P-C4'-P energy: -21.635 tors. eta vs tors. theta energy: 10.025 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: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1119.319858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.319858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.319858 (E_RNA) where: Base-Base interactions energy: -765.331 where: short stacking energy: -320.765 Base-Backbone interact. energy: -0.869 local terms energy: -353.120251 where: bonds (distance) C4'-P energy: -63.512 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -77.092 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -99.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1105.303440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.303440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.303440 (E_RNA) where: Base-Base interactions energy: -762.516 where: short stacking energy: -335.903 Base-Backbone interact. energy: 3.567 local terms energy: -346.354499 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -77.507 flat angles P-C4'-P energy: -44.308 tors. eta vs tors. theta energy: -97.815 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: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1038.958364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.958364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.958364 (E_RNA) where: Base-Base interactions energy: -714.145 where: short stacking energy: -274.839 Base-Backbone interact. energy: -1.320 local terms energy: -323.493939 where: bonds (distance) C4'-P energy: -61.683 bonds (distance) P-C4' energy: -67.455 flat angles C4'-P-C4' energy: -64.635 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -85.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1005.345486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.345486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.345486 (E_RNA) where: Base-Base interactions energy: -674.756 where: short stacking energy: -288.872 Base-Backbone interact. energy: -1.343 local terms energy: -329.245644 where: bonds (distance) C4'-P energy: -62.418 bonds (distance) P-C4' energy: -65.196 flat angles C4'-P-C4' energy: -70.547 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -86.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -933.666226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.666226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.666226 (E_RNA) where: Base-Base interactions energy: -619.448 where: short stacking energy: -261.762 Base-Backbone interact. energy: -1.639 local terms energy: -312.579678 where: bonds (distance) C4'-P energy: -55.539 bonds (distance) P-C4' energy: -59.434 flat angles C4'-P-C4' energy: -70.853 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: -84.295 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -714.946256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.946256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.946256 (E_RNA) where: Base-Base interactions energy: -475.085 where: short stacking energy: -209.975 Base-Backbone interact. energy: 2.108 local terms energy: -241.969542 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -40.080 flat angles C4'-P-C4' energy: -57.880 flat angles P-C4'-P energy: -40.932 tors. eta vs tors. theta energy: -41.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -770.095944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.095944 (E_RNA) where: Base-Base interactions energy: -499.448 where: short stacking energy: -215.932 Base-Backbone interact. energy: 1.008 local terms energy: -271.655821 where: bonds (distance) C4'-P energy: -50.330 bonds (distance) P-C4' energy: -62.237 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -38.509 tors. eta vs tors. theta energy: -53.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -479.034161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.034161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.034161 (E_RNA) where: Base-Base interactions energy: -258.152 where: short stacking energy: -139.997 Base-Backbone interact. energy: 0.567 local terms energy: -221.449293 where: bonds (distance) C4'-P energy: -54.802 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -59.570 flat angles P-C4'-P energy: -29.340 tors. eta vs tors. theta energy: -20.408 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: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -370.534587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.534587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.534587 (E_RNA) where: Base-Base interactions energy: -176.513 where: short stacking energy: -100.502 Base-Backbone interact. energy: 1.648 local terms energy: -195.669551 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -62.389 flat angles C4'-P-C4' energy: -43.181 flat angles P-C4'-P energy: -34.281 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -272.531923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.531923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.531923 (E_RNA) where: Base-Base interactions energy: -81.003 where: short stacking energy: -48.239 Base-Backbone interact. energy: -1.027 local terms energy: -190.502374 where: bonds (distance) C4'-P energy: -57.909 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -33.755 tors. eta vs tors. theta energy: 15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1108.511783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.511783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.511783 (E_RNA) where: Base-Base interactions energy: -765.977 where: short stacking energy: -327.304 Base-Backbone interact. energy: -1.375 local terms energy: -341.159240 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -62.385 flat angles C4'-P-C4' energy: -74.659 flat angles P-C4'-P energy: -44.350 tors. eta vs tors. theta energy: -95.284 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: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1107.167346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.167346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.167346 (E_RNA) where: Base-Base interactions energy: -762.634 where: short stacking energy: -319.946 Base-Backbone interact. energy: -1.836 local terms energy: -342.697428 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -60.184 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -50.970 tors. eta vs tors. theta energy: -95.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1054.128852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.128852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.128852 (E_RNA) where: Base-Base interactions energy: -727.911 where: short stacking energy: -300.888 Base-Backbone interact. energy: -3.771 local terms energy: -322.446055 where: bonds (distance) C4'-P energy: -54.564 bonds (distance) P-C4' energy: -68.364 flat angles C4'-P-C4' energy: -74.408 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -78.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -999.519192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.519192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.519192 (E_RNA) where: Base-Base interactions energy: -683.504 where: short stacking energy: -281.789 Base-Backbone interact. energy: -0.612 local terms energy: -315.403199 where: bonds (distance) C4'-P energy: -57.146 bonds (distance) P-C4' energy: -65.555 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -46.307 tors. eta vs tors. theta energy: -82.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -902.406387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.406387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.406387 (E_RNA) where: Base-Base interactions energy: -620.101 where: short stacking energy: -264.310 Base-Backbone interact. energy: -0.339 local terms energy: -281.966330 where: bonds (distance) C4'-P energy: -48.889 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -57.001 flat angles P-C4'-P energy: -42.330 tors. eta vs tors. theta energy: -72.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -684.599228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.599228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.599228 (E_RNA) where: Base-Base interactions energy: -423.360 where: short stacking energy: -190.003 Base-Backbone interact. energy: 1.959 local terms energy: -263.198107 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -49.592 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -40.664 tors. eta vs tors. theta energy: -46.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -772.251695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.251695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.251695 (E_RNA) where: Base-Base interactions energy: -495.705 where: short stacking energy: -233.677 Base-Backbone interact. energy: -1.405 local terms energy: -275.141324 where: bonds (distance) C4'-P energy: -56.566 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -52.738 flat angles P-C4'-P energy: -43.582 tors. eta vs tors. theta energy: -65.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -484.492667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.492667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.492667 (E_RNA) where: Base-Base interactions energy: -265.099 where: short stacking energy: -137.975 Base-Backbone interact. energy: -0.440 local terms energy: -218.953969 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -48.121 flat angles C4'-P-C4' energy: -45.914 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -14.196 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: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -332.105092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.105092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.105092 (E_RNA) where: Base-Base interactions energy: -143.271 where: short stacking energy: -80.232 Base-Backbone interact. energy: 0.251 local terms energy: -189.085294 where: bonds (distance) C4'-P energy: -52.967 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -40.397 flat angles P-C4'-P energy: -26.451 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -370.737434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.737434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.737434 (E_RNA) where: Base-Base interactions energy: -180.507 where: short stacking energy: -94.205 Base-Backbone interact. energy: -0.731 local terms energy: -189.499683 where: bonds (distance) C4'-P energy: -42.541 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -47.279 flat angles P-C4'-P energy: -34.527 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1118.194286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.194286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.194286 (E_RNA) where: Base-Base interactions energy: -778.082 where: short stacking energy: -331.672 Base-Backbone interact. energy: -0.719 local terms energy: -339.392680 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -68.046 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -98.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1066.798389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.798389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.798389 (E_RNA) where: Base-Base interactions energy: -732.303 where: short stacking energy: -299.634 Base-Backbone interact. energy: -2.311 local terms energy: -332.184827 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -63.449 flat angles C4'-P-C4' energy: -70.630 flat angles P-C4'-P energy: -57.711 tors. eta vs tors. theta energy: -83.597 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: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1088.634013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.634013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.634013 (E_RNA) where: Base-Base interactions energy: -743.777 where: short stacking energy: -322.921 Base-Backbone interact. energy: -0.680 local terms energy: -344.177853 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -74.799 flat angles P-C4'-P energy: -46.326 tors. eta vs tors. theta energy: -99.419 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: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1000.790610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.790610 (E_RNA) where: Base-Base interactions energy: -681.188 where: short stacking energy: -295.810 Base-Backbone interact. energy: 1.524 local terms energy: -321.126774 where: bonds (distance) C4'-P energy: -56.764 bonds (distance) P-C4' energy: -61.875 flat angles C4'-P-C4' energy: -72.148 flat angles P-C4'-P energy: -47.115 tors. eta vs tors. theta energy: -83.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -944.835572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.835572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.835572 (E_RNA) where: Base-Base interactions energy: -647.383 where: short stacking energy: -289.497 Base-Backbone interact. energy: -1.733 local terms energy: -295.719491 where: bonds (distance) C4'-P energy: -57.398 bonds (distance) P-C4' energy: -53.936 flat angles C4'-P-C4' energy: -65.860 flat angles P-C4'-P energy: -35.609 tors. eta vs tors. theta energy: -82.916 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: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -698.769500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.769500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.769500 (E_RNA) where: Base-Base interactions energy: -431.254 where: short stacking energy: -213.303 Base-Backbone interact. energy: -1.912 local terms energy: -265.603748 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -59.495 flat angles P-C4'-P energy: -35.439 tors. eta vs tors. theta energy: -49.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -754.386777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.386777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.386777 (E_RNA) where: Base-Base interactions energy: -493.166 where: short stacking energy: -203.436 Base-Backbone interact. energy: -3.168 local terms energy: -258.051950 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -49.508 flat angles C4'-P-C4' energy: -52.049 flat angles P-C4'-P energy: -34.401 tors. eta vs tors. theta energy: -53.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -505.112847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.112847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.112847 (E_RNA) where: Base-Base interactions energy: -286.470 where: short stacking energy: -151.032 Base-Backbone interact. energy: -1.183 local terms energy: -217.459605 where: bonds (distance) C4'-P energy: -52.150 bonds (distance) P-C4' energy: -55.154 flat angles C4'-P-C4' energy: -55.833 flat angles P-C4'-P energy: -31.143 tors. eta vs tors. theta energy: -23.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -383.968189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.968189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.968189 (E_RNA) where: Base-Base interactions energy: -203.669 where: short stacking energy: -120.714 Base-Backbone interact. energy: -1.432 local terms energy: -178.867955 where: bonds (distance) C4'-P energy: -41.812 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -32.795 flat angles P-C4'-P energy: -29.687 tors. eta vs tors. theta energy: -10.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -351.249942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.249942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.249942 (E_RNA) where: Base-Base interactions energy: -176.354 where: short stacking energy: -103.640 Base-Backbone interact. energy: 2.023 local terms energy: -176.919116 where: bonds (distance) C4'-P energy: -50.429 bonds (distance) P-C4' energy: -55.452 flat angles C4'-P-C4' energy: -45.377 flat angles P-C4'-P energy: -19.344 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1121.518708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.518708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.518708 (E_RNA) where: Base-Base interactions energy: -780.457 where: short stacking energy: -348.705 Base-Backbone interact. energy: -1.036 local terms energy: -340.025049 where: bonds (distance) C4'-P energy: -55.702 bonds (distance) P-C4' energy: -61.893 flat angles C4'-P-C4' energy: -71.170 flat angles P-C4'-P energy: -51.912 tors. eta vs tors. theta energy: -99.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1062.465384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.465384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.465384 (E_RNA) where: Base-Base interactions energy: -744.980 where: short stacking energy: -306.046 Base-Backbone interact. energy: -2.024 local terms energy: -315.461691 where: bonds (distance) C4'-P energy: -56.725 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -69.411 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -81.417 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: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1021.280107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.280107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.280107 (E_RNA) where: Base-Base interactions energy: -693.713 where: short stacking energy: -299.389 Base-Backbone interact. energy: -0.770 local terms energy: -326.796345 where: bonds (distance) C4'-P energy: -58.057 bonds (distance) P-C4' energy: -65.273 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: -84.484 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: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1057.543788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.543788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.543788 (E_RNA) where: Base-Base interactions energy: -724.393 where: short stacking energy: -308.562 Base-Backbone interact. energy: 0.725 local terms energy: -333.875666 where: bonds (distance) C4'-P energy: -61.422 bonds (distance) P-C4' energy: -59.977 flat angles C4'-P-C4' energy: -68.049 flat angles P-C4'-P energy: -49.161 tors. eta vs tors. theta energy: -95.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -942.686764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.686764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.686764 (E_RNA) where: Base-Base interactions energy: -641.489 where: short stacking energy: -272.321 Base-Backbone interact. energy: -3.298 local terms energy: -297.900060 where: bonds (distance) C4'-P energy: -39.633 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -74.896 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -89.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -719.457900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.457900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.457900 (E_RNA) where: Base-Base interactions energy: -464.953 where: short stacking energy: -209.003 Base-Backbone interact. energy: -2.819 local terms energy: -251.685524 where: bonds (distance) C4'-P energy: -45.995 bonds (distance) P-C4' energy: -65.601 flat angles C4'-P-C4' energy: -56.613 flat angles P-C4'-P energy: -40.567 tors. eta vs tors. theta energy: -42.910 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: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -748.263816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.263816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.263816 (E_RNA) where: Base-Base interactions energy: -499.464 where: short stacking energy: -211.088 Base-Backbone interact. energy: -0.792 local terms energy: -248.007778 where: bonds (distance) C4'-P energy: -62.556 bonds (distance) P-C4' energy: -52.432 flat angles C4'-P-C4' energy: -57.282 flat angles P-C4'-P energy: -33.293 tors. eta vs tors. theta energy: -42.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -530.269961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.269961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.269961 (E_RNA) where: Base-Base interactions energy: -321.569 where: short stacking energy: -148.439 Base-Backbone interact. energy: 1.451 local terms energy: -210.151701 where: bonds (distance) C4'-P energy: -59.436 bonds (distance) P-C4' energy: -55.450 flat angles C4'-P-C4' energy: -40.074 flat angles P-C4'-P energy: -28.135 tors. eta vs tors. theta energy: -27.056 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: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -394.841161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.841161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.841161 (E_RNA) where: Base-Base interactions energy: -193.690 where: short stacking energy: -107.801 Base-Backbone interact. energy: -1.397 local terms energy: -199.753861 where: bonds (distance) C4'-P energy: -67.330 bonds (distance) P-C4' energy: -53.399 flat angles C4'-P-C4' energy: -46.238 flat angles P-C4'-P energy: -34.542 tors. eta vs tors. theta energy: 1.755 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: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -397.224711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.224711 (E_RNA) where: Base-Base interactions energy: -187.762 where: short stacking energy: -126.091 Base-Backbone interact. energy: -0.611 local terms energy: -208.850843 where: bonds (distance) C4'-P energy: -36.720 bonds (distance) P-C4' energy: -60.893 flat angles C4'-P-C4' energy: -53.022 flat angles P-C4'-P energy: -30.405 tors. eta vs tors. theta energy: -27.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1138.045110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.045110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.045110 (E_RNA) where: Base-Base interactions energy: -775.919 where: short stacking energy: -327.843 Base-Backbone interact. energy: -0.899 local terms energy: -361.227039 where: bonds (distance) C4'-P energy: -64.842 bonds (distance) P-C4' energy: -61.759 flat angles C4'-P-C4' energy: -82.446 flat angles P-C4'-P energy: -48.325 tors. eta vs tors. theta energy: -103.856 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: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1062.268961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.268961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.268961 (E_RNA) where: Base-Base interactions energy: -731.026 where: short stacking energy: -289.737 Base-Backbone interact. energy: -1.392 local terms energy: -329.851207 where: bonds (distance) C4'-P energy: -63.961 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -81.521 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -79.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1020.938988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.938988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.938988 (E_RNA) where: Base-Base interactions energy: -691.037 where: short stacking energy: -299.501 Base-Backbone interact. energy: -0.108 local terms energy: -329.794297 where: bonds (distance) C4'-P energy: -51.475 bonds (distance) P-C4' energy: -67.605 flat angles C4'-P-C4' energy: -66.225 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -95.753 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: 451 Temperature: 1.050000 Total energy: -1048.123432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.123432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.123432 (E_RNA) where: Base-Base interactions energy: -710.610 where: short stacking energy: -285.996 Base-Backbone interact. energy: 0.994 local terms energy: -338.508190 where: bonds (distance) C4'-P energy: -65.502 bonds (distance) P-C4' energy: -60.617 flat angles C4'-P-C4' energy: -73.534 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -92.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -933.707828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.707828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.707828 (E_RNA) where: Base-Base interactions energy: -622.223 where: short stacking energy: -268.056 Base-Backbone interact. energy: -0.049 local terms energy: -311.435795 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -58.300 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -50.158 tors. eta vs tors. theta energy: -80.112 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: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -805.841941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.841941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.841941 (E_RNA) where: Base-Base interactions energy: -528.483 where: short stacking energy: -223.964 Base-Backbone interact. energy: 0.001 local terms energy: -277.359967 where: bonds (distance) C4'-P energy: -49.309 bonds (distance) P-C4' energy: -62.766 flat angles C4'-P-C4' energy: -60.486 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -55.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -692.326932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.326932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.326932 (E_RNA) where: Base-Base interactions energy: -454.652 where: short stacking energy: -208.644 Base-Backbone interact. energy: -2.186 local terms energy: -235.488889 where: bonds (distance) C4'-P energy: -56.511 bonds (distance) P-C4' energy: -51.397 flat angles C4'-P-C4' energy: -61.893 flat angles P-C4'-P energy: -27.242 tors. eta vs tors. theta energy: -38.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -525.406109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.406109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.406109 (E_RNA) where: Base-Base interactions energy: -311.764 where: short stacking energy: -143.172 Base-Backbone interact. energy: -1.056 local terms energy: -212.586406 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -53.296 flat angles C4'-P-C4' energy: -46.082 flat angles P-C4'-P energy: -34.177 tors. eta vs tors. theta energy: -24.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -411.157579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.157579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.157579 (E_RNA) where: Base-Base interactions energy: -206.711 where: short stacking energy: -112.617 Base-Backbone interact. energy: -1.374 local terms energy: -203.072814 where: bonds (distance) C4'-P energy: -51.683 bonds (distance) P-C4' energy: -54.986 flat angles C4'-P-C4' energy: -48.285 flat angles P-C4'-P energy: -33.438 tors. eta vs tors. theta energy: -14.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -360.495797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.495797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.495797 (E_RNA) where: Base-Base interactions energy: -169.979 where: short stacking energy: -101.098 Base-Backbone interact. energy: -0.062 local terms energy: -190.455204 where: bonds (distance) C4'-P energy: -50.975 bonds (distance) P-C4' energy: -58.224 flat angles C4'-P-C4' energy: -53.875 flat angles P-C4'-P energy: -21.692 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1149.597925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.597925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.597925 (E_RNA) where: Base-Base interactions energy: -796.610 where: short stacking energy: -354.441 Base-Backbone interact. energy: 0.633 local terms energy: -353.621549 where: bonds (distance) C4'-P energy: -59.242 bonds (distance) P-C4' energy: -57.507 flat angles C4'-P-C4' energy: -76.325 flat angles P-C4'-P energy: -52.585 tors. eta vs tors. theta energy: -107.962 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: 1 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1072.502605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.502605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.502605 (E_RNA) where: Base-Base interactions energy: -729.391 where: short stacking energy: -312.525 Base-Backbone interact. energy: -3.237 local terms energy: -339.874422 where: bonds (distance) C4'-P energy: -67.618 bonds (distance) P-C4' energy: -60.541 flat angles C4'-P-C4' energy: -73.204 flat angles P-C4'-P energy: -51.876 tors. eta vs tors. theta energy: -86.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1064.001669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.001669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.001669 (E_RNA) where: Base-Base interactions energy: -733.773 where: short stacking energy: -317.785 Base-Backbone interact. energy: -1.711 local terms energy: -328.517709 where: bonds (distance) C4'-P energy: -56.318 bonds (distance) P-C4' energy: -66.900 flat angles C4'-P-C4' energy: -66.840 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -92.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1003.140298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.140298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.140298 (E_RNA) where: Base-Base interactions energy: -693.324 where: short stacking energy: -292.275 Base-Backbone interact. energy: -1.408 local terms energy: -308.408253 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: -88.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -948.689776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.689776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.689776 (E_RNA) where: Base-Base interactions energy: -638.937 where: short stacking energy: -274.777 Base-Backbone interact. energy: 0.450 local terms energy: -310.203281 where: bonds (distance) C4'-P energy: -53.636 bonds (distance) P-C4' energy: -55.581 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -39.143 tors. eta vs tors. theta energy: -90.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -772.610518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.610518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.610518 (E_RNA) where: Base-Base interactions energy: -491.177 where: short stacking energy: -214.070 Base-Backbone interact. energy: -0.213 local terms energy: -281.220696 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -62.745 flat angles C4'-P-C4' energy: -58.384 flat angles P-C4'-P energy: -44.452 tors. eta vs tors. theta energy: -51.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -641.621410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.621410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.621410 (E_RNA) where: Base-Base interactions energy: -392.734 where: short stacking energy: -193.579 Base-Backbone interact. energy: 2.363 local terms energy: -251.249890 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -52.193 flat angles C4'-P-C4' energy: -61.495 flat angles P-C4'-P energy: -36.067 tors. eta vs tors. theta energy: -44.654 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: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -528.808501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.808501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.808501 (E_RNA) where: Base-Base interactions energy: -321.981 where: short stacking energy: -155.152 Base-Backbone interact. energy: -1.945 local terms energy: -204.881879 where: bonds (distance) C4'-P energy: -50.337 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -61.181 flat angles P-C4'-P energy: -20.161 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -385.362266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.362266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.362266 (E_RNA) where: Base-Base interactions energy: -191.954 where: short stacking energy: -114.721 Base-Backbone interact. energy: -0.040 local terms energy: -193.368596 where: bonds (distance) C4'-P energy: -46.064 bonds (distance) P-C4' energy: -57.790 flat angles C4'-P-C4' energy: -53.870 flat angles P-C4'-P energy: -22.852 tors. eta vs tors. theta energy: -12.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -368.265494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.265494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.265494 (E_RNA) where: Base-Base interactions energy: -183.674 where: short stacking energy: -124.227 Base-Backbone interact. energy: -3.411 local terms energy: -181.181217 where: bonds (distance) C4'-P energy: -49.882 bonds (distance) P-C4' energy: -54.329 flat angles C4'-P-C4' energy: -41.485 flat angles P-C4'-P energy: -28.254 tors. eta vs tors. theta energy: -7.230 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: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1138.685109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.685109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.685109 (E_RNA) where: Base-Base interactions energy: -788.371 where: short stacking energy: -334.684 Base-Backbone interact. energy: -1.724 local terms energy: -348.589281 where: bonds (distance) C4'-P energy: -55.892 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -77.180 flat angles P-C4'-P energy: -43.661 tors. eta vs tors. theta energy: -102.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1083.154142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.154142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.154142 (E_RNA) where: Base-Base interactions energy: -753.694 where: short stacking energy: -310.212 Base-Backbone interact. energy: -1.526 local terms energy: -327.933954 where: bonds (distance) C4'-P energy: -57.345 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -68.497 flat angles P-C4'-P energy: -45.008 tors. eta vs tors. theta energy: -89.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1048.257539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.257539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.257539 (E_RNA) where: Base-Base interactions energy: -734.308 where: short stacking energy: -304.175 Base-Backbone interact. energy: 1.027 local terms energy: -314.976485 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -58.124 flat angles C4'-P-C4' energy: -69.457 flat angles P-C4'-P energy: -41.750 tors. eta vs tors. theta energy: -89.580 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -954.462959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.462959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.462959 (E_RNA) where: Base-Base interactions energy: -633.184 where: short stacking energy: -292.801 Base-Backbone interact. energy: -1.108 local terms energy: -320.170736 where: bonds (distance) C4'-P energy: -48.414 bonds (distance) P-C4' energy: -70.084 flat angles C4'-P-C4' energy: -73.952 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: -79.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -949.586685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.586685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.586685 (E_RNA) where: Base-Base interactions energy: -641.664 where: short stacking energy: -281.080 Base-Backbone interact. energy: -0.268 local terms energy: -307.654082 where: bonds (distance) C4'-P energy: -49.845 bonds (distance) P-C4' energy: -53.788 flat angles C4'-P-C4' energy: -69.705 flat angles P-C4'-P energy: -48.078 tors. eta vs tors. theta energy: -86.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -807.373616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.373616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.373616 (E_RNA) where: Base-Base interactions energy: -528.476 where: short stacking energy: -239.790 Base-Backbone interact. energy: -0.940 local terms energy: -277.957564 where: bonds (distance) C4'-P energy: -54.756 bonds (distance) P-C4' energy: -63.258 flat angles C4'-P-C4' energy: -60.956 flat angles P-C4'-P energy: -35.786 tors. eta vs tors. theta energy: -63.203 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: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -655.550677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.550677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.550677 (E_RNA) where: Base-Base interactions energy: -401.234 where: short stacking energy: -196.367 Base-Backbone interact. energy: -2.344 local terms energy: -251.973256 where: bonds (distance) C4'-P energy: -55.400 bonds (distance) P-C4' energy: -43.537 flat angles C4'-P-C4' energy: -60.610 flat angles P-C4'-P energy: -39.488 tors. eta vs tors. theta energy: -52.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -529.150352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.150352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.150352 (E_RNA) where: Base-Base interactions energy: -315.489 where: short stacking energy: -177.534 Base-Backbone interact. energy: 1.213 local terms energy: -214.874577 where: bonds (distance) C4'-P energy: -53.260 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -62.699 flat angles P-C4'-P energy: -19.499 tors. eta vs tors. theta energy: -15.650 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: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -407.970493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.970493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.970493 (E_RNA) where: Base-Base interactions energy: -193.042 where: short stacking energy: -107.717 Base-Backbone interact. energy: -0.397 local terms energy: -214.531252 where: bonds (distance) C4'-P energy: -62.408 bonds (distance) P-C4' energy: -53.402 flat angles C4'-P-C4' energy: -48.833 flat angles P-C4'-P energy: -33.272 tors. eta vs tors. theta energy: -16.617 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: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -369.070242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.070242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.070242 (E_RNA) where: Base-Base interactions energy: -192.070 where: short stacking energy: -101.943 Base-Backbone interact. energy: -0.360 local terms energy: -176.639406 where: bonds (distance) C4'-P energy: -56.066 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -36.860 flat angles P-C4'-P energy: -24.154 tors. eta vs tors. theta energy: 2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1144.350751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.350751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.350751 (E_RNA) where: Base-Base interactions energy: -800.468 where: short stacking energy: -337.759 Base-Backbone interact. energy: -1.210 local terms energy: -342.672343 where: bonds (distance) C4'-P energy: -56.549 bonds (distance) P-C4' energy: -58.951 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -52.731 tors. eta vs tors. theta energy: -105.327 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: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1107.465833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.465833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.465833 (E_RNA) where: Base-Base interactions energy: -759.331 where: short stacking energy: -328.724 Base-Backbone interact. energy: -1.730 local terms energy: -346.404953 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -68.044 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -102.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1051.528214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.528214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.528214 (E_RNA) where: Base-Base interactions energy: -708.914 where: short stacking energy: -294.987 Base-Backbone interact. energy: 0.499 local terms energy: -343.112611 where: bonds (distance) C4'-P energy: -62.887 bonds (distance) P-C4' energy: -63.462 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -91.881 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -976.808930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.808930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.808930 (E_RNA) where: Base-Base interactions energy: -655.908 where: short stacking energy: -263.872 Base-Backbone interact. energy: 0.930 local terms energy: -321.830881 where: bonds (distance) C4'-P energy: -58.524 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -67.574 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -82.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -981.262467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.262467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.262467 (E_RNA) where: Base-Base interactions energy: -683.503 where: short stacking energy: -294.216 Base-Backbone interact. energy: -0.825 local terms energy: -296.934305 where: bonds (distance) C4'-P energy: -43.209 bonds (distance) P-C4' energy: -74.865 flat angles C4'-P-C4' energy: -60.637 flat angles P-C4'-P energy: -42.136 tors. eta vs tors. theta energy: -76.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -745.914981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.914981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.914981 (E_RNA) where: Base-Base interactions energy: -472.034 where: short stacking energy: -216.777 Base-Backbone interact. energy: -0.906 local terms energy: -272.974669 where: bonds (distance) C4'-P energy: -57.525 bonds (distance) P-C4' energy: -65.374 flat angles C4'-P-C4' energy: -59.047 flat angles P-C4'-P energy: -28.954 tors. eta vs tors. theta energy: -62.074 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: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -641.492264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.492264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.492264 (E_RNA) where: Base-Base interactions energy: -389.218 where: short stacking energy: -198.314 Base-Backbone interact. energy: -0.702 local terms energy: -251.571754 where: bonds (distance) C4'-P energy: -52.157 bonds (distance) P-C4' energy: -58.163 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -38.381 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: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -531.416509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.416509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.416509 (E_RNA) where: Base-Base interactions energy: -301.485 where: short stacking energy: -167.986 Base-Backbone interact. energy: -3.221 local terms energy: -226.710095 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -63.506 flat angles C4'-P-C4' energy: -53.584 flat angles P-C4'-P energy: -31.751 tors. eta vs tors. theta energy: -18.859 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: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -436.576307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.576307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.576307 (E_RNA) where: Base-Base interactions energy: -250.981 where: short stacking energy: -136.823 Base-Backbone interact. energy: -1.378 local terms energy: -184.217482 where: bonds (distance) C4'-P energy: -48.194 bonds (distance) P-C4' energy: -47.346 flat angles C4'-P-C4' energy: -42.873 flat angles P-C4'-P energy: -24.740 tors. eta vs tors. theta energy: -21.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -367.433878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.433878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.433878 (E_RNA) where: Base-Base interactions energy: -186.748 where: short stacking energy: -100.552 Base-Backbone interact. energy: -0.933 local terms energy: -179.752603 where: bonds (distance) C4'-P energy: -44.564 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -53.222 flat angles P-C4'-P energy: -20.019 tors. eta vs tors. theta energy: 3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1135.873053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.873053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.873053 (E_RNA) where: Base-Base interactions energy: -782.886 where: short stacking energy: -335.724 Base-Backbone interact. energy: -2.433 local terms energy: -350.553428 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -46.551 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: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1100.361080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.361080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.361080 (E_RNA) where: Base-Base interactions energy: -735.105 where: short stacking energy: -314.334 Base-Backbone interact. energy: -2.650 local terms energy: -362.605655 where: bonds (distance) C4'-P energy: -69.188 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -76.038 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -101.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1052.543033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.543033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.543033 (E_RNA) where: Base-Base interactions energy: -716.832 where: short stacking energy: -306.067 Base-Backbone interact. energy: -0.245 local terms energy: -335.466314 where: bonds (distance) C4'-P energy: -56.421 bonds (distance) P-C4' energy: -69.336 flat angles C4'-P-C4' energy: -70.207 flat angles P-C4'-P energy: -54.537 tors. eta vs tors. theta energy: -84.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -985.511589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.511589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.511589 (E_RNA) where: Base-Base interactions energy: -681.147 where: short stacking energy: -283.364 Base-Backbone interact. energy: 0.010 local terms energy: -304.374420 where: bonds (distance) C4'-P energy: -62.101 bonds (distance) P-C4' energy: -58.640 flat angles C4'-P-C4' energy: -65.143 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -74.133 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: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -971.249945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.249945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.249945 (E_RNA) where: Base-Base interactions energy: -652.846 where: short stacking energy: -284.285 Base-Backbone interact. energy: -0.369 local terms energy: -318.034886 where: bonds (distance) C4'-P energy: -61.989 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -63.290 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -85.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -742.555483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.555483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.555483 (E_RNA) where: Base-Base interactions energy: -479.624 where: short stacking energy: -208.736 Base-Backbone interact. energy: -2.930 local terms energy: -260.001794 where: bonds (distance) C4'-P energy: -47.823 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -59.427 flat angles P-C4'-P energy: -39.959 tors. eta vs tors. theta energy: -50.942 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: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -638.595784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.595784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.595784 (E_RNA) where: Base-Base interactions energy: -401.946 where: short stacking energy: -175.397 Base-Backbone interact. energy: 7.957 local terms energy: -244.606686 where: bonds (distance) C4'-P energy: -50.220 bonds (distance) P-C4' energy: -53.745 flat angles C4'-P-C4' energy: -53.569 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -49.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -484.491680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.491680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.491680 (E_RNA) where: Base-Base interactions energy: -275.700 where: short stacking energy: -147.235 Base-Backbone interact. energy: -0.587 local terms energy: -208.205190 where: bonds (distance) C4'-P energy: -50.689 bonds (distance) P-C4' energy: -48.207 flat angles C4'-P-C4' energy: -58.608 flat angles P-C4'-P energy: -30.549 tors. eta vs tors. theta energy: -20.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -366.647081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.647081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.647081 (E_RNA) where: Base-Base interactions energy: -189.790 where: short stacking energy: -121.544 Base-Backbone interact. energy: 0.809 local terms energy: -177.665885 where: bonds (distance) C4'-P energy: -51.024 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -44.801 flat angles P-C4'-P energy: -21.024 tors. eta vs tors. theta energy: 1.580 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: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -356.934559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.934559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.934559 (E_RNA) where: Base-Base interactions energy: -169.967 where: short stacking energy: -94.242 Base-Backbone interact. energy: -0.601 local terms energy: -186.366622 where: bonds (distance) C4'-P energy: -51.230 bonds (distance) P-C4' energy: -61.517 flat angles C4'-P-C4' energy: -46.554 flat angles P-C4'-P energy: -27.536 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1125.775734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.775734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.775734 (E_RNA) where: Base-Base interactions energy: -774.074 where: short stacking energy: -337.930 Base-Backbone interact. energy: -0.603 local terms energy: -351.099618 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -99.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1110.153456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.153456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.153456 (E_RNA) where: Base-Base interactions energy: -763.697 where: short stacking energy: -319.244 Base-Backbone interact. energy: -1.337 local terms energy: -345.119573 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -70.261 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -96.074 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: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1051.798450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.798450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.798450 (E_RNA) where: Base-Base interactions energy: -717.342 where: short stacking energy: -308.062 Base-Backbone interact. energy: -1.025 local terms energy: -333.431820 where: bonds (distance) C4'-P energy: -53.215 bonds (distance) P-C4' energy: -57.787 flat angles C4'-P-C4' energy: -76.671 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -89.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1000.270239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.270239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.270239 (E_RNA) where: Base-Base interactions energy: -691.072 where: short stacking energy: -278.277 Base-Backbone interact. energy: 2.393 local terms energy: -311.591244 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -62.044 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -81.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -954.896584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.896584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.896584 (E_RNA) where: Base-Base interactions energy: -653.018 where: short stacking energy: -279.539 Base-Backbone interact. energy: -0.401 local terms energy: -301.478182 where: bonds (distance) C4'-P energy: -68.355 bonds (distance) P-C4' energy: -53.709 flat angles C4'-P-C4' energy: -62.190 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -76.990 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: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -796.419975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.419975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.419975 (E_RNA) where: Base-Base interactions energy: -516.367 where: short stacking energy: -250.304 Base-Backbone interact. energy: 2.512 local terms energy: -282.565383 where: bonds (distance) C4'-P energy: -53.366 bonds (distance) P-C4' energy: -52.244 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -45.257 tors. eta vs tors. theta energy: -67.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -667.939615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.939615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.939615 (E_RNA) where: Base-Base interactions energy: -426.635 where: short stacking energy: -202.588 Base-Backbone interact. energy: -0.739 local terms energy: -240.565359 where: bonds (distance) C4'-P energy: -47.938 bonds (distance) P-C4' energy: -59.788 flat angles C4'-P-C4' energy: -62.217 flat angles P-C4'-P energy: -25.611 tors. eta vs tors. theta energy: -45.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -519.152187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.152187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.152187 (E_RNA) where: Base-Base interactions energy: -269.082 where: short stacking energy: -142.925 Base-Backbone interact. energy: 0.375 local terms energy: -250.444738 where: bonds (distance) C4'-P energy: -73.071 bonds (distance) P-C4' energy: -58.312 flat angles C4'-P-C4' energy: -54.128 flat angles P-C4'-P energy: -37.191 tors. eta vs tors. theta energy: -27.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -383.583846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.583846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.583846 (E_RNA) where: Base-Base interactions energy: -177.375 where: short stacking energy: -94.593 Base-Backbone interact. energy: 7.504 local terms energy: -213.712660 where: bonds (distance) C4'-P energy: -57.157 bonds (distance) P-C4' energy: -67.638 flat angles C4'-P-C4' energy: -48.334 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: 3.924 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: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -330.206440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.206440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.206440 (E_RNA) where: Base-Base interactions energy: -164.111 where: short stacking energy: -108.032 Base-Backbone interact. energy: -1.031 local terms energy: -165.064355 where: bonds (distance) C4'-P energy: -40.136 bonds (distance) P-C4' energy: -56.079 flat angles C4'-P-C4' energy: -45.169 flat angles P-C4'-P energy: -22.931 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1145.690536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.690536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.690536 (E_RNA) where: Base-Base interactions energy: -787.486 where: short stacking energy: -345.241 Base-Backbone interact. energy: -0.731 local terms energy: -357.473761 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -64.556 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -40.079 tors. eta vs tors. theta energy: -107.126 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: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1104.815031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.815031 (E_RNA) where: Base-Base interactions energy: -739.048 where: short stacking energy: -316.889 Base-Backbone interact. energy: -3.009 local terms energy: -362.757873 where: bonds (distance) C4'-P energy: -64.331 bonds (distance) P-C4' energy: -74.498 flat angles C4'-P-C4' energy: -72.840 flat angles P-C4'-P energy: -45.581 tors. eta vs tors. theta energy: -105.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1058.024544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.024544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.024544 (E_RNA) where: Base-Base interactions energy: -740.317 where: short stacking energy: -301.726 Base-Backbone interact. energy: 0.587 local terms energy: -318.294425 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -66.519 flat angles C4'-P-C4' energy: -67.947 flat angles P-C4'-P energy: -36.744 tors. eta vs tors. theta energy: -92.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -979.528677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.528677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.528677 (E_RNA) where: Base-Base interactions energy: -647.803 where: short stacking energy: -296.853 Base-Backbone interact. energy: -0.511 local terms energy: -331.214855 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -62.723 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -52.574 tors. eta vs tors. theta energy: -89.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -965.438537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.438537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.438537 (E_RNA) where: Base-Base interactions energy: -668.169 where: short stacking energy: -288.902 Base-Backbone interact. energy: 1.993 local terms energy: -299.261917 where: bonds (distance) C4'-P energy: -53.385 bonds (distance) P-C4' energy: -67.996 flat angles C4'-P-C4' energy: -61.188 flat angles P-C4'-P energy: -36.126 tors. eta vs tors. theta energy: -80.567 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: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -815.181821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.181821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.181821 (E_RNA) where: Base-Base interactions energy: -521.227 where: short stacking energy: -243.868 Base-Backbone interact. energy: -1.360 local terms energy: -292.594737 where: bonds (distance) C4'-P energy: -49.914 bonds (distance) P-C4' energy: -58.747 flat angles C4'-P-C4' energy: -56.625 flat angles P-C4'-P energy: -54.855 tors. eta vs tors. theta energy: -72.454 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -698.539490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.539490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.539490 (E_RNA) where: Base-Base interactions energy: -440.562 where: short stacking energy: -184.190 Base-Backbone interact. energy: -0.933 local terms energy: -257.044570 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -61.567 flat angles C4'-P-C4' energy: -50.820 flat angles P-C4'-P energy: -34.754 tors. eta vs tors. theta energy: -48.087 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: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -539.483843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.483843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.483843 (E_RNA) where: Base-Base interactions energy: -333.682 where: short stacking energy: -166.125 Base-Backbone interact. energy: 2.854 local terms energy: -208.656211 where: bonds (distance) C4'-P energy: -49.866 bonds (distance) P-C4' energy: -54.289 flat angles C4'-P-C4' energy: -42.337 flat angles P-C4'-P energy: -33.968 tors. eta vs tors. theta energy: -28.197 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -369.497441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.497441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.497441 (E_RNA) where: Base-Base interactions energy: -167.088 where: short stacking energy: -107.664 Base-Backbone interact. energy: -1.424 local terms energy: -200.985619 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -53.374 flat angles C4'-P-C4' energy: -52.893 flat angles P-C4'-P energy: -34.301 tors. eta vs tors. theta energy: -6.224 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: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -327.678630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.678630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.678630 (E_RNA) where: Base-Base interactions energy: -146.874 where: short stacking energy: -73.913 Base-Backbone interact. energy: -2.366 local terms energy: -178.438785 where: bonds (distance) C4'-P energy: -40.065 bonds (distance) P-C4' energy: -54.706 flat angles C4'-P-C4' energy: -48.988 flat angles P-C4'-P energy: -36.428 tors. eta vs tors. theta energy: 1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1138.797246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.797246 (E_RNA) where: Base-Base interactions energy: -783.988 where: short stacking energy: -344.572 Base-Backbone interact. energy: -1.766 local terms energy: -353.043047 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -63.333 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -101.378 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: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1099.504635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.504635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.504635 (E_RNA) where: Base-Base interactions energy: -757.839 where: short stacking energy: -320.476 Base-Backbone interact. energy: 0.460 local terms energy: -342.125211 where: bonds (distance) C4'-P energy: -63.615 bonds (distance) P-C4' energy: -63.674 flat angles C4'-P-C4' energy: -74.488 flat angles P-C4'-P energy: -50.256 tors. eta vs tors. theta energy: -90.092 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: 458 Temperature: 1.000000 Total energy: -1071.355754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.355754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.355754 (E_RNA) where: Base-Base interactions energy: -740.780 where: short stacking energy: -305.960 Base-Backbone interact. energy: -2.447 local terms energy: -328.128216 where: bonds (distance) C4'-P energy: -49.190 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -72.752 flat angles P-C4'-P energy: -52.670 tors. eta vs tors. theta energy: -91.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -983.826724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.826724 (E_RNA) where: Base-Base interactions energy: -657.650 where: short stacking energy: -276.951 Base-Backbone interact. energy: -0.391 local terms energy: -325.785321 where: bonds (distance) C4'-P energy: -67.077 bonds (distance) P-C4' energy: -56.057 flat angles C4'-P-C4' energy: -74.989 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -77.967 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: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -967.103990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.103990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.103990 (E_RNA) where: Base-Base interactions energy: -665.575 where: short stacking energy: -276.212 Base-Backbone interact. energy: -1.139 local terms energy: -300.389656 where: bonds (distance) C4'-P energy: -52.813 bonds (distance) P-C4' energy: -63.247 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -36.104 tors. eta vs tors. theta energy: -74.076 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: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -820.252453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.252453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.252453 (E_RNA) where: Base-Base interactions energy: -529.279 where: short stacking energy: -252.429 Base-Backbone interact. energy: -2.486 local terms energy: -288.487634 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -54.452 flat angles C4'-P-C4' energy: -54.719 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -70.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -619.954080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.954080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.954080 (E_RNA) where: Base-Base interactions energy: -354.226 where: short stacking energy: -183.549 Base-Backbone interact. energy: -0.429 local terms energy: -265.299926 where: bonds (distance) C4'-P energy: -54.183 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -65.273 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -41.833 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: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -538.959506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.959506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.959506 (E_RNA) where: Base-Base interactions energy: -315.169 where: short stacking energy: -159.747 Base-Backbone interact. energy: 5.753 local terms energy: -229.543046 where: bonds (distance) C4'-P energy: -45.149 bonds (distance) P-C4' energy: -58.132 flat angles C4'-P-C4' energy: -57.331 flat angles P-C4'-P energy: -35.512 tors. eta vs tors. theta energy: -33.419 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: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -334.676164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.676164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.676164 (E_RNA) where: Base-Base interactions energy: -141.957 where: short stacking energy: -103.789 Base-Backbone interact. energy: 0.806 local terms energy: -193.524818 where: bonds (distance) C4'-P energy: -40.659 bonds (distance) P-C4' energy: -61.359 flat angles C4'-P-C4' energy: -61.394 flat angles P-C4'-P energy: -30.126 tors. eta vs tors. theta energy: 0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -327.670715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.670715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.670715 (E_RNA) where: Base-Base interactions energy: -148.332 where: short stacking energy: -80.948 Base-Backbone interact. energy: 6.781 local terms energy: -186.119907 where: bonds (distance) C4'-P energy: -48.662 bonds (distance) P-C4' energy: -64.311 flat angles C4'-P-C4' energy: -53.983 flat angles P-C4'-P energy: -17.136 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1141.889445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.889445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.889445 (E_RNA) where: Base-Base interactions energy: -787.140 where: short stacking energy: -335.676 Base-Backbone interact. energy: -0.549 local terms energy: -354.199909 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -66.425 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -100.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1087.734277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.734277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.734277 (E_RNA) where: Base-Base interactions energy: -745.841 where: short stacking energy: -315.160 Base-Backbone interact. energy: -2.178 local terms energy: -339.715494 where: bonds (distance) C4'-P energy: -58.031 bonds (distance) P-C4' energy: -72.752 flat angles C4'-P-C4' energy: -69.351 flat angles P-C4'-P energy: -47.723 tors. eta vs tors. theta energy: -91.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1077.129119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.129119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.129119 (E_RNA) where: Base-Base interactions energy: -743.665 where: short stacking energy: -310.091 Base-Backbone interact. energy: 0.422 local terms energy: -333.885796 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -64.696 flat angles C4'-P-C4' energy: -74.354 flat angles P-C4'-P energy: -50.456 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: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1008.948834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.948834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.948834 (E_RNA) where: Base-Base interactions energy: -691.071 where: short stacking energy: -278.520 Base-Backbone interact. energy: -1.361 local terms energy: -316.516500 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -71.664 flat angles P-C4'-P energy: -39.004 tors. eta vs tors. theta energy: -82.028 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: 459 Temperature: 1.100000 Total energy: -952.801101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.801101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.801101 (E_RNA) where: Base-Base interactions energy: -661.255 where: short stacking energy: -280.504 Base-Backbone interact. energy: -0.746 local terms energy: -290.799758 where: bonds (distance) C4'-P energy: -46.693 bonds (distance) P-C4' energy: -57.427 flat angles C4'-P-C4' energy: -66.593 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -83.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -776.681520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.681520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.681520 (E_RNA) where: Base-Base interactions energy: -500.996 where: short stacking energy: -225.195 Base-Backbone interact. energy: -0.494 local terms energy: -275.191410 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -64.057 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -32.900 tors. eta vs tors. theta energy: -57.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -636.681785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.681785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.681785 (E_RNA) where: Base-Base interactions energy: -399.255 where: short stacking energy: -191.394 Base-Backbone interact. energy: -0.998 local terms energy: -236.427970 where: bonds (distance) C4'-P energy: -56.290 bonds (distance) P-C4' energy: -47.037 flat angles C4'-P-C4' energy: -57.413 flat angles P-C4'-P energy: -40.062 tors. eta vs tors. theta energy: -35.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -504.822396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.822396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.822396 (E_RNA) where: Base-Base interactions energy: -298.278 where: short stacking energy: -150.851 Base-Backbone interact. energy: -1.313 local terms energy: -205.230851 where: bonds (distance) C4'-P energy: -45.494 bonds (distance) P-C4' energy: -52.622 flat angles C4'-P-C4' energy: -49.425 flat angles P-C4'-P energy: -37.307 tors. eta vs tors. theta energy: -20.383 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: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -295.567609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.567609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.567609 (E_RNA) where: Base-Base interactions energy: -105.177 where: short stacking energy: -93.154 Base-Backbone interact. energy: 4.730 local terms energy: -195.120665 where: bonds (distance) C4'-P energy: -64.049 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -44.967 flat angles P-C4'-P energy: -31.279 tors. eta vs tors. theta energy: 4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -315.862858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -315.862858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -315.862858 (E_RNA) where: Base-Base interactions energy: -149.996 where: short stacking energy: -76.190 Base-Backbone interact. energy: 1.898 local terms energy: -167.764722 where: bonds (distance) C4'-P energy: -52.100 bonds (distance) P-C4' energy: -49.484 flat angles C4'-P-C4' energy: -53.663 flat angles P-C4'-P energy: -27.585 tors. eta vs tors. theta energy: 15.068 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: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1137.251624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.251624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.251624 (E_RNA) where: Base-Base interactions energy: -800.215 where: short stacking energy: -331.470 Base-Backbone interact. energy: -1.675 local terms energy: -335.361983 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -62.699 flat angles C4'-P-C4' energy: -66.098 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -99.796 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: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1063.149122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.149122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.149122 (E_RNA) where: Base-Base interactions energy: -722.987 where: short stacking energy: -305.480 Base-Backbone interact. energy: -1.411 local terms energy: -338.751519 where: bonds (distance) C4'-P energy: -61.296 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -87.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1020.093865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.093865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.093865 (E_RNA) where: Base-Base interactions energy: -688.344 where: short stacking energy: -288.100 Base-Backbone interact. energy: -1.356 local terms energy: -330.393595 where: bonds (distance) C4'-P energy: -64.264 bonds (distance) P-C4' energy: -61.755 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -84.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1050.717993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.717993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.717993 (E_RNA) where: Base-Base interactions energy: -725.512 where: short stacking energy: -310.470 Base-Backbone interact. energy: -0.034 local terms energy: -325.172165 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -53.669 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -91.847 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: 460 Temperature: 1.100000 Total energy: -939.736658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.736658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.736658 (E_RNA) where: Base-Base interactions energy: -635.703 where: short stacking energy: -284.303 Base-Backbone interact. energy: -0.117 local terms energy: -303.916280 where: bonds (distance) C4'-P energy: -54.324 bonds (distance) P-C4' energy: -69.059 flat angles C4'-P-C4' energy: -58.306 flat angles P-C4'-P energy: -42.666 tors. eta vs tors. theta energy: -79.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -756.628392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.628392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.628392 (E_RNA) where: Base-Base interactions energy: -493.569 where: short stacking energy: -223.818 Base-Backbone interact. energy: -1.827 local terms energy: -261.231928 where: bonds (distance) C4'-P energy: -34.642 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -69.264 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -61.316 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: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -686.360098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.360098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.360098 (E_RNA) where: Base-Base interactions energy: -412.166 where: short stacking energy: -203.941 Base-Backbone interact. energy: -0.034 local terms energy: -274.160566 where: bonds (distance) C4'-P energy: -49.842 bonds (distance) P-C4' energy: -52.127 flat angles C4'-P-C4' energy: -63.326 flat angles P-C4'-P energy: -49.007 tors. eta vs tors. theta energy: -59.859 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: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -487.873442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.873442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.873442 (E_RNA) where: Base-Base interactions energy: -278.147 where: short stacking energy: -148.894 Base-Backbone interact. energy: 0.756 local terms energy: -210.482472 where: bonds (distance) C4'-P energy: -52.758 bonds (distance) P-C4' energy: -57.434 flat angles C4'-P-C4' energy: -54.744 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: -8.699 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: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -289.715369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.715369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.715369 (E_RNA) where: Base-Base interactions energy: -103.962 where: short stacking energy: -79.760 Base-Backbone interact. energy: -1.978 local terms energy: -183.774996 where: bonds (distance) C4'-P energy: -48.211 bonds (distance) P-C4' energy: -64.558 flat angles C4'-P-C4' energy: -50.231 flat angles P-C4'-P energy: -29.862 tors. eta vs tors. theta energy: 9.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -290.858834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.858834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.858834 (E_RNA) where: Base-Base interactions energy: -120.268 where: short stacking energy: -72.447 Base-Backbone interact. energy: 1.166 local terms energy: -171.756147 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -47.458 flat angles C4'-P-C4' energy: -39.983 flat angles P-C4'-P energy: -30.684 tors. eta vs tors. theta energy: 10.040 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: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1121.777341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.777341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.777341 (E_RNA) where: Base-Base interactions energy: -754.728 where: short stacking energy: -324.572 Base-Backbone interact. energy: -1.790 local terms energy: -365.258901 where: bonds (distance) C4'-P energy: -61.439 bonds (distance) P-C4' energy: -71.482 flat angles C4'-P-C4' energy: -81.829 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -100.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1089.984598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.984598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.984598 (E_RNA) where: Base-Base interactions energy: -743.965 where: short stacking energy: -320.527 Base-Backbone interact. energy: -1.612 local terms energy: -344.407031 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -70.062 flat angles C4'-P-C4' energy: -71.829 flat angles P-C4'-P energy: -44.936 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: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1010.354057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.354057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.354057 (E_RNA) where: Base-Base interactions energy: -679.338 where: short stacking energy: -281.642 Base-Backbone interact. energy: -1.148 local terms energy: -329.867838 where: bonds (distance) C4'-P energy: -64.879 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -74.810 flat angles P-C4'-P energy: -44.116 tors. eta vs tors. theta energy: -83.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1066.834927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.834927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.834927 (E_RNA) where: Base-Base interactions energy: -731.961 where: short stacking energy: -305.421 Base-Backbone interact. energy: -0.314 local terms energy: -334.559899 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -62.803 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -47.900 tors. eta vs tors. theta energy: -89.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -987.475566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.475566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.475566 (E_RNA) where: Base-Base interactions energy: -662.086 where: short stacking energy: -304.070 Base-Backbone interact. energy: -0.190 local terms energy: -325.199898 where: bonds (distance) C4'-P energy: -47.185 bonds (distance) P-C4' energy: -69.755 flat angles C4'-P-C4' energy: -74.500 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -765.419980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.419980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.419980 (E_RNA) where: Base-Base interactions energy: -518.809 where: short stacking energy: -237.880 Base-Backbone interact. energy: 0.763 local terms energy: -247.374200 where: bonds (distance) C4'-P energy: -38.315 bonds (distance) P-C4' energy: -57.473 flat angles C4'-P-C4' energy: -50.713 flat angles P-C4'-P energy: -42.696 tors. eta vs tors. theta energy: -58.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -731.050650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.050650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.050650 (E_RNA) where: Base-Base interactions energy: -448.424 where: short stacking energy: -211.418 Base-Backbone interact. energy: -1.064 local terms energy: -281.562673 where: bonds (distance) C4'-P energy: -50.781 bonds (distance) P-C4' energy: -65.844 flat angles C4'-P-C4' energy: -75.745 flat angles P-C4'-P energy: -39.965 tors. eta vs tors. theta energy: -49.228 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: 461 Temperature: 1.250000 Total energy: -501.702670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.702670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.702670 (E_RNA) where: Base-Base interactions energy: -274.542 where: short stacking energy: -144.120 Base-Backbone interact. energy: -0.964 local terms energy: -226.196898 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -51.894 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -40.310 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -297.716590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.716590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.716590 (E_RNA) where: Base-Base interactions energy: -123.264 where: short stacking energy: -87.254 Base-Backbone interact. energy: 0.139 local terms energy: -174.591679 where: bonds (distance) C4'-P energy: -53.278 bonds (distance) P-C4' energy: -53.860 flat angles C4'-P-C4' energy: -42.744 flat angles P-C4'-P energy: -26.962 tors. eta vs tors. theta energy: 2.252 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: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -356.852524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.852524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.852524 (E_RNA) where: Base-Base interactions energy: -173.091 where: short stacking energy: -135.047 Base-Backbone interact. energy: -0.380 local terms energy: -183.381887 where: bonds (distance) C4'-P energy: -50.680 bonds (distance) P-C4' energy: -46.918 flat angles C4'-P-C4' energy: -47.000 flat angles P-C4'-P energy: -20.947 tors. eta vs tors. theta energy: -17.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1149.347399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.347399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.347399 (E_RNA) where: Base-Base interactions energy: -786.652 where: short stacking energy: -334.986 Base-Backbone interact. energy: -0.428 local terms energy: -362.268122 where: bonds (distance) C4'-P energy: -78.062 bonds (distance) P-C4' energy: -70.513 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -51.387 tors. eta vs tors. theta energy: -98.774 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: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1093.141421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.141421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.141421 (E_RNA) where: Base-Base interactions energy: -761.672 where: short stacking energy: -317.788 Base-Backbone interact. energy: -5.321 local terms energy: -326.148927 where: bonds (distance) C4'-P energy: -55.782 bonds (distance) P-C4' energy: -64.581 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -95.342 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: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1086.977462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.977462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.977462 (E_RNA) where: Base-Base interactions energy: -756.539 where: short stacking energy: -331.361 Base-Backbone interact. energy: 0.146 local terms energy: -330.584105 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -56.447 flat angles C4'-P-C4' energy: -72.518 flat angles P-C4'-P energy: -43.154 tors. eta vs tors. theta energy: -98.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -985.584976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.584976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.584976 (E_RNA) where: Base-Base interactions energy: -660.882 where: short stacking energy: -284.025 Base-Backbone interact. energy: -0.503 local terms energy: -324.200092 where: bonds (distance) C4'-P energy: -65.626 bonds (distance) P-C4' energy: -61.639 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -79.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -958.415844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.415844 (E_RNA) where: Base-Base interactions energy: -646.504 where: short stacking energy: -295.920 Base-Backbone interact. energy: -1.386 local terms energy: -310.525761 where: bonds (distance) C4'-P energy: -51.396 bonds (distance) P-C4' energy: -53.147 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -43.941 tors. eta vs tors. theta energy: -92.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -791.659882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.659882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.659882 (E_RNA) where: Base-Base interactions energy: -496.034 where: short stacking energy: -243.959 Base-Backbone interact. energy: -0.918 local terms energy: -294.708406 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -69.060 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -34.740 tors. eta vs tors. theta energy: -62.917 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: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -676.324597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.324597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.324597 (E_RNA) where: Base-Base interactions energy: -423.350 where: short stacking energy: -191.615 Base-Backbone interact. energy: -0.792 local terms energy: -252.182303 where: bonds (distance) C4'-P energy: -53.097 bonds (distance) P-C4' energy: -58.241 flat angles C4'-P-C4' energy: -56.244 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -46.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -491.336676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.336676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.336676 (E_RNA) where: Base-Base interactions energy: -268.626 where: short stacking energy: -138.677 Base-Backbone interact. energy: -0.500 local terms energy: -222.210404 where: bonds (distance) C4'-P energy: -56.299 bonds (distance) P-C4' energy: -66.610 flat angles C4'-P-C4' energy: -53.644 flat angles P-C4'-P energy: -36.444 tors. eta vs tors. theta energy: -9.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -372.419368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.419368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.419368 (E_RNA) where: Base-Base interactions energy: -178.024 where: short stacking energy: -117.230 Base-Backbone interact. energy: -2.922 local terms energy: -191.472792 where: bonds (distance) C4'-P energy: -54.740 bonds (distance) P-C4' energy: -57.044 flat angles C4'-P-C4' energy: -46.596 flat angles P-C4'-P energy: -25.057 tors. eta vs tors. theta energy: -8.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -269.607438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.607438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.607438 (E_RNA) where: Base-Base interactions energy: -98.466 where: short stacking energy: -81.827 Base-Backbone interact. energy: 0.797 local terms energy: -171.938416 where: bonds (distance) C4'-P energy: -54.823 bonds (distance) P-C4' energy: -56.922 flat angles C4'-P-C4' energy: -41.007 flat angles P-C4'-P energy: -27.241 tors. eta vs tors. theta energy: 8.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1130.558791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.558791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.558791 (E_RNA) where: Base-Base interactions energy: -787.520 where: short stacking energy: -321.720 Base-Backbone interact. energy: -0.653 local terms energy: -342.385816 where: bonds (distance) C4'-P energy: -61.261 bonds (distance) P-C4' energy: -71.943 flat angles C4'-P-C4' energy: -67.408 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -93.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1101.988945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.988945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.988945 (E_RNA) where: Base-Base interactions energy: -761.574 where: short stacking energy: -320.021 Base-Backbone interact. energy: 3.525 local terms energy: -343.939529 where: bonds (distance) C4'-P energy: -58.770 bonds (distance) P-C4' energy: -59.683 flat angles C4'-P-C4' energy: -73.791 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -99.081 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: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1077.828648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.828648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.828648 (E_RNA) where: Base-Base interactions energy: -728.786 where: short stacking energy: -329.871 Base-Backbone interact. energy: 0.163 local terms energy: -349.205803 where: bonds (distance) C4'-P energy: -65.609 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -72.454 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -97.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -957.762798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.762798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.762798 (E_RNA) where: Base-Base interactions energy: -630.653 where: short stacking energy: -283.827 Base-Backbone interact. energy: 1.673 local terms energy: -328.782284 where: bonds (distance) C4'-P energy: -62.497 bonds (distance) P-C4' energy: -63.507 flat angles C4'-P-C4' energy: -68.112 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: -84.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -972.401807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.401807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.401807 (E_RNA) where: Base-Base interactions energy: -667.533 where: short stacking energy: -289.990 Base-Backbone interact. energy: -0.764 local terms energy: -304.105049 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -68.876 flat angles C4'-P-C4' energy: -60.444 flat angles P-C4'-P energy: -40.144 tors. eta vs tors. theta energy: -79.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -788.645690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.645690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.645690 (E_RNA) where: Base-Base interactions energy: -522.067 where: short stacking energy: -224.467 Base-Backbone interact. energy: -1.603 local terms energy: -264.975768 where: bonds (distance) C4'-P energy: -57.886 bonds (distance) P-C4' energy: -49.864 flat angles C4'-P-C4' energy: -57.728 flat angles P-C4'-P energy: -42.945 tors. eta vs tors. theta energy: -56.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -718.206649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.206649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.206649 (E_RNA) where: Base-Base interactions energy: -451.451 where: short stacking energy: -213.282 Base-Backbone interact. energy: 0.116 local terms energy: -266.871160 where: bonds (distance) C4'-P energy: -45.788 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -49.685 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: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -509.493960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.493960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.493960 (E_RNA) where: Base-Base interactions energy: -312.081 where: short stacking energy: -134.825 Base-Backbone interact. energy: -2.432 local terms energy: -194.980972 where: bonds (distance) C4'-P energy: -40.388 bonds (distance) P-C4' energy: -49.231 flat angles C4'-P-C4' energy: -59.911 flat angles P-C4'-P energy: -32.385 tors. eta vs tors. theta energy: -13.067 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: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -379.553882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.553882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.553882 (E_RNA) where: Base-Base interactions energy: -195.556 where: short stacking energy: -105.813 Base-Backbone interact. energy: -0.908 local terms energy: -183.089529 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -43.935 flat angles C4'-P-C4' energy: -50.981 flat angles P-C4'-P energy: -23.760 tors. eta vs tors. theta energy: -8.080 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: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -273.514906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.514906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.514906 (E_RNA) where: Base-Base interactions energy: -100.466 where: short stacking energy: -84.706 Base-Backbone interact. energy: 2.638 local terms energy: -175.686516 where: bonds (distance) C4'-P energy: -54.737 bonds (distance) P-C4' energy: -52.457 flat angles C4'-P-C4' energy: -45.599 flat angles P-C4'-P energy: -29.006 tors. eta vs tors. theta energy: 6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1116.401217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.401217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.401217 (E_RNA) where: Base-Base interactions energy: -774.342 where: short stacking energy: -321.348 Base-Backbone interact. energy: -0.530 local terms energy: -341.528391 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -66.483 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: -97.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1102.051860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.051860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.051860 (E_RNA) where: Base-Base interactions energy: -759.021 where: short stacking energy: -310.936 Base-Backbone interact. energy: -0.106 local terms energy: -342.925407 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -47.781 tors. eta vs tors. theta energy: -94.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1040.387501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.387501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.387501 (E_RNA) where: Base-Base interactions energy: -703.392 where: short stacking energy: -315.489 Base-Backbone interact. energy: 0.471 local terms energy: -337.466234 where: bonds (distance) C4'-P energy: -60.817 bonds (distance) P-C4' energy: -66.659 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -949.708819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.708819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.708819 (E_RNA) where: Base-Base interactions energy: -634.875 where: short stacking energy: -275.699 Base-Backbone interact. energy: -0.438 local terms energy: -314.395511 where: bonds (distance) C4'-P energy: -60.322 bonds (distance) P-C4' energy: -55.539 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -81.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -952.278844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.278844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.278844 (E_RNA) where: Base-Base interactions energy: -653.296 where: short stacking energy: -271.247 Base-Backbone interact. energy: -0.303 local terms energy: -298.679784 where: bonds (distance) C4'-P energy: -44.773 bonds (distance) P-C4' energy: -57.773 flat angles C4'-P-C4' energy: -64.479 flat angles P-C4'-P energy: -50.613 tors. eta vs tors. theta energy: -81.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -792.741549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.741549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.741549 (E_RNA) where: Base-Base interactions energy: -514.001 where: short stacking energy: -238.902 Base-Backbone interact. energy: -0.527 local terms energy: -278.214189 where: bonds (distance) C4'-P energy: -54.869 bonds (distance) P-C4' energy: -58.868 flat angles C4'-P-C4' energy: -67.347 flat angles P-C4'-P energy: -35.284 tors. eta vs tors. theta energy: -61.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -664.234267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.234267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.234267 (E_RNA) where: Base-Base interactions energy: -413.500 where: short stacking energy: -200.262 Base-Backbone interact. energy: -1.923 local terms energy: -248.810937 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -56.775 flat angles P-C4'-P energy: -30.893 tors. eta vs tors. theta energy: -42.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -520.531619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.531619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.531619 (E_RNA) where: Base-Base interactions energy: -309.702 where: short stacking energy: -147.142 Base-Backbone interact. energy: 0.424 local terms energy: -211.253784 where: bonds (distance) C4'-P energy: -48.805 bonds (distance) P-C4' energy: -53.928 flat angles C4'-P-C4' energy: -58.484 flat angles P-C4'-P energy: -30.482 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -429.926365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.926365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.926365 (E_RNA) where: Base-Base interactions energy: -212.988 where: short stacking energy: -116.101 Base-Backbone interact. energy: -2.560 local terms energy: -214.378365 where: bonds (distance) C4'-P energy: -58.080 bonds (distance) P-C4' energy: -66.777 flat angles C4'-P-C4' energy: -51.386 flat angles P-C4'-P energy: -29.516 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -330.778670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.778670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.778670 (E_RNA) where: Base-Base interactions energy: -154.446 where: short stacking energy: -93.656 Base-Backbone interact. energy: -1.525 local terms energy: -174.807390 where: bonds (distance) C4'-P energy: -54.794 bonds (distance) P-C4' energy: -52.928 flat angles C4'-P-C4' energy: -47.451 flat angles P-C4'-P energy: -19.709 tors. eta vs tors. theta energy: 0.075 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: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1113.557422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.557422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.557422 (E_RNA) where: Base-Base interactions energy: -776.848 where: short stacking energy: -336.873 Base-Backbone interact. energy: -0.953 local terms energy: -335.756642 where: bonds (distance) C4'-P energy: -53.988 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -76.336 flat angles P-C4'-P energy: -49.045 tors. eta vs tors. theta energy: -97.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1084.978973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.978973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.978973 (E_RNA) where: Base-Base interactions energy: -734.886 where: short stacking energy: -303.766 Base-Backbone interact. energy: -1.936 local terms energy: -348.156502 where: bonds (distance) C4'-P energy: -62.592 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -93.672 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: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1023.290085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.290085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.290085 (E_RNA) where: Base-Base interactions energy: -700.419 where: short stacking energy: -309.423 Base-Backbone interact. energy: -1.057 local terms energy: -321.813542 where: bonds (distance) C4'-P energy: -57.008 bonds (distance) P-C4' energy: -54.944 flat angles C4'-P-C4' energy: -73.002 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -86.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -991.380814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.380814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.380814 (E_RNA) where: Base-Base interactions energy: -658.374 where: short stacking energy: -301.766 Base-Backbone interact. energy: -1.262 local terms energy: -331.743994 where: bonds (distance) C4'-P energy: -65.077 bonds (distance) P-C4' energy: -68.571 flat angles C4'-P-C4' energy: -72.137 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: -91.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -947.542139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.542139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.542139 (E_RNA) where: Base-Base interactions energy: -666.185 where: short stacking energy: -285.888 Base-Backbone interact. energy: 0.424 local terms energy: -281.781525 where: bonds (distance) C4'-P energy: -54.225 bonds (distance) P-C4' energy: -51.038 flat angles C4'-P-C4' energy: -69.335 flat angles P-C4'-P energy: -34.706 tors. eta vs tors. theta energy: -72.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -789.148045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.148045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.148045 (E_RNA) where: Base-Base interactions energy: -518.451 where: short stacking energy: -230.464 Base-Backbone interact. energy: -1.021 local terms energy: -269.675291 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -59.371 flat angles P-C4'-P energy: -37.237 tors. eta vs tors. theta energy: -56.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -664.232708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.232708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.232708 (E_RNA) where: Base-Base interactions energy: -422.489 where: short stacking energy: -196.983 Base-Backbone interact. energy: -3.393 local terms energy: -238.351296 where: bonds (distance) C4'-P energy: -44.985 bonds (distance) P-C4' energy: -64.978 flat angles C4'-P-C4' energy: -45.213 flat angles P-C4'-P energy: -36.764 tors. eta vs tors. theta energy: -46.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -532.204463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.204463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.204463 (E_RNA) where: Base-Base interactions energy: -317.931 where: short stacking energy: -150.481 Base-Backbone interact. energy: 0.781 local terms energy: -215.053736 where: bonds (distance) C4'-P energy: -53.083 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -53.839 flat angles P-C4'-P energy: -25.682 tors. eta vs tors. theta energy: -20.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -384.766434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.766434 (E_RNA) where: Base-Base interactions energy: -203.760 where: short stacking energy: -127.235 Base-Backbone interact. energy: -0.497 local terms energy: -180.509217 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -46.029 flat angles C4'-P-C4' energy: -58.268 flat angles P-C4'-P energy: -19.966 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -306.222224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -306.222224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -306.222224 (E_RNA) where: Base-Base interactions energy: -123.568 where: short stacking energy: -85.635 Base-Backbone interact. energy: -0.505 local terms energy: -182.149305 where: bonds (distance) C4'-P energy: -51.752 bonds (distance) P-C4' energy: -54.798 flat angles C4'-P-C4' energy: -53.501 flat angles P-C4'-P energy: -32.002 tors. eta vs tors. theta energy: 9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1132.770686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.770686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.770686 (E_RNA) where: Base-Base interactions energy: -775.662 where: short stacking energy: -337.152 Base-Backbone interact. energy: -0.916 local terms energy: -356.192631 where: bonds (distance) C4'-P energy: -71.745 bonds (distance) P-C4' energy: -64.123 flat angles C4'-P-C4' energy: -73.255 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -101.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1088.652649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.652649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.652649 (E_RNA) where: Base-Base interactions energy: -752.719 where: short stacking energy: -315.405 Base-Backbone interact. energy: -3.546 local terms energy: -332.387801 where: bonds (distance) C4'-P energy: -51.932 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -96.993 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: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1033.152718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.152718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.152718 (E_RNA) where: Base-Base interactions energy: -715.746 where: short stacking energy: -312.133 Base-Backbone interact. energy: 0.381 local terms energy: -317.788063 where: bonds (distance) C4'-P energy: -53.863 bonds (distance) P-C4' energy: -63.353 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -93.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -974.855598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.855598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.855598 (E_RNA) where: Base-Base interactions energy: -652.919 where: short stacking energy: -307.690 Base-Backbone interact. energy: -1.984 local terms energy: -319.952938 where: bonds (distance) C4'-P energy: -54.960 bonds (distance) P-C4' energy: -58.429 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -82.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -941.484538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.484538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.484538 (E_RNA) where: Base-Base interactions energy: -642.684 where: short stacking energy: -272.252 Base-Backbone interact. energy: -1.409 local terms energy: -297.391173 where: bonds (distance) C4'-P energy: -52.229 bonds (distance) P-C4' energy: -53.242 flat angles C4'-P-C4' energy: -63.652 flat angles P-C4'-P energy: -54.412 tors. eta vs tors. theta energy: -73.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -777.161742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.161742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.161742 (E_RNA) where: Base-Base interactions energy: -502.359 where: short stacking energy: -219.356 Base-Backbone interact. energy: 0.508 local terms energy: -275.310821 where: bonds (distance) C4'-P energy: -57.834 bonds (distance) P-C4' energy: -58.974 flat angles C4'-P-C4' energy: -57.830 flat angles P-C4'-P energy: -43.010 tors. eta vs tors. theta energy: -57.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -637.145714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.145714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.145714 (E_RNA) where: Base-Base interactions energy: -382.035 where: short stacking energy: -194.330 Base-Backbone interact. energy: -0.432 local terms energy: -254.679005 where: bonds (distance) C4'-P energy: -59.667 bonds (distance) P-C4' energy: -49.171 flat angles C4'-P-C4' energy: -60.228 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: -42.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -542.724332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.724332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.724332 (E_RNA) where: Base-Base interactions energy: -317.572 where: short stacking energy: -155.963 Base-Backbone interact. energy: 4.365 local terms energy: -229.517832 where: bonds (distance) C4'-P energy: -56.702 bonds (distance) P-C4' energy: -62.456 flat angles C4'-P-C4' energy: -54.400 flat angles P-C4'-P energy: -25.401 tors. eta vs tors. theta energy: -30.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -422.988428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.988428 (E_RNA) where: Base-Base interactions energy: -207.739 where: short stacking energy: -116.655 Base-Backbone interact. energy: 0.226 local terms energy: -215.474930 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -53.384 flat angles C4'-P-C4' energy: -59.447 flat angles P-C4'-P energy: -28.210 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -337.801617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.801617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.801617 (E_RNA) where: Base-Base interactions energy: -129.684 where: short stacking energy: -92.988 Base-Backbone interact. energy: 0.342 local terms energy: -208.459424 where: bonds (distance) C4'-P energy: -62.331 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -53.217 flat angles P-C4'-P energy: -32.555 tors. eta vs tors. theta energy: -4.295 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: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1113.089784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.089784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.089784 (E_RNA) where: Base-Base interactions energy: -751.147 where: short stacking energy: -325.996 Base-Backbone interact. energy: -2.550 local terms energy: -359.393368 where: bonds (distance) C4'-P energy: -60.170 bonds (distance) P-C4' energy: -63.488 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -100.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1097.283692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.283692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.283692 (E_RNA) where: Base-Base interactions energy: -769.409 where: short stacking energy: -310.197 Base-Backbone interact. energy: -1.485 local terms energy: -326.390231 where: bonds (distance) C4'-P energy: -62.379 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -68.976 flat angles P-C4'-P energy: -41.743 tors. eta vs tors. theta energy: -88.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1064.408818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.408818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.408818 (E_RNA) where: Base-Base interactions energy: -739.939 where: short stacking energy: -320.056 Base-Backbone interact. energy: 2.281 local terms energy: -326.750964 where: bonds (distance) C4'-P energy: -61.797 bonds (distance) P-C4' energy: -58.448 flat angles C4'-P-C4' energy: -68.815 flat angles P-C4'-P energy: -47.154 tors. eta vs tors. theta energy: -90.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -973.530096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.530096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.530096 (E_RNA) where: Base-Base interactions energy: -659.987 where: short stacking energy: -265.346 Base-Backbone interact. energy: 1.724 local terms energy: -315.267488 where: bonds (distance) C4'-P energy: -65.979 bonds (distance) P-C4' energy: -65.251 flat angles C4'-P-C4' energy: -69.742 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -68.366 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: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -932.078200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.078200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.078200 (E_RNA) where: Base-Base interactions energy: -640.481 where: short stacking energy: -285.770 Base-Backbone interact. energy: -0.275 local terms energy: -291.322897 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -59.381 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -40.507 tors. eta vs tors. theta energy: -79.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -816.204116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.204116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.204116 (E_RNA) where: Base-Base interactions energy: -527.661 where: short stacking energy: -249.945 Base-Backbone interact. energy: -1.020 local terms energy: -287.522991 where: bonds (distance) C4'-P energy: -58.694 bonds (distance) P-C4' energy: -64.418 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: -64.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -623.961173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.961173 (E_RNA) where: Base-Base interactions energy: -378.516 where: short stacking energy: -183.247 Base-Backbone interact. energy: -0.262 local terms energy: -245.183090 where: bonds (distance) C4'-P energy: -54.409 bonds (distance) P-C4' energy: -59.285 flat angles C4'-P-C4' energy: -55.430 flat angles P-C4'-P energy: -38.283 tors. eta vs tors. theta energy: -37.776 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: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -544.512771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.512771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.512771 (E_RNA) where: Base-Base interactions energy: -323.840 where: short stacking energy: -133.114 Base-Backbone interact. energy: -0.121 local terms energy: -220.551651 where: bonds (distance) C4'-P energy: -48.058 bonds (distance) P-C4' energy: -65.154 flat angles C4'-P-C4' energy: -60.186 flat angles P-C4'-P energy: -37.014 tors. eta vs tors. theta energy: -10.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -438.721208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.721208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.721208 (E_RNA) where: Base-Base interactions energy: -248.782 where: short stacking energy: -143.035 Base-Backbone interact. energy: -0.783 local terms energy: -189.155932 where: bonds (distance) C4'-P energy: -46.509 bonds (distance) P-C4' energy: -46.579 flat angles C4'-P-C4' energy: -48.720 flat angles P-C4'-P energy: -34.648 tors. eta vs tors. theta energy: -12.700 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: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -330.425877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.425877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.425877 (E_RNA) where: Base-Base interactions energy: -124.599 where: short stacking energy: -91.304 Base-Backbone interact. energy: -0.171 local terms energy: -205.655764 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -59.832 flat angles C4'-P-C4' energy: -51.462 flat angles P-C4'-P energy: -38.608 tors. eta vs tors. theta energy: 9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1122.933942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.933942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.933942 (E_RNA) where: Base-Base interactions energy: -770.992 where: short stacking energy: -322.678 Base-Backbone interact. energy: -2.740 local terms energy: -349.202303 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -70.216 flat angles C4'-P-C4' energy: -72.192 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -99.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1108.363694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.363694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.363694 (E_RNA) where: Base-Base interactions energy: -772.791 where: short stacking energy: -310.084 Base-Backbone interact. energy: -2.586 local terms energy: -332.987184 where: bonds (distance) C4'-P energy: -67.353 bonds (distance) P-C4' energy: -60.936 flat angles C4'-P-C4' energy: -65.771 flat angles P-C4'-P energy: -50.947 tors. eta vs tors. theta energy: -87.979 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: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1047.917320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.917320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.917320 (E_RNA) where: Base-Base interactions energy: -715.233 where: short stacking energy: -285.546 Base-Backbone interact. energy: -0.698 local terms energy: -331.986909 where: bonds (distance) C4'-P energy: -65.198 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -64.681 flat angles P-C4'-P energy: -43.171 tors. eta vs tors. theta energy: -86.827 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: 468 Temperature: 1.050000 Total energy: -963.234649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.234649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.234649 (E_RNA) where: Base-Base interactions energy: -662.922 where: short stacking energy: -273.488 Base-Backbone interact. energy: -3.603 local terms energy: -296.709409 where: bonds (distance) C4'-P energy: -54.844 bonds (distance) P-C4' energy: -58.749 flat angles C4'-P-C4' energy: -61.102 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: -78.557 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: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -941.953943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.953943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.953943 (E_RNA) where: Base-Base interactions energy: -653.785 where: short stacking energy: -285.065 Base-Backbone interact. energy: -2.364 local terms energy: -285.804860 where: bonds (distance) C4'-P energy: -48.865 bonds (distance) P-C4' energy: -45.462 flat angles C4'-P-C4' energy: -60.356 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -86.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -799.686150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.686150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.686150 (E_RNA) where: Base-Base interactions energy: -523.406 where: short stacking energy: -249.618 Base-Backbone interact. energy: 1.169 local terms energy: -277.449583 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -56.940 flat angles C4'-P-C4' energy: -59.720 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -66.411 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: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -644.602448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.602448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.602448 (E_RNA) where: Base-Base interactions energy: -395.822 where: short stacking energy: -209.654 Base-Backbone interact. energy: 1.662 local terms energy: -250.442023 where: bonds (distance) C4'-P energy: -50.775 bonds (distance) P-C4' energy: -55.870 flat angles C4'-P-C4' energy: -50.967 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -47.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -548.638474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.638474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.638474 (E_RNA) where: Base-Base interactions energy: -328.624 where: short stacking energy: -157.528 Base-Backbone interact. energy: -2.344 local terms energy: -217.669812 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -48.243 flat angles C4'-P-C4' energy: -50.856 flat angles P-C4'-P energy: -35.317 tors. eta vs tors. theta energy: -27.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -346.524606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.524606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.524606 (E_RNA) where: Base-Base interactions energy: -161.036 where: short stacking energy: -104.612 Base-Backbone interact. energy: 1.170 local terms energy: -186.659292 where: bonds (distance) C4'-P energy: -48.384 bonds (distance) P-C4' energy: -61.764 flat angles C4'-P-C4' energy: -32.383 flat angles P-C4'-P energy: -33.560 tors. eta vs tors. theta energy: -10.568 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -383.353206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.353206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.353206 (E_RNA) where: Base-Base interactions energy: -203.488 where: short stacking energy: -108.996 Base-Backbone interact. energy: -2.328 local terms energy: -177.537556 where: bonds (distance) C4'-P energy: -41.924 bonds (distance) P-C4' energy: -49.138 flat angles C4'-P-C4' energy: -51.633 flat angles P-C4'-P energy: -33.915 tors. eta vs tors. theta energy: -0.927 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: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1121.873455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.873455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.873455 (E_RNA) where: Base-Base interactions energy: -775.725 where: short stacking energy: -320.528 Base-Backbone interact. energy: 0.014 local terms energy: -346.162275 where: bonds (distance) C4'-P energy: -69.268 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -99.063 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: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1104.171106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.171106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.171106 (E_RNA) where: Base-Base interactions energy: -781.814 where: short stacking energy: -323.956 Base-Backbone interact. energy: -1.217 local terms energy: -321.139538 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -56.104 flat angles C4'-P-C4' energy: -73.456 flat angles P-C4'-P energy: -36.648 tors. eta vs tors. theta energy: -100.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1029.734990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.734990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.734990 (E_RNA) where: Base-Base interactions energy: -702.042 where: short stacking energy: -278.454 Base-Backbone interact. energy: 1.267 local terms energy: -328.959895 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -68.666 flat angles C4'-P-C4' energy: -62.058 flat angles P-C4'-P energy: -52.289 tors. eta vs tors. theta energy: -86.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -975.265053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.265053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.265053 (E_RNA) where: Base-Base interactions energy: -672.728 where: short stacking energy: -286.641 Base-Backbone interact. energy: 0.224 local terms energy: -302.761135 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -58.965 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -33.860 tors. eta vs tors. theta energy: -77.626 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: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -932.199747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.199747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.199747 (E_RNA) where: Base-Base interactions energy: -647.626 where: short stacking energy: -278.315 Base-Backbone interact. energy: -0.685 local terms energy: -283.888596 where: bonds (distance) C4'-P energy: -46.356 bonds (distance) P-C4' energy: -58.945 flat angles C4'-P-C4' energy: -61.529 flat angles P-C4'-P energy: -35.717 tors. eta vs tors. theta energy: -81.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -775.075884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.075884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.075884 (E_RNA) where: Base-Base interactions energy: -511.324 where: short stacking energy: -218.635 Base-Backbone interact. energy: -1.947 local terms energy: -261.804943 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -57.476 flat angles C4'-P-C4' energy: -56.178 flat angles P-C4'-P energy: -21.228 tors. eta vs tors. theta energy: -56.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -663.693617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.693617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.693617 (E_RNA) where: Base-Base interactions energy: -417.426 where: short stacking energy: -212.779 Base-Backbone interact. energy: -0.012 local terms energy: -246.256399 where: bonds (distance) C4'-P energy: -47.070 bonds (distance) P-C4' energy: -46.782 flat angles C4'-P-C4' energy: -58.537 flat angles P-C4'-P energy: -44.072 tors. eta vs tors. theta energy: -49.796 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: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -557.867680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.867680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.867680 (E_RNA) where: Base-Base interactions energy: -330.338 where: short stacking energy: -159.299 Base-Backbone interact. energy: -0.223 local terms energy: -227.306575 where: bonds (distance) C4'-P energy: -45.532 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -51.804 flat angles P-C4'-P energy: -30.100 tors. eta vs tors. theta energy: -31.853 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: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -381.082204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.082204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.082204 (E_RNA) where: Base-Base interactions energy: -182.627 where: short stacking energy: -103.349 Base-Backbone interact. energy: 1.751 local terms energy: -200.205424 where: bonds (distance) C4'-P energy: -58.633 bonds (distance) P-C4' energy: -60.609 flat angles C4'-P-C4' energy: -49.827 flat angles P-C4'-P energy: -28.923 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -404.575808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.575808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.575808 (E_RNA) where: Base-Base interactions energy: -215.982 where: short stacking energy: -132.102 Base-Backbone interact. energy: -1.840 local terms energy: -186.754243 where: bonds (distance) C4'-P energy: -46.385 bonds (distance) P-C4' energy: -46.886 flat angles C4'-P-C4' energy: -45.287 flat angles P-C4'-P energy: -28.845 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1119.202099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.202099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.202099 (E_RNA) where: Base-Base interactions energy: -777.299 where: short stacking energy: -306.493 Base-Backbone interact. energy: -1.269 local terms energy: -340.633839 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -71.942 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -91.290 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: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1111.325685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.325685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.325685 (E_RNA) where: Base-Base interactions energy: -765.808 where: short stacking energy: -314.161 Base-Backbone interact. energy: -0.663 local terms energy: -344.854409 where: bonds (distance) C4'-P energy: -69.152 bonds (distance) P-C4' energy: -67.312 flat angles C4'-P-C4' energy: -65.539 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -99.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1062.556637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.556637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.556637 (E_RNA) where: Base-Base interactions energy: -718.001 where: short stacking energy: -318.172 Base-Backbone interact. energy: -1.321 local terms energy: -343.234585 where: bonds (distance) C4'-P energy: -50.705 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -71.607 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -95.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -963.944010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.944010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.944010 (E_RNA) where: Base-Base interactions energy: -663.617 where: short stacking energy: -262.357 Base-Backbone interact. energy: -0.442 local terms energy: -299.884779 where: bonds (distance) C4'-P energy: -63.891 bonds (distance) P-C4' energy: -66.049 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -63.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -911.995005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.995005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.995005 (E_RNA) where: Base-Base interactions energy: -608.943 where: short stacking energy: -280.097 Base-Backbone interact. energy: 0.595 local terms energy: -303.647413 where: bonds (distance) C4'-P energy: -53.988 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -63.572 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: -79.135 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -759.796560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.796560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.796560 (E_RNA) where: Base-Base interactions energy: -494.609 where: short stacking energy: -227.401 Base-Backbone interact. energy: -1.697 local terms energy: -263.490075 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -56.116 flat angles P-C4'-P energy: -35.112 tors. eta vs tors. theta energy: -49.797 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: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -699.331161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.331161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.331161 (E_RNA) where: Base-Base interactions energy: -415.727 where: short stacking energy: -206.901 Base-Backbone interact. energy: -1.266 local terms energy: -282.337836 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -61.676 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -42.127 tors. eta vs tors. theta energy: -50.118 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: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -557.142248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.142248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.142248 (E_RNA) where: Base-Base interactions energy: -327.648 where: short stacking energy: -164.397 Base-Backbone interact. energy: -0.899 local terms energy: -228.594458 where: bonds (distance) C4'-P energy: -51.942 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -50.253 flat angles P-C4'-P energy: -33.695 tors. eta vs tors. theta energy: -30.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -418.797170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.797170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.797170 (E_RNA) where: Base-Base interactions energy: -225.406 where: short stacking energy: -140.295 Base-Backbone interact. energy: 1.903 local terms energy: -195.293276 where: bonds (distance) C4'-P energy: -60.433 bonds (distance) P-C4' energy: -46.179 flat angles C4'-P-C4' energy: -49.042 flat angles P-C4'-P energy: -27.129 tors. eta vs tors. theta energy: -12.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -307.040841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.040841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.040841 (E_RNA) where: Base-Base interactions energy: -116.266 where: short stacking energy: -86.717 Base-Backbone interact. energy: 2.696 local terms energy: -193.471115 where: bonds (distance) C4'-P energy: -66.784 bonds (distance) P-C4' energy: -61.640 flat angles C4'-P-C4' energy: -51.011 flat angles P-C4'-P energy: -24.817 tors. eta vs tors. theta energy: 10.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1108.323461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.323461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.323461 (E_RNA) where: Base-Base interactions energy: -765.067 where: short stacking energy: -295.991 Base-Backbone interact. energy: -2.906 local terms energy: -340.350485 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -68.421 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -87.411 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: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1075.016321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.016321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.016321 (E_RNA) where: Base-Base interactions energy: -718.757 where: short stacking energy: -311.752 Base-Backbone interact. energy: -0.008 local terms energy: -356.251545 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -94.611 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: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1079.709467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.709467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.709467 (E_RNA) where: Base-Base interactions energy: -741.280 where: short stacking energy: -322.418 Base-Backbone interact. energy: 0.091 local terms energy: -338.520835 where: bonds (distance) C4'-P energy: -56.865 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -67.393 flat angles P-C4'-P energy: -49.576 tors. eta vs tors. theta energy: -95.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -990.054871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.054871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.054871 (E_RNA) where: Base-Base interactions energy: -685.098 where: short stacking energy: -265.626 Base-Backbone interact. energy: -0.974 local terms energy: -303.983170 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -61.419 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -67.298 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: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -952.971259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.971259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.971259 (E_RNA) where: Base-Base interactions energy: -651.308 where: short stacking energy: -288.169 Base-Backbone interact. energy: -1.097 local terms energy: -300.566128 where: bonds (distance) C4'-P energy: -47.682 bonds (distance) P-C4' energy: -64.867 flat angles C4'-P-C4' energy: -56.309 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -81.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -726.015552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.015552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.015552 (E_RNA) where: Base-Base interactions energy: -448.927 where: short stacking energy: -227.743 Base-Backbone interact. energy: -1.593 local terms energy: -275.495725 where: bonds (distance) C4'-P energy: -44.342 bonds (distance) P-C4' energy: -58.679 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -62.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -681.324669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.324669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.324669 (E_RNA) where: Base-Base interactions energy: -435.685 where: short stacking energy: -196.945 Base-Backbone interact. energy: -1.216 local terms energy: -244.423615 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -57.165 flat angles C4'-P-C4' energy: -63.781 flat angles P-C4'-P energy: -31.960 tors. eta vs tors. theta energy: -34.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -594.711546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.711546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.711546 (E_RNA) where: Base-Base interactions energy: -354.406 where: short stacking energy: -167.313 Base-Backbone interact. energy: -3.626 local terms energy: -236.679797 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -63.648 flat angles C4'-P-C4' energy: -54.547 flat angles P-C4'-P energy: -28.839 tors. eta vs tors. theta energy: -35.191 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: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -405.924143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.924143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.924143 (E_RNA) where: Base-Base interactions energy: -195.499 where: short stacking energy: -110.200 Base-Backbone interact. energy: -0.631 local terms energy: -209.793729 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -49.257 flat angles C4'-P-C4' energy: -60.147 flat angles P-C4'-P energy: -39.331 tors. eta vs tors. theta energy: -8.241 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: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -321.020262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.020262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.020262 (E_RNA) where: Base-Base interactions energy: -148.336 where: short stacking energy: -89.053 Base-Backbone interact. energy: 1.171 local terms energy: -173.855304 where: bonds (distance) C4'-P energy: -49.162 bonds (distance) P-C4' energy: -55.575 flat angles C4'-P-C4' energy: -38.289 flat angles P-C4'-P energy: -29.071 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1127.303607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.303607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.303607 (E_RNA) where: Base-Base interactions energy: -771.385 where: short stacking energy: -298.941 Base-Backbone interact. energy: -3.504 local terms energy: -352.414256 where: bonds (distance) C4'-P energy: -68.978 bonds (distance) P-C4' energy: -69.899 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -45.958 tors. eta vs tors. theta energy: -98.156 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: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1085.145744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.145744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.145744 (E_RNA) where: Base-Base interactions energy: -753.586 where: short stacking energy: -313.177 Base-Backbone interact. energy: -1.315 local terms energy: -330.244329 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -60.471 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: -93.589 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: 3, replica: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1077.869775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.869775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.869775 (E_RNA) where: Base-Base interactions energy: -740.908 where: short stacking energy: -319.232 Base-Backbone interact. energy: -1.811 local terms energy: -335.150940 where: bonds (distance) C4'-P energy: -55.478 bonds (distance) P-C4' energy: -64.493 flat angles C4'-P-C4' energy: -68.829 flat angles P-C4'-P energy: -44.817 tors. eta vs tors. theta energy: -101.534 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: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -968.700323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.700323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.700323 (E_RNA) where: Base-Base interactions energy: -667.417 where: short stacking energy: -277.159 Base-Backbone interact. energy: -1.867 local terms energy: -299.416290 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -61.432 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -72.878 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: 472 Temperature: 1.100000 Total energy: -910.449675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.449675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.449675 (E_RNA) where: Base-Base interactions energy: -606.244 where: short stacking energy: -264.968 Base-Backbone interact. energy: -0.260 local terms energy: -303.946416 where: bonds (distance) C4'-P energy: -61.623 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -40.130 tors. eta vs tors. theta energy: -81.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -696.824130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.824130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.824130 (E_RNA) where: Base-Base interactions energy: -418.604 where: short stacking energy: -216.862 Base-Backbone interact. energy: -0.012 local terms energy: -278.208317 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -60.413 flat angles C4'-P-C4' energy: -66.799 flat angles P-C4'-P energy: -39.006 tors. eta vs tors. theta energy: -53.259 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -532.836374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.836374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.836374 (E_RNA) where: Base-Base interactions energy: -291.630 where: short stacking energy: -148.156 Base-Backbone interact. energy: 1.994 local terms energy: -243.200252 where: bonds (distance) C4'-P energy: -53.931 bonds (distance) P-C4' energy: -68.336 flat angles C4'-P-C4' energy: -45.272 flat angles P-C4'-P energy: -43.440 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: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -676.174814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.174814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.174814 (E_RNA) where: Base-Base interactions energy: -407.532 where: short stacking energy: -173.918 Base-Backbone interact. energy: 1.419 local terms energy: -270.061649 where: bonds (distance) C4'-P energy: -53.246 bonds (distance) P-C4' energy: -67.957 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -47.221 tors. eta vs tors. theta energy: -42.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -404.318036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.318036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.318036 (E_RNA) where: Base-Base interactions energy: -204.361 where: short stacking energy: -127.283 Base-Backbone interact. energy: -1.725 local terms energy: -198.231753 where: bonds (distance) C4'-P energy: -53.413 bonds (distance) P-C4' energy: -49.253 flat angles C4'-P-C4' energy: -50.678 flat angles P-C4'-P energy: -29.861 tors. eta vs tors. theta energy: -15.026 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: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -319.799189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.799189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.799189 (E_RNA) where: Base-Base interactions energy: -150.006 where: short stacking energy: -95.896 Base-Backbone interact. energy: 2.008 local terms energy: -171.800709 where: bonds (distance) C4'-P energy: -49.567 bonds (distance) P-C4' energy: -46.424 flat angles C4'-P-C4' energy: -40.238 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: 0.661 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: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1126.968477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.968477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.968477 (E_RNA) where: Base-Base interactions energy: -789.659 where: short stacking energy: -320.850 Base-Backbone interact. energy: -3.331 local terms energy: -333.978058 where: bonds (distance) C4'-P energy: -59.818 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -68.867 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -92.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1125.514748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.514748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.514748 (E_RNA) where: Base-Base interactions energy: -764.399 where: short stacking energy: -332.295 Base-Backbone interact. energy: 0.048 local terms energy: -361.163811 where: bonds (distance) C4'-P energy: -67.248 bonds (distance) P-C4' energy: -61.040 flat angles C4'-P-C4' energy: -78.148 flat angles P-C4'-P energy: -49.991 tors. eta vs tors. theta energy: -104.736 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: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1056.382063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.382063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.382063 (E_RNA) where: Base-Base interactions energy: -731.530 where: short stacking energy: -323.423 Base-Backbone interact. energy: -0.417 local terms energy: -324.435615 where: bonds (distance) C4'-P energy: -52.716 bonds (distance) P-C4' energy: -60.685 flat angles C4'-P-C4' energy: -75.990 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -91.445 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: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -993.135195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.135195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.135195 (E_RNA) where: Base-Base interactions energy: -668.090 where: short stacking energy: -301.955 Base-Backbone interact. energy: -0.604 local terms energy: -324.441127 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -51.357 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -90.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -960.004693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.004693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.004693 (E_RNA) where: Base-Base interactions energy: -677.714 where: short stacking energy: -278.953 Base-Backbone interact. energy: -0.941 local terms energy: -281.348896 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -53.533 flat angles C4'-P-C4' energy: -58.833 flat angles P-C4'-P energy: -37.886 tors. eta vs tors. theta energy: -69.601 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: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -746.450436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.450436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.450436 (E_RNA) where: Base-Base interactions energy: -468.803 where: short stacking energy: -230.809 Base-Backbone interact. energy: -0.689 local terms energy: -276.958363 where: bonds (distance) C4'-P energy: -52.888 bonds (distance) P-C4' energy: -55.994 flat angles C4'-P-C4' energy: -58.751 flat angles P-C4'-P energy: -40.488 tors. eta vs tors. theta energy: -68.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -540.613234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.613234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.613234 (E_RNA) where: Base-Base interactions energy: -312.689 where: short stacking energy: -152.078 Base-Backbone interact. energy: -1.430 local terms energy: -226.494329 where: bonds (distance) C4'-P energy: -46.252 bonds (distance) P-C4' energy: -61.210 flat angles C4'-P-C4' energy: -52.787 flat angles P-C4'-P energy: -29.575 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: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -728.246187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.246187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.246187 (E_RNA) where: Base-Base interactions energy: -485.472 where: short stacking energy: -213.457 Base-Backbone interact. energy: 2.224 local terms energy: -244.999027 where: bonds (distance) C4'-P energy: -43.873 bonds (distance) P-C4' energy: -54.026 flat angles C4'-P-C4' energy: -59.075 flat angles P-C4'-P energy: -36.786 tors. eta vs tors. theta energy: -51.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -423.714668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.714668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.714668 (E_RNA) where: Base-Base interactions energy: -229.894 where: short stacking energy: -127.731 Base-Backbone interact. energy: -0.117 local terms energy: -193.703819 where: bonds (distance) C4'-P energy: -36.869 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -51.520 flat angles P-C4'-P energy: -26.793 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -321.553314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.553314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.553314 (E_RNA) where: Base-Base interactions energy: -162.388 where: short stacking energy: -85.000 Base-Backbone interact. energy: -1.415 local terms energy: -157.749964 where: bonds (distance) C4'-P energy: -57.825 bonds (distance) P-C4' energy: -50.376 flat angles C4'-P-C4' energy: -35.538 flat angles P-C4'-P energy: -16.810 tors. eta vs tors. theta energy: 2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1131.753844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.753844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.753844 (E_RNA) where: Base-Base interactions energy: -784.302 where: short stacking energy: -323.706 Base-Backbone interact. energy: -2.426 local terms energy: -345.025914 where: bonds (distance) C4'-P energy: -69.359 bonds (distance) P-C4' energy: -64.181 flat angles C4'-P-C4' energy: -77.475 flat angles P-C4'-P energy: -39.063 tors. eta vs tors. theta energy: -94.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1115.041248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.041248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.041248 (E_RNA) where: Base-Base interactions energy: -766.073 where: short stacking energy: -337.888 Base-Backbone interact. energy: -1.938 local terms energy: -347.030017 where: bonds (distance) C4'-P energy: -61.832 bonds (distance) P-C4' energy: -67.061 flat angles C4'-P-C4' energy: -72.224 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: -97.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1040.073147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.073147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.073147 (E_RNA) where: Base-Base interactions energy: -709.924 where: short stacking energy: -303.385 Base-Backbone interact. energy: 5.369 local terms energy: -335.517675 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -75.212 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -88.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1001.393616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.393616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.393616 (E_RNA) where: Base-Base interactions energy: -671.744 where: short stacking energy: -291.139 Base-Backbone interact. energy: -1.033 local terms energy: -328.616813 where: bonds (distance) C4'-P energy: -62.896 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -62.779 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -97.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -931.070605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.070605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.070605 (E_RNA) where: Base-Base interactions energy: -641.964 where: short stacking energy: -269.070 Base-Backbone interact. energy: -0.015 local terms energy: -289.091186 where: bonds (distance) C4'-P energy: -51.100 bonds (distance) P-C4' energy: -67.243 flat angles C4'-P-C4' energy: -59.916 flat angles P-C4'-P energy: -36.401 tors. eta vs tors. theta energy: -74.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -796.993526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.993526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.993526 (E_RNA) where: Base-Base interactions energy: -516.597 where: short stacking energy: -240.175 Base-Backbone interact. energy: -0.332 local terms energy: -280.064977 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -58.428 flat angles C4'-P-C4' energy: -58.830 flat angles P-C4'-P energy: -42.292 tors. eta vs tors. theta energy: -59.503 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: 3 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -717.100113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.100113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.100113 (E_RNA) where: Base-Base interactions energy: -457.691 where: short stacking energy: -196.690 Base-Backbone interact. energy: -0.469 local terms energy: -258.940541 where: bonds (distance) C4'-P energy: -58.014 bonds (distance) P-C4' energy: -61.213 flat angles C4'-P-C4' energy: -61.387 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -38.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -474.452956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.452956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.452956 (E_RNA) where: Base-Base interactions energy: -260.371 where: short stacking energy: -150.406 Base-Backbone interact. energy: 1.527 local terms energy: -215.608376 where: bonds (distance) C4'-P energy: -47.185 bonds (distance) P-C4' energy: -54.614 flat angles C4'-P-C4' energy: -50.807 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -19.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -425.984217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.984217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.984217 (E_RNA) where: Base-Base interactions energy: -224.796 where: short stacking energy: -125.112 Base-Backbone interact. energy: -0.559 local terms energy: -200.629934 where: bonds (distance) C4'-P energy: -56.952 bonds (distance) P-C4' energy: -45.902 flat angles C4'-P-C4' energy: -51.824 flat angles P-C4'-P energy: -25.366 tors. eta vs tors. theta energy: -20.586 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: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -311.756483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.756483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.756483 (E_RNA) where: Base-Base interactions energy: -141.555 where: short stacking energy: -90.874 Base-Backbone interact. energy: 3.533 local terms energy: -173.734521 where: bonds (distance) C4'-P energy: -50.216 bonds (distance) P-C4' energy: -57.370 flat angles C4'-P-C4' energy: -53.281 flat angles P-C4'-P energy: -27.446 tors. eta vs tors. theta energy: 14.578 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: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1117.512164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.512164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.512164 (E_RNA) where: Base-Base interactions energy: -782.926 where: short stacking energy: -314.163 Base-Backbone interact. energy: -1.974 local terms energy: -332.612881 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -62.422 flat angles C4'-P-C4' energy: -69.869 flat angles P-C4'-P energy: -54.613 tors. eta vs tors. theta energy: -86.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1110.020715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.020715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.020715 (E_RNA) where: Base-Base interactions energy: -762.894 where: short stacking energy: -325.835 Base-Backbone interact. energy: -0.567 local terms energy: -346.559028 where: bonds (distance) C4'-P energy: -63.444 bonds (distance) P-C4' energy: -63.502 flat angles C4'-P-C4' energy: -75.017 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -100.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1056.178972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.178972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.178972 (E_RNA) where: Base-Base interactions energy: -713.446 where: short stacking energy: -302.812 Base-Backbone interact. energy: -0.102 local terms energy: -342.630941 where: bonds (distance) C4'-P energy: -62.140 bonds (distance) P-C4' energy: -69.898 flat angles C4'-P-C4' energy: -68.483 flat angles P-C4'-P energy: -49.241 tors. eta vs tors. theta energy: -92.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -957.661266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.661266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.661266 (E_RNA) where: Base-Base interactions energy: -646.860 where: short stacking energy: -270.144 Base-Backbone interact. energy: -0.492 local terms energy: -310.308607 where: bonds (distance) C4'-P energy: -54.467 bonds (distance) P-C4' energy: -69.758 flat angles C4'-P-C4' energy: -62.110 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -81.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -928.976687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.976687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.976687 (E_RNA) where: Base-Base interactions energy: -623.568 where: short stacking energy: -283.001 Base-Backbone interact. energy: -0.068 local terms energy: -305.341052 where: bonds (distance) C4'-P energy: -53.903 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -73.210 flat angles P-C4'-P energy: -42.814 tors. eta vs tors. theta energy: -80.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -810.551974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.551974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.551974 (E_RNA) where: Base-Base interactions energy: -520.358 where: short stacking energy: -225.828 Base-Backbone interact. energy: 0.986 local terms energy: -291.179494 where: bonds (distance) C4'-P energy: -56.131 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -66.948 flat angles P-C4'-P energy: -51.313 tors. eta vs tors. theta energy: -55.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -769.321902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.321902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.321902 (E_RNA) where: Base-Base interactions energy: -527.747 where: short stacking energy: -238.961 Base-Backbone interact. energy: -0.614 local terms energy: -240.960628 where: bonds (distance) C4'-P energy: -38.913 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -29.641 tors. eta vs tors. theta energy: -57.210 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: 475 Temperature: 1.250000 Total energy: -464.716889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.716889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.716889 (E_RNA) where: Base-Base interactions energy: -246.553 where: short stacking energy: -138.513 Base-Backbone interact. energy: 0.378 local terms energy: -218.541916 where: bonds (distance) C4'-P energy: -48.552 bonds (distance) P-C4' energy: -50.659 flat angles C4'-P-C4' energy: -57.916 flat angles P-C4'-P energy: -32.756 tors. eta vs tors. theta energy: -28.659 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: 475 Temperature: 1.300000 Total energy: -489.602407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.602407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.602407 (E_RNA) where: Base-Base interactions energy: -287.181 where: short stacking energy: -137.580 Base-Backbone interact. energy: 2.535 local terms energy: -204.956449 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -49.845 flat angles C4'-P-C4' energy: -53.721 flat angles P-C4'-P energy: -23.502 tors. eta vs tors. theta energy: -15.682 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: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -319.188697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.188697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.188697 (E_RNA) where: Base-Base interactions energy: -124.848 where: short stacking energy: -93.158 Base-Backbone interact. energy: 3.681 local terms energy: -198.021789 where: bonds (distance) C4'-P energy: -56.757 bonds (distance) P-C4' energy: -59.257 flat angles C4'-P-C4' energy: -46.841 flat angles P-C4'-P energy: -32.026 tors. eta vs tors. theta energy: -3.141 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: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1137.827134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.827134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.827134 (E_RNA) where: Base-Base interactions energy: -806.066 where: short stacking energy: -326.093 Base-Backbone interact. energy: -2.051 local terms energy: -329.710207 where: bonds (distance) C4'-P energy: -66.066 bonds (distance) P-C4' energy: -59.598 flat angles C4'-P-C4' energy: -64.983 flat angles P-C4'-P energy: -45.040 tors. eta vs tors. theta energy: -94.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1104.361019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.361019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.361019 (E_RNA) where: Base-Base interactions energy: -749.069 where: short stacking energy: -323.453 Base-Backbone interact. energy: -1.801 local terms energy: -353.490951 where: bonds (distance) C4'-P energy: -67.125 bonds (distance) P-C4' energy: -67.393 flat angles C4'-P-C4' energy: -68.293 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -101.080 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: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1043.601825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.601825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.601825 (E_RNA) where: Base-Base interactions energy: -715.707 where: short stacking energy: -304.926 Base-Backbone interact. energy: -1.347 local terms energy: -326.547870 where: bonds (distance) C4'-P energy: -59.130 bonds (distance) P-C4' energy: -68.150 flat angles C4'-P-C4' energy: -67.958 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -80.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -972.820287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.820287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.820287 (E_RNA) where: Base-Base interactions energy: -668.543 where: short stacking energy: -258.021 Base-Backbone interact. energy: 4.520 local terms energy: -308.797724 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -65.720 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -43.301 tors. eta vs tors. theta energy: -69.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -975.251451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.251451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.251451 (E_RNA) where: Base-Base interactions energy: -642.662 where: short stacking energy: -277.557 Base-Backbone interact. energy: -1.690 local terms energy: -330.899153 where: bonds (distance) C4'-P energy: -61.924 bonds (distance) P-C4' energy: -70.312 flat angles C4'-P-C4' energy: -68.430 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -89.446 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: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -836.442748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.442748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.442748 (E_RNA) where: Base-Base interactions energy: -545.445 where: short stacking energy: -241.737 Base-Backbone interact. energy: -0.301 local terms energy: -290.697235 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -61.628 flat angles C4'-P-C4' energy: -60.949 flat angles P-C4'-P energy: -35.451 tors. eta vs tors. theta energy: -76.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -756.951048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.951048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.951048 (E_RNA) where: Base-Base interactions energy: -508.617 where: short stacking energy: -210.521 Base-Backbone interact. energy: -0.361 local terms energy: -247.973076 where: bonds (distance) C4'-P energy: -43.624 bonds (distance) P-C4' energy: -53.194 flat angles C4'-P-C4' energy: -57.106 flat angles P-C4'-P energy: -42.902 tors. eta vs tors. theta energy: -51.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -559.461436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.461436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.461436 (E_RNA) where: Base-Base interactions energy: -345.693 where: short stacking energy: -153.973 Base-Backbone interact. energy: -3.850 local terms energy: -209.918774 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -44.972 flat angles C4'-P-C4' energy: -47.315 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -19.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -479.593158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.593158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.593158 (E_RNA) where: Base-Base interactions energy: -274.015 where: short stacking energy: -126.380 Base-Backbone interact. energy: -0.892 local terms energy: -204.685705 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -51.843 flat angles C4'-P-C4' energy: -53.966 flat angles P-C4'-P energy: -26.796 tors. eta vs tors. theta energy: -18.726 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: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -317.807929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.807929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.807929 (E_RNA) where: Base-Base interactions energy: -127.635 where: short stacking energy: -86.488 Base-Backbone interact. energy: 1.045 local terms energy: -191.217862 where: bonds (distance) C4'-P energy: -62.296 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -50.332 flat angles P-C4'-P energy: -20.476 tors. eta vs tors. theta energy: 3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1108.635391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.635391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.635391 (E_RNA) where: Base-Base interactions energy: -761.787 where: short stacking energy: -315.291 Base-Backbone interact. energy: -1.907 local terms energy: -344.941162 where: bonds (distance) C4'-P energy: -67.659 bonds (distance) P-C4' energy: -60.450 flat angles C4'-P-C4' energy: -76.268 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -92.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1082.204721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.204721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.204721 (E_RNA) where: Base-Base interactions energy: -737.752 where: short stacking energy: -314.446 Base-Backbone interact. energy: 0.430 local terms energy: -344.882817 where: bonds (distance) C4'-P energy: -72.961 bonds (distance) P-C4' energy: -61.270 flat angles C4'-P-C4' energy: -73.929 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -92.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1069.730181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.730181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.730181 (E_RNA) where: Base-Base interactions energy: -727.269 where: short stacking energy: -296.614 Base-Backbone interact. energy: -2.246 local terms energy: -340.214496 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -77.682 flat angles P-C4'-P energy: -44.974 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: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -981.207525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.207525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.207525 (E_RNA) where: Base-Base interactions energy: -669.810 where: short stacking energy: -282.553 Base-Backbone interact. energy: -1.899 local terms energy: -309.498943 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -56.595 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -83.024 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: 6 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -956.451402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.451402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.451402 (E_RNA) where: Base-Base interactions energy: -641.829 where: short stacking energy: -291.254 Base-Backbone interact. energy: -1.644 local terms energy: -312.978611 where: bonds (distance) C4'-P energy: -61.436 bonds (distance) P-C4' energy: -67.378 flat angles C4'-P-C4' energy: -57.249 flat angles P-C4'-P energy: -39.764 tors. eta vs tors. theta energy: -87.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -849.167074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.167074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.167074 (E_RNA) where: Base-Base interactions energy: -576.007 where: short stacking energy: -244.501 Base-Backbone interact. energy: -3.024 local terms energy: -270.136667 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -52.476 flat angles C4'-P-C4' energy: -61.056 flat angles P-C4'-P energy: -39.382 tors. eta vs tors. theta energy: -59.632 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: 3 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -697.239567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.239567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.239567 (E_RNA) where: Base-Base interactions energy: -449.404 where: short stacking energy: -202.290 Base-Backbone interact. energy: 0.680 local terms energy: -248.516376 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -63.376 flat angles C4'-P-C4' energy: -47.682 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -42.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -533.261061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.261061 (E_RNA) where: Base-Base interactions energy: -317.907 where: short stacking energy: -167.044 Base-Backbone interact. energy: -1.140 local terms energy: -214.214032 where: bonds (distance) C4'-P energy: -50.350 bonds (distance) P-C4' energy: -51.004 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -27.877 tors. eta vs tors. theta energy: -25.799 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: 9, replica: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -466.310500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.310500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.310500 (E_RNA) where: Base-Base interactions energy: -272.738 where: short stacking energy: -135.484 Base-Backbone interact. energy: 2.992 local terms energy: -196.564432 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -44.183 flat angles C4'-P-C4' energy: -42.922 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -270.499251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.499251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.499251 (E_RNA) where: Base-Base interactions energy: -104.815 where: short stacking energy: -89.346 Base-Backbone interact. energy: 0.245 local terms energy: -165.929843 where: bonds (distance) C4'-P energy: -42.064 bonds (distance) P-C4' energy: -62.048 flat angles C4'-P-C4' energy: -45.432 flat angles P-C4'-P energy: -20.270 tors. eta vs tors. theta energy: 3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1125.657241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.657241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.657241 (E_RNA) where: Base-Base interactions energy: -794.012 where: short stacking energy: -325.012 Base-Backbone interact. energy: -2.545 local terms energy: -329.100687 where: bonds (distance) C4'-P energy: -58.099 bonds (distance) P-C4' energy: -64.213 flat angles C4'-P-C4' energy: -73.970 flat angles P-C4'-P energy: -41.303 tors. eta vs tors. theta energy: -91.516 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: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1069.269323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.269323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.269323 (E_RNA) where: Base-Base interactions energy: -736.262 where: short stacking energy: -320.356 Base-Backbone interact. energy: -1.088 local terms energy: -331.918700 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -66.963 flat angles C4'-P-C4' energy: -66.442 flat angles P-C4'-P energy: -39.944 tors. eta vs tors. theta energy: -95.774 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: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1079.057847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.057847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.057847 (E_RNA) where: Base-Base interactions energy: -753.086 where: short stacking energy: -336.306 Base-Backbone interact. energy: -1.555 local terms energy: -324.416825 where: bonds (distance) C4'-P energy: -55.964 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -68.774 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -95.223 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: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -949.746470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.746470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.746470 (E_RNA) where: Base-Base interactions energy: -657.994 where: short stacking energy: -281.498 Base-Backbone interact. energy: -0.637 local terms energy: -291.115371 where: bonds (distance) C4'-P energy: -46.285 bonds (distance) P-C4' energy: -57.992 flat angles C4'-P-C4' energy: -61.616 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -75.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -943.574168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.574168 (E_RNA) where: Base-Base interactions energy: -635.753 where: short stacking energy: -306.182 Base-Backbone interact. energy: -2.325 local terms energy: -305.495471 where: bonds (distance) C4'-P energy: -50.051 bonds (distance) P-C4' energy: -55.057 flat angles C4'-P-C4' energy: -66.631 flat angles P-C4'-P energy: -38.390 tors. eta vs tors. theta energy: -95.366 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: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -868.837476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.837476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.837476 (E_RNA) where: Base-Base interactions energy: -579.984 where: short stacking energy: -246.788 Base-Backbone interact. energy: 1.684 local terms energy: -290.537749 where: bonds (distance) C4'-P energy: -53.589 bonds (distance) P-C4' energy: -58.360 flat angles C4'-P-C4' energy: -63.184 flat angles P-C4'-P energy: -43.822 tors. eta vs tors. theta energy: -71.583 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: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -715.567326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.567326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.567326 (E_RNA) where: Base-Base interactions energy: -457.442 where: short stacking energy: -204.387 Base-Backbone interact. energy: -0.808 local terms energy: -257.316853 where: bonds (distance) C4'-P energy: -43.609 bonds (distance) P-C4' energy: -75.260 flat angles C4'-P-C4' energy: -53.848 flat angles P-C4'-P energy: -31.410 tors. eta vs tors. theta energy: -53.190 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: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -520.534915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.534915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.534915 (E_RNA) where: Base-Base interactions energy: -304.089 where: short stacking energy: -163.232 Base-Backbone interact. energy: -0.417 local terms energy: -216.029168 where: bonds (distance) C4'-P energy: -52.487 bonds (distance) P-C4' energy: -60.008 flat angles C4'-P-C4' energy: -46.544 flat angles P-C4'-P energy: -35.008 tors. eta vs tors. theta energy: -21.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -504.057738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.057738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.057738 (E_RNA) where: Base-Base interactions energy: -298.127 where: short stacking energy: -144.407 Base-Backbone interact. energy: -0.698 local terms energy: -205.232511 where: bonds (distance) C4'-P energy: -59.413 bonds (distance) P-C4' energy: -51.996 flat angles C4'-P-C4' energy: -45.810 flat angles P-C4'-P energy: -32.076 tors. eta vs tors. theta energy: -15.938 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: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -251.490624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.490624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.490624 (E_RNA) where: Base-Base interactions energy: -93.628 where: short stacking energy: -81.564 Base-Backbone interact. energy: -0.793 local terms energy: -157.069467 where: bonds (distance) C4'-P energy: -42.276 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -28.583 flat angles P-C4'-P energy: -26.257 tors. eta vs tors. theta energy: 5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1106.972025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.972025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.972025 (E_RNA) where: Base-Base interactions energy: -763.171 where: short stacking energy: -318.096 Base-Backbone interact. energy: 0.587 local terms energy: -344.387591 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -62.002 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -52.838 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: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1097.101878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.101878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.101878 (E_RNA) where: Base-Base interactions energy: -742.499 where: short stacking energy: -325.337 Base-Backbone interact. energy: 0.002 local terms energy: -354.604433 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -72.623 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -100.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1078.916781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.916781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.916781 (E_RNA) where: Base-Base interactions energy: -748.161 where: short stacking energy: -301.634 Base-Backbone interact. energy: -0.321 local terms energy: -330.434836 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -69.190 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -93.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -975.729236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.729236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.729236 (E_RNA) where: Base-Base interactions energy: -657.962 where: short stacking energy: -294.195 Base-Backbone interact. energy: 1.267 local terms energy: -319.034450 where: bonds (distance) C4'-P energy: -59.985 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -56.997 flat angles P-C4'-P energy: -43.759 tors. eta vs tors. theta energy: -99.634 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: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -926.151886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.151886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.151886 (E_RNA) where: Base-Base interactions energy: -633.999 where: short stacking energy: -286.005 Base-Backbone interact. energy: 5.638 local terms energy: -297.790885 where: bonds (distance) C4'-P energy: -57.267 bonds (distance) P-C4' energy: -46.853 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -81.916 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: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -846.968513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.968513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.968513 (E_RNA) where: Base-Base interactions energy: -570.958 where: short stacking energy: -252.412 Base-Backbone interact. energy: -2.464 local terms energy: -273.546161 where: bonds (distance) C4'-P energy: -54.840 bonds (distance) P-C4' energy: -42.717 flat angles C4'-P-C4' energy: -67.338 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -67.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -732.360193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.360193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.360193 (E_RNA) where: Base-Base interactions energy: -460.951 where: short stacking energy: -215.314 Base-Backbone interact. energy: 0.923 local terms energy: -272.332661 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -55.728 flat angles C4'-P-C4' energy: -61.455 flat angles P-C4'-P energy: -39.373 tors. eta vs tors. theta energy: -53.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -546.690704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.690704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.690704 (E_RNA) where: Base-Base interactions energy: -327.581 where: short stacking energy: -163.036 Base-Backbone interact. energy: 0.731 local terms energy: -219.840728 where: bonds (distance) C4'-P energy: -56.021 bonds (distance) P-C4' energy: -48.698 flat angles C4'-P-C4' energy: -53.108 flat angles P-C4'-P energy: -40.660 tors. eta vs tors. theta energy: -21.354 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: 479 Temperature: 1.300000 Total energy: -453.827725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.827725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.827725 (E_RNA) where: Base-Base interactions energy: -245.161 where: short stacking energy: -130.831 Base-Backbone interact. energy: 0.098 local terms energy: -208.764919 where: bonds (distance) C4'-P energy: -52.846 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -59.447 flat angles P-C4'-P energy: -17.604 tors. eta vs tors. theta energy: -18.400 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: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -309.143791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.143791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.143791 (E_RNA) where: Base-Base interactions energy: -127.315 where: short stacking energy: -79.236 Base-Backbone interact. energy: 0.551 local terms energy: -182.380227 where: bonds (distance) C4'-P energy: -54.787 bonds (distance) P-C4' energy: -58.744 flat angles C4'-P-C4' energy: -43.106 flat angles P-C4'-P energy: -22.998 tors. eta vs tors. theta energy: -2.746 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: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1104.024999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.024999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.024999 (E_RNA) where: Base-Base interactions energy: -745.239 where: short stacking energy: -318.917 Base-Backbone interact. energy: 1.014 local terms energy: -359.800289 where: bonds (distance) C4'-P energy: -66.834 bonds (distance) P-C4' energy: -70.820 flat angles C4'-P-C4' energy: -72.613 flat angles P-C4'-P energy: -53.007 tors. eta vs tors. theta energy: -96.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1072.400293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.400293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.400293 (E_RNA) where: Base-Base interactions energy: -742.918 where: short stacking energy: -308.536 Base-Backbone interact. energy: -2.479 local terms energy: -327.002779 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -55.144 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -87.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1067.158394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.158394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.158394 (E_RNA) where: Base-Base interactions energy: -744.362 where: short stacking energy: -301.854 Base-Backbone interact. energy: -2.110 local terms energy: -320.686392 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -63.942 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -93.147 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: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -955.844733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.844733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.844733 (E_RNA) where: Base-Base interactions energy: -649.589 where: short stacking energy: -285.034 Base-Backbone interact. energy: -0.763 local terms energy: -305.492620 where: bonds (distance) C4'-P energy: -64.706 bonds (distance) P-C4' energy: -60.520 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -47.286 tors. eta vs tors. theta energy: -74.071 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: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -924.359852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.359852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.359852 (E_RNA) where: Base-Base interactions energy: -630.642 where: short stacking energy: -277.505 Base-Backbone interact. energy: -2.124 local terms energy: -291.594239 where: bonds (distance) C4'-P energy: -60.198 bonds (distance) P-C4' energy: -47.840 flat angles C4'-P-C4' energy: -60.486 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: -82.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -944.337462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.337462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.337462 (E_RNA) where: Base-Base interactions energy: -641.104 where: short stacking energy: -262.783 Base-Backbone interact. energy: -0.590 local terms energy: -302.644175 where: bonds (distance) C4'-P energy: -62.308 bonds (distance) P-C4' energy: -56.778 flat angles C4'-P-C4' energy: -63.073 flat angles P-C4'-P energy: -48.158 tors. eta vs tors. theta energy: -72.328 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: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -731.981911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.981911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.981911 (E_RNA) where: Base-Base interactions energy: -450.011 where: short stacking energy: -193.261 Base-Backbone interact. energy: -0.308 local terms energy: -281.662699 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -63.734 flat angles C4'-P-C4' energy: -58.074 flat angles P-C4'-P energy: -38.400 tors. eta vs tors. theta energy: -54.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -535.231905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.231905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.231905 (E_RNA) where: Base-Base interactions energy: -315.591 where: short stacking energy: -164.715 Base-Backbone interact. energy: 2.240 local terms energy: -221.880578 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -61.867 flat angles C4'-P-C4' energy: -42.466 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: -32.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -450.570583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.570583 (E_RNA) where: Base-Base interactions energy: -252.681 where: short stacking energy: -147.344 Base-Backbone interact. energy: -1.089 local terms energy: -196.800524 where: bonds (distance) C4'-P energy: -37.769 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -45.563 flat angles P-C4'-P energy: -34.544 tors. eta vs tors. theta energy: -15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -272.608997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.608997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.608997 (E_RNA) where: Base-Base interactions energy: -85.199 where: short stacking energy: -79.772 Base-Backbone interact. energy: 1.085 local terms energy: -188.494898 where: bonds (distance) C4'-P energy: -50.442 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -48.240 flat angles P-C4'-P energy: -28.671 tors. eta vs tors. theta energy: 1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1097.905357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.905357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.905357 (E_RNA) where: Base-Base interactions energy: -741.654 where: short stacking energy: -334.859 Base-Backbone interact. energy: -0.331 local terms energy: -355.919881 where: bonds (distance) C4'-P energy: -67.480 bonds (distance) P-C4' energy: -63.138 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -97.420 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: 2, replica: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1100.211921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.211921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.211921 (E_RNA) where: Base-Base interactions energy: -752.791 where: short stacking energy: -328.224 Base-Backbone interact. energy: 1.728 local terms energy: -349.149537 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -66.738 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -52.517 tors. eta vs tors. theta energy: -92.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1054.617064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.617064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.617064 (E_RNA) where: Base-Base interactions energy: -739.631 where: short stacking energy: -299.531 Base-Backbone interact. energy: -2.915 local terms energy: -312.071001 where: bonds (distance) C4'-P energy: -52.463 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -68.930 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -83.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -962.028477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.028477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.028477 (E_RNA) where: Base-Base interactions energy: -646.951 where: short stacking energy: -272.683 Base-Backbone interact. energy: 0.726 local terms energy: -315.803191 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -68.199 flat angles C4'-P-C4' energy: -63.438 flat angles P-C4'-P energy: -40.458 tors. eta vs tors. theta energy: -79.847 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: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -906.708899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.708899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.708899 (E_RNA) where: Base-Base interactions energy: -595.983 where: short stacking energy: -281.172 Base-Backbone interact. energy: -1.996 local terms energy: -308.729861 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -57.933 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -40.382 tors. eta vs tors. theta energy: -77.964 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: 481 Temperature: 1.150000 Total energy: -908.440415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.440415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.440415 (E_RNA) where: Base-Base interactions energy: -596.993 where: short stacking energy: -264.845 Base-Backbone interact. energy: -0.219 local terms energy: -311.228680 where: bonds (distance) C4'-P energy: -60.735 bonds (distance) P-C4' energy: -65.491 flat angles C4'-P-C4' energy: -65.329 flat angles P-C4'-P energy: -48.145 tors. eta vs tors. theta energy: -71.529 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: 7, replica: 3 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -705.895097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.895097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.895097 (E_RNA) where: Base-Base interactions energy: -454.913 where: short stacking energy: -202.390 Base-Backbone interact. energy: -1.667 local terms energy: -249.315212 where: bonds (distance) C4'-P energy: -56.172 bonds (distance) P-C4' energy: -51.463 flat angles C4'-P-C4' energy: -57.361 flat angles P-C4'-P energy: -35.808 tors. eta vs tors. theta energy: -48.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -566.365245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.365245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.365245 (E_RNA) where: Base-Base interactions energy: -342.309 where: short stacking energy: -154.378 Base-Backbone interact. energy: -3.675 local terms energy: -220.380881 where: bonds (distance) C4'-P energy: -52.026 bonds (distance) P-C4' energy: -46.859 flat angles C4'-P-C4' energy: -58.489 flat angles P-C4'-P energy: -36.788 tors. eta vs tors. theta energy: -26.219 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: 481 Temperature: 1.300000 Total energy: -457.498077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.498077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.498077 (E_RNA) where: Base-Base interactions energy: -248.221 where: short stacking energy: -136.707 Base-Backbone interact. energy: 0.950 local terms energy: -210.226421 where: bonds (distance) C4'-P energy: -40.465 bonds (distance) P-C4' energy: -57.878 flat angles C4'-P-C4' energy: -57.045 flat angles P-C4'-P energy: -33.175 tors. eta vs tors. theta energy: -21.664 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: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -275.852158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.852158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.852158 (E_RNA) where: Base-Base interactions energy: -92.714 where: short stacking energy: -77.698 Base-Backbone interact. energy: -0.375 local terms energy: -182.763624 where: bonds (distance) C4'-P energy: -47.224 bonds (distance) P-C4' energy: -50.494 flat angles C4'-P-C4' energy: -54.547 flat angles P-C4'-P energy: -27.814 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1143.855494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.855494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.855494 (E_RNA) where: Base-Base interactions energy: -787.109 where: short stacking energy: -350.900 Base-Backbone interact. energy: -0.922 local terms energy: -355.824488 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -76.786 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -103.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1098.256940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.256940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.256940 (E_RNA) where: Base-Base interactions energy: -761.550 where: short stacking energy: -327.478 Base-Backbone interact. energy: -1.081 local terms energy: -335.625874 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -95.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1046.967544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.967544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.967544 (E_RNA) where: Base-Base interactions energy: -725.277 where: short stacking energy: -306.743 Base-Backbone interact. energy: -0.215 local terms energy: -321.475667 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -64.300 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -80.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -956.328847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.328847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.328847 (E_RNA) where: Base-Base interactions energy: -660.332 where: short stacking energy: -266.951 Base-Backbone interact. energy: -0.535 local terms energy: -295.461263 where: bonds (distance) C4'-P energy: -62.928 bonds (distance) P-C4' energy: -53.063 flat angles C4'-P-C4' energy: -64.136 flat angles P-C4'-P energy: -40.825 tors. eta vs tors. theta energy: -74.509 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: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -910.403882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.403882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.403882 (E_RNA) where: Base-Base interactions energy: -601.423 where: short stacking energy: -287.915 Base-Backbone interact. energy: -1.579 local terms energy: -307.402403 where: bonds (distance) C4'-P energy: -52.077 bonds (distance) P-C4' energy: -60.354 flat angles C4'-P-C4' energy: -68.362 flat angles P-C4'-P energy: -38.137 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: 6, replica: 6 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -886.601706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.601706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.601706 (E_RNA) where: Base-Base interactions energy: -610.242 where: short stacking energy: -243.737 Base-Backbone interact. energy: 1.242 local terms energy: -277.601564 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -54.144 flat angles C4'-P-C4' energy: -72.471 flat angles P-C4'-P energy: -37.035 tors. eta vs tors. theta energy: -62.452 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: 3 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -699.323045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.323045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.323045 (E_RNA) where: Base-Base interactions energy: -434.912 where: short stacking energy: -201.485 Base-Backbone interact. energy: -1.023 local terms energy: -263.388623 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -55.315 flat angles C4'-P-C4' energy: -63.692 flat angles P-C4'-P energy: -38.595 tors. eta vs tors. theta energy: -45.918 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: 482 Temperature: 1.250000 Total energy: -593.347640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.347640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.347640 (E_RNA) where: Base-Base interactions energy: -362.672 where: short stacking energy: -176.232 Base-Backbone interact. energy: -1.438 local terms energy: -229.238000 where: bonds (distance) C4'-P energy: -63.277 bonds (distance) P-C4' energy: -52.501 flat angles C4'-P-C4' energy: -47.304 flat angles P-C4'-P energy: -28.190 tors. eta vs tors. theta energy: -37.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -456.135181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.135181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.135181 (E_RNA) where: Base-Base interactions energy: -232.175 where: short stacking energy: -125.337 Base-Backbone interact. energy: -2.960 local terms energy: -221.000317 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -52.955 flat angles C4'-P-C4' energy: -55.966 flat angles P-C4'-P energy: -36.896 tors. eta vs tors. theta energy: -12.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -288.374977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.374977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.374977 (E_RNA) where: Base-Base interactions energy: -123.244 where: short stacking energy: -92.283 Base-Backbone interact. energy: -0.498 local terms energy: -164.633312 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -51.444 flat angles C4'-P-C4' energy: -33.946 flat angles P-C4'-P energy: -25.705 tors. eta vs tors. theta energy: 2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1129.336963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.336963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.336963 (E_RNA) where: Base-Base interactions energy: -768.791 where: short stacking energy: -347.988 Base-Backbone interact. energy: -0.779 local terms energy: -359.767125 where: bonds (distance) C4'-P energy: -64.726 bonds (distance) P-C4' energy: -62.547 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -56.460 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: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1093.807158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.807158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.807158 (E_RNA) where: Base-Base interactions energy: -752.133 where: short stacking energy: -323.346 Base-Backbone interact. energy: -1.570 local terms energy: -340.104372 where: bonds (distance) C4'-P energy: -50.517 bonds (distance) P-C4' energy: -70.840 flat angles C4'-P-C4' energy: -65.051 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -105.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1056.324973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.324973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.324973 (E_RNA) where: Base-Base interactions energy: -746.850 where: short stacking energy: -286.599 Base-Backbone interact. energy: -1.678 local terms energy: -307.796629 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -65.854 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -80.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -971.819314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.819314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.819314 (E_RNA) where: Base-Base interactions energy: -657.334 where: short stacking energy: -289.641 Base-Backbone interact. energy: -0.256 local terms energy: -314.229126 where: bonds (distance) C4'-P energy: -60.068 bonds (distance) P-C4' energy: -58.782 flat angles C4'-P-C4' energy: -65.115 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -81.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -905.172275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.172275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.172275 (E_RNA) where: Base-Base interactions energy: -603.059 where: short stacking energy: -264.599 Base-Backbone interact. energy: -2.021 local terms energy: -300.091494 where: bonds (distance) C4'-P energy: -49.068 bonds (distance) P-C4' energy: -60.711 flat angles C4'-P-C4' energy: -69.107 flat angles P-C4'-P energy: -46.247 tors. eta vs tors. theta energy: -74.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -926.403848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.403848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.403848 (E_RNA) where: Base-Base interactions energy: -638.634 where: short stacking energy: -291.085 Base-Backbone interact. energy: 0.752 local terms energy: -288.522264 where: bonds (distance) C4'-P energy: -54.834 bonds (distance) P-C4' energy: -51.678 flat angles C4'-P-C4' energy: -65.830 flat angles P-C4'-P energy: -42.825 tors. eta vs tors. theta energy: -73.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -658.207402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.207402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.207402 (E_RNA) where: Base-Base interactions energy: -403.173 where: short stacking energy: -180.079 Base-Backbone interact. energy: 1.817 local terms energy: -256.851913 where: bonds (distance) C4'-P energy: -59.163 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -64.766 flat angles P-C4'-P energy: -28.965 tors. eta vs tors. theta energy: -50.945 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: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -551.962787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.962787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.962787 (E_RNA) where: Base-Base interactions energy: -321.112 where: short stacking energy: -171.088 Base-Backbone interact. energy: -0.032 local terms energy: -230.818659 where: bonds (distance) C4'-P energy: -61.066 bonds (distance) P-C4' energy: -51.513 flat angles C4'-P-C4' energy: -59.088 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -18.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -441.835881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.835881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.835881 (E_RNA) where: Base-Base interactions energy: -256.949 where: short stacking energy: -117.676 Base-Backbone interact. energy: -2.167 local terms energy: -182.720205 where: bonds (distance) C4'-P energy: -53.232 bonds (distance) P-C4' energy: -47.810 flat angles C4'-P-C4' energy: -49.180 flat angles P-C4'-P energy: -26.648 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -283.302366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.302366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.302366 (E_RNA) where: Base-Base interactions energy: -100.905 where: short stacking energy: -99.239 Base-Backbone interact. energy: -0.937 local terms energy: -181.459413 where: bonds (distance) C4'-P energy: -51.859 bonds (distance) P-C4' energy: -38.262 flat angles C4'-P-C4' energy: -54.919 flat angles P-C4'-P energy: -27.027 tors. eta vs tors. theta energy: -9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1107.776093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.776093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.776093 (E_RNA) where: Base-Base interactions energy: -765.614 where: short stacking energy: -331.223 Base-Backbone interact. energy: -1.518 local terms energy: -340.643624 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -62.658 flat angles C4'-P-C4' energy: -77.050 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -95.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1096.006324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.006324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.006324 (E_RNA) where: Base-Base interactions energy: -753.622 where: short stacking energy: -313.903 Base-Backbone interact. energy: -1.003 local terms energy: -341.380745 where: bonds (distance) C4'-P energy: -65.551 bonds (distance) P-C4' energy: -57.308 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: -99.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1090.461641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.461641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.461641 (E_RNA) where: Base-Base interactions energy: -766.984 where: short stacking energy: -303.273 Base-Backbone interact. energy: -2.365 local terms energy: -321.112776 where: bonds (distance) C4'-P energy: -60.126 bonds (distance) P-C4' energy: -67.123 flat angles C4'-P-C4' energy: -71.760 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -84.282 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: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -958.830837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.830837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.830837 (E_RNA) where: Base-Base interactions energy: -639.280 where: short stacking energy: -270.795 Base-Backbone interact. energy: -1.199 local terms energy: -318.351246 where: bonds (distance) C4'-P energy: -57.409 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -63.085 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -77.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -879.696615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.696615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.696615 (E_RNA) where: Base-Base interactions energy: -581.848 where: short stacking energy: -251.275 Base-Backbone interact. energy: -2.114 local terms energy: -295.734373 where: bonds (distance) C4'-P energy: -40.505 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: -78.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -912.502293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.502293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.502293 (E_RNA) where: Base-Base interactions energy: -615.683 where: short stacking energy: -259.844 Base-Backbone interact. energy: 4.811 local terms energy: -301.631013 where: bonds (distance) C4'-P energy: -50.760 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -72.619 flat angles P-C4'-P energy: -44.096 tors. eta vs tors. theta energy: -71.785 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: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -686.078144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.078144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.078144 (E_RNA) where: Base-Base interactions energy: -426.811 where: short stacking energy: -188.456 Base-Backbone interact. energy: 0.339 local terms energy: -259.606140 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -58.148 flat angles C4'-P-C4' energy: -59.590 flat angles P-C4'-P energy: -34.492 tors. eta vs tors. theta energy: -47.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -556.267796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.267796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.267796 (E_RNA) where: Base-Base interactions energy: -320.308 where: short stacking energy: -150.840 Base-Backbone interact. energy: -1.276 local terms energy: -234.683303 where: bonds (distance) C4'-P energy: -58.807 bonds (distance) P-C4' energy: -60.808 flat angles C4'-P-C4' energy: -54.273 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -23.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -452.193371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.193371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.193371 (E_RNA) where: Base-Base interactions energy: -239.625 where: short stacking energy: -124.901 Base-Backbone interact. energy: 0.415 local terms energy: -212.984139 where: bonds (distance) C4'-P energy: -58.564 bonds (distance) P-C4' energy: -58.473 flat angles C4'-P-C4' energy: -50.475 flat angles P-C4'-P energy: -34.486 tors. eta vs tors. theta energy: -10.986 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: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -254.240473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.240473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.240473 (E_RNA) where: Base-Base interactions energy: -79.478 where: short stacking energy: -64.128 Base-Backbone interact. energy: -2.004 local terms energy: -172.758495 where: bonds (distance) C4'-P energy: -48.820 bonds (distance) P-C4' energy: -53.068 flat angles C4'-P-C4' energy: -52.575 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: 22.410 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: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1105.985882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.985882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.985882 (E_RNA) where: Base-Base interactions energy: -748.537 where: short stacking energy: -327.153 Base-Backbone interact. energy: -2.456 local terms energy: -354.992593 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -69.339 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -53.454 tors. eta vs tors. theta energy: -95.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1088.956174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.956174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.956174 (E_RNA) where: Base-Base interactions energy: -760.230 where: short stacking energy: -314.839 Base-Backbone interact. energy: 1.947 local terms energy: -330.673722 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -70.134 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -93.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1044.674037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.674037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.674037 (E_RNA) where: Base-Base interactions energy: -711.928 where: short stacking energy: -298.137 Base-Backbone interact. energy: -0.149 local terms energy: -332.597009 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -46.991 tors. eta vs tors. theta energy: -87.681 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: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -961.188679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.188679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.188679 (E_RNA) where: Base-Base interactions energy: -654.242 where: short stacking energy: -264.793 Base-Backbone interact. energy: 0.742 local terms energy: -307.688612 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -65.085 flat angles P-C4'-P energy: -40.150 tors. eta vs tors. theta energy: -80.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -870.037041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.037041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.037041 (E_RNA) where: Base-Base interactions energy: -554.397 where: short stacking energy: -271.392 Base-Backbone interact. energy: -0.390 local terms energy: -315.250272 where: bonds (distance) C4'-P energy: -65.864 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -40.484 tors. eta vs tors. theta energy: -80.467 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: 485 Temperature: 1.150000 Total energy: -921.236427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.236427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.236427 (E_RNA) where: Base-Base interactions energy: -625.881 where: short stacking energy: -254.498 Base-Backbone interact. energy: 2.724 local terms energy: -298.079852 where: bonds (distance) C4'-P energy: -55.310 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -69.928 flat angles P-C4'-P energy: -32.395 tors. eta vs tors. theta energy: -79.977 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: 485 Temperature: 1.200000 Total energy: -679.636263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.636263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.636263 (E_RNA) where: Base-Base interactions energy: -433.876 where: short stacking energy: -206.391 Base-Backbone interact. energy: -0.622 local terms energy: -245.138337 where: bonds (distance) C4'-P energy: -55.471 bonds (distance) P-C4' energy: -55.760 flat angles C4'-P-C4' energy: -50.689 flat angles P-C4'-P energy: -32.379 tors. eta vs tors. theta energy: -50.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -589.014910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.014910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.014910 (E_RNA) where: Base-Base interactions energy: -372.448 where: short stacking energy: -169.948 Base-Backbone interact. energy: -2.837 local terms energy: -213.730908 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -51.420 flat angles C4'-P-C4' energy: -45.239 flat angles P-C4'-P energy: -33.567 tors. eta vs tors. theta energy: -22.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -472.898907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.898907 (E_RNA) where: Base-Base interactions energy: -263.835 where: short stacking energy: -149.178 Base-Backbone interact. energy: -0.688 local terms energy: -208.375925 where: bonds (distance) C4'-P energy: -52.352 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -59.294 flat angles P-C4'-P energy: -18.552 tors. eta vs tors. theta energy: -19.238 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: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -266.388652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.388652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.388652 (E_RNA) where: Base-Base interactions energy: -86.879 where: short stacking energy: -53.716 Base-Backbone interact. energy: 0.215 local terms energy: -179.724546 where: bonds (distance) C4'-P energy: -54.011 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -32.954 flat angles P-C4'-P energy: -28.728 tors. eta vs tors. theta energy: 7.756 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: 1, replica: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1102.750128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.750128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.750128 (E_RNA) where: Base-Base interactions energy: -738.952 where: short stacking energy: -344.808 Base-Backbone interact. energy: -1.305 local terms energy: -362.492708 where: bonds (distance) C4'-P energy: -74.494 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -49.487 tors. eta vs tors. theta energy: -101.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1095.963495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.963495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.963495 (E_RNA) where: Base-Base interactions energy: -749.105 where: short stacking energy: -326.641 Base-Backbone interact. energy: -4.176 local terms energy: -342.682188 where: bonds (distance) C4'-P energy: -57.973 bonds (distance) P-C4' energy: -71.600 flat angles C4'-P-C4' energy: -68.824 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -96.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1053.716757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.716757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.716757 (E_RNA) where: Base-Base interactions energy: -727.633 where: short stacking energy: -287.028 Base-Backbone interact. energy: -1.815 local terms energy: -324.268681 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -66.230 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -85.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -967.035013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.035013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.035013 (E_RNA) where: Base-Base interactions energy: -656.984 where: short stacking energy: -279.399 Base-Backbone interact. energy: -0.880 local terms energy: -309.171717 where: bonds (distance) C4'-P energy: -51.704 bonds (distance) P-C4' energy: -55.776 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -85.077 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: 5, replica: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -861.687361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.687361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.687361 (E_RNA) where: Base-Base interactions energy: -568.429 where: short stacking energy: -269.699 Base-Backbone interact. energy: -1.490 local terms energy: -291.768425 where: bonds (distance) C4'-P energy: -43.954 bonds (distance) P-C4' energy: -51.157 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -82.418 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: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -918.947882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.947882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.947882 (E_RNA) where: Base-Base interactions energy: -631.148 where: short stacking energy: -255.474 Base-Backbone interact. energy: -0.610 local terms energy: -287.189637 where: bonds (distance) C4'-P energy: -52.818 bonds (distance) P-C4' energy: -50.020 flat angles C4'-P-C4' energy: -61.219 flat angles P-C4'-P energy: -43.468 tors. eta vs tors. theta energy: -79.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -663.366650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.366650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.366650 (E_RNA) where: Base-Base interactions energy: -410.593 where: short stacking energy: -203.751 Base-Backbone interact. energy: -0.781 local terms energy: -251.992835 where: bonds (distance) C4'-P energy: -48.421 bonds (distance) P-C4' energy: -44.670 flat angles C4'-P-C4' energy: -57.004 flat angles P-C4'-P energy: -50.495 tors. eta vs tors. theta energy: -51.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -570.819733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.819733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.819733 (E_RNA) where: Base-Base interactions energy: -348.021 where: short stacking energy: -175.402 Base-Backbone interact. energy: -1.575 local terms energy: -221.223011 where: bonds (distance) C4'-P energy: -51.265 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -52.519 flat angles P-C4'-P energy: -31.123 tors. eta vs tors. theta energy: -25.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -528.678362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.678362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.678362 (E_RNA) where: Base-Base interactions energy: -314.541 where: short stacking energy: -145.133 Base-Backbone interact. energy: 1.996 local terms energy: -216.133402 where: bonds (distance) C4'-P energy: -52.495 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -59.059 flat angles P-C4'-P energy: -29.104 tors. eta vs tors. theta energy: -20.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -286.981850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.981850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.981850 (E_RNA) where: Base-Base interactions energy: -114.407 where: short stacking energy: -77.326 Base-Backbone interact. energy: 1.127 local terms energy: -173.701587 where: bonds (distance) C4'-P energy: -49.071 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -31.084 flat angles P-C4'-P energy: -27.224 tors. eta vs tors. theta energy: -1.949 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: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1122.933616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.933616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.933616 (E_RNA) where: Base-Base interactions energy: -772.035 where: short stacking energy: -353.646 Base-Backbone interact. energy: -1.736 local terms energy: -349.162950 where: bonds (distance) C4'-P energy: -67.454 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -71.042 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -101.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1093.913803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.913803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.913803 (E_RNA) where: Base-Base interactions energy: -758.691 where: short stacking energy: -329.186 Base-Backbone interact. energy: 0.384 local terms energy: -335.606819 where: bonds (distance) C4'-P energy: -62.915 bonds (distance) P-C4' energy: -50.414 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -48.971 tors. eta vs tors. theta energy: -97.237 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: 487 Temperature: 1.000000 Total energy: -1065.531128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.531128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.531128 (E_RNA) where: Base-Base interactions energy: -740.837 where: short stacking energy: -312.128 Base-Backbone interact. energy: 1.269 local terms energy: -325.963332 where: bonds (distance) C4'-P energy: -48.204 bonds (distance) P-C4' energy: -65.238 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -47.773 tors. eta vs tors. theta energy: -94.789 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: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -988.527202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.527202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.527202 (E_RNA) where: Base-Base interactions energy: -671.717 where: short stacking energy: -291.469 Base-Backbone interact. energy: -0.070 local terms energy: -316.740759 where: bonds (distance) C4'-P energy: -55.555 bonds (distance) P-C4' energy: -61.680 flat angles C4'-P-C4' energy: -65.194 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -87.852 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: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -870.641727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.641727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.641727 (E_RNA) where: Base-Base interactions energy: -553.015 where: short stacking energy: -261.845 Base-Backbone interact. energy: -0.755 local terms energy: -316.872528 where: bonds (distance) C4'-P energy: -53.971 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -65.475 flat angles P-C4'-P energy: -44.128 tors. eta vs tors. theta energy: -87.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -932.702361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.702361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.702361 (E_RNA) where: Base-Base interactions energy: -634.486 where: short stacking energy: -277.973 Base-Backbone interact. energy: 0.742 local terms energy: -298.957735 where: bonds (distance) C4'-P energy: -59.266 bonds (distance) P-C4' energy: -61.064 flat angles C4'-P-C4' energy: -60.939 flat angles P-C4'-P energy: -40.555 tors. eta vs tors. theta energy: -77.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -682.568628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.568628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.568628 (E_RNA) where: Base-Base interactions energy: -430.680 where: short stacking energy: -215.889 Base-Backbone interact. energy: 0.043 local terms energy: -251.931770 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -47.389 flat angles C4'-P-C4' energy: -54.928 flat angles P-C4'-P energy: -39.363 tors. eta vs tors. theta energy: -54.457 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: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -505.441463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.441463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.441463 (E_RNA) where: Base-Base interactions energy: -279.273 where: short stacking energy: -145.762 Base-Backbone interact. energy: -2.113 local terms energy: -224.055435 where: bonds (distance) C4'-P energy: -51.326 bonds (distance) P-C4' energy: -54.767 flat angles C4'-P-C4' energy: -61.072 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -18.030 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: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -520.487950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.487950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.487950 (E_RNA) where: Base-Base interactions energy: -282.799 where: short stacking energy: -145.078 Base-Backbone interact. energy: -3.031 local terms energy: -234.657843 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -66.707 flat angles C4'-P-C4' energy: -55.090 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -17.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -257.126297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.126297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.126297 (E_RNA) where: Base-Base interactions energy: -96.294 where: short stacking energy: -83.381 Base-Backbone interact. energy: -1.356 local terms energy: -159.476001 where: bonds (distance) C4'-P energy: -48.012 bonds (distance) P-C4' energy: -60.930 flat angles C4'-P-C4' energy: -33.131 flat angles P-C4'-P energy: -21.472 tors. eta vs tors. theta energy: 4.069 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: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1143.846360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.846360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.846360 (E_RNA) where: Base-Base interactions energy: -788.311 where: short stacking energy: -331.468 Base-Backbone interact. energy: 0.387 local terms energy: -355.921774 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -74.137 flat angles C4'-P-C4' energy: -68.371 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: -102.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1093.285847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.285847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.285847 (E_RNA) where: Base-Base interactions energy: -750.329 where: short stacking energy: -314.971 Base-Backbone interact. energy: -0.719 local terms energy: -342.237732 where: bonds (distance) C4'-P energy: -58.651 bonds (distance) P-C4' energy: -60.693 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -51.745 tors. eta vs tors. theta energy: -98.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1063.844868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.844868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.844868 (E_RNA) where: Base-Base interactions energy: -738.448 where: short stacking energy: -304.426 Base-Backbone interact. energy: -1.519 local terms energy: -323.877745 where: bonds (distance) C4'-P energy: -64.335 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -68.935 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -82.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -980.365461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.365461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.365461 (E_RNA) where: Base-Base interactions energy: -669.442 where: short stacking energy: -282.819 Base-Backbone interact. energy: -1.823 local terms energy: -309.100851 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -57.194 flat angles C4'-P-C4' energy: -64.627 flat angles P-C4'-P energy: -39.916 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: 5, replica: 6 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -961.211544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.211544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.211544 (E_RNA) where: Base-Base interactions energy: -649.402 where: short stacking energy: -287.035 Base-Backbone interact. energy: -0.343 local terms energy: -311.467313 where: bonds (distance) C4'-P energy: -48.557 bonds (distance) P-C4' energy: -66.904 flat angles C4'-P-C4' energy: -68.885 flat angles P-C4'-P energy: -44.744 tors. eta vs tors. theta energy: -82.378 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: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -877.626652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.626652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.626652 (E_RNA) where: Base-Base interactions energy: -573.060 where: short stacking energy: -273.263 Base-Backbone interact. energy: -2.568 local terms energy: -301.997748 where: bonds (distance) C4'-P energy: -52.281 bonds (distance) P-C4' energy: -65.494 flat angles C4'-P-C4' energy: -64.312 flat angles P-C4'-P energy: -38.198 tors. eta vs tors. theta energy: -81.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -698.266389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.266389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.266389 (E_RNA) where: Base-Base interactions energy: -441.166 where: short stacking energy: -200.760 Base-Backbone interact. energy: -1.689 local terms energy: -255.411338 where: bonds (distance) C4'-P energy: -54.354 bonds (distance) P-C4' energy: -50.971 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -41.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -499.900694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.900694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.900694 (E_RNA) where: Base-Base interactions energy: -291.710 where: short stacking energy: -154.166 Base-Backbone interact. energy: -1.061 local terms energy: -207.129320 where: bonds (distance) C4'-P energy: -37.564 bonds (distance) P-C4' energy: -54.998 flat angles C4'-P-C4' energy: -48.854 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -27.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -409.269370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.269370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.269370 (E_RNA) where: Base-Base interactions energy: -228.224 where: short stacking energy: -112.526 Base-Backbone interact. energy: -1.365 local terms energy: -179.679429 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -55.514 flat angles C4'-P-C4' energy: -40.128 flat angles P-C4'-P energy: -19.712 tors. eta vs tors. theta energy: -11.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -267.259789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.259789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.259789 (E_RNA) where: Base-Base interactions energy: -99.081 where: short stacking energy: -82.433 Base-Backbone interact. energy: 2.017 local terms energy: -170.195451 where: bonds (distance) C4'-P energy: -50.204 bonds (distance) P-C4' energy: -51.809 flat angles C4'-P-C4' energy: -50.172 flat angles P-C4'-P energy: -21.549 tors. eta vs tors. theta energy: 3.539 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: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1127.030180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.030180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.030180 (E_RNA) where: Base-Base interactions energy: -789.069 where: short stacking energy: -346.921 Base-Backbone interact. energy: -0.085 local terms energy: -337.875786 where: bonds (distance) C4'-P energy: -56.588 bonds (distance) P-C4' energy: -55.650 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -47.151 tors. eta vs tors. theta energy: -101.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1076.493396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.493396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.493396 (E_RNA) where: Base-Base interactions energy: -727.565 where: short stacking energy: -320.438 Base-Backbone interact. energy: -1.536 local terms energy: -347.392939 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -75.916 flat angles P-C4'-P energy: -48.062 tors. eta vs tors. theta energy: -92.832 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: 489 Temperature: 1.000000 Total energy: -1059.067736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.067736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.067736 (E_RNA) where: Base-Base interactions energy: -744.498 where: short stacking energy: -311.548 Base-Backbone interact. energy: -2.445 local terms energy: -312.124186 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -52.930 flat angles C4'-P-C4' energy: -57.620 flat angles P-C4'-P energy: -45.389 tors. eta vs tors. theta energy: -88.016 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: 489 Temperature: 1.050000 Total energy: -976.696160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.696160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.696160 (E_RNA) where: Base-Base interactions energy: -661.672 where: short stacking energy: -284.296 Base-Backbone interact. energy: -1.132 local terms energy: -313.892834 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -81.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -959.164341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.164341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.164341 (E_RNA) where: Base-Base interactions energy: -645.644 where: short stacking energy: -269.889 Base-Backbone interact. energy: 2.346 local terms energy: -315.866399 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -59.212 flat angles C4'-P-C4' energy: -69.255 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -76.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -859.666688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.666688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.666688 (E_RNA) where: Base-Base interactions energy: -579.005 where: short stacking energy: -257.630 Base-Backbone interact. energy: -0.022 local terms energy: -280.639633 where: bonds (distance) C4'-P energy: -52.106 bonds (distance) P-C4' energy: -55.133 flat angles C4'-P-C4' energy: -59.605 flat angles P-C4'-P energy: -43.151 tors. eta vs tors. theta energy: -70.645 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: 489 Temperature: 1.200000 Total energy: -705.140757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.140757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.140757 (E_RNA) where: Base-Base interactions energy: -470.706 where: short stacking energy: -205.673 Base-Backbone interact. energy: -1.493 local terms energy: -232.941816 where: bonds (distance) C4'-P energy: -53.919 bonds (distance) P-C4' energy: -39.376 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -34.824 tors. eta vs tors. theta energy: -40.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -485.754830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.754830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.754830 (E_RNA) where: Base-Base interactions energy: -272.964 where: short stacking energy: -139.089 Base-Backbone interact. energy: -1.098 local terms energy: -211.692883 where: bonds (distance) C4'-P energy: -53.168 bonds (distance) P-C4' energy: -65.352 flat angles C4'-P-C4' energy: -35.514 flat angles P-C4'-P energy: -36.924 tors. eta vs tors. theta energy: -20.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -515.089348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.089348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.089348 (E_RNA) where: Base-Base interactions energy: -293.518 where: short stacking energy: -143.804 Base-Backbone interact. energy: 2.241 local terms energy: -223.812357 where: bonds (distance) C4'-P energy: -59.401 bonds (distance) P-C4' energy: -51.455 flat angles C4'-P-C4' energy: -55.388 flat angles P-C4'-P energy: -34.789 tors. eta vs tors. theta energy: -22.779 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: 489 Temperature: 1.350000 Total energy: -276.143572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.143572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.143572 (E_RNA) where: Base-Base interactions energy: -97.372 where: short stacking energy: -80.391 Base-Backbone interact. energy: 0.393 local terms energy: -179.164141 where: bonds (distance) C4'-P energy: -59.167 bonds (distance) P-C4' energy: -48.582 flat angles C4'-P-C4' energy: -55.840 flat angles P-C4'-P energy: -18.361 tors. eta vs tors. theta energy: 2.786 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: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1132.557418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.557418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.557418 (E_RNA) where: Base-Base interactions energy: -784.588 where: short stacking energy: -353.146 Base-Backbone interact. energy: -2.144 local terms energy: -345.825580 where: bonds (distance) C4'-P energy: -57.140 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -67.800 flat angles P-C4'-P energy: -43.533 tors. eta vs tors. theta energy: -110.128 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: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1061.723663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.723663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.723663 (E_RNA) where: Base-Base interactions energy: -722.145 where: short stacking energy: -313.034 Base-Backbone interact. energy: -1.552 local terms energy: -338.027244 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -66.092 flat angles C4'-P-C4' energy: -76.322 flat angles P-C4'-P energy: -43.848 tors. eta vs tors. theta energy: -94.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1062.395307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.395307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.395307 (E_RNA) where: Base-Base interactions energy: -739.093 where: short stacking energy: -300.646 Base-Backbone interact. energy: -3.293 local terms energy: -320.008446 where: bonds (distance) C4'-P energy: -56.916 bonds (distance) P-C4' energy: -72.346 flat angles C4'-P-C4' energy: -70.039 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -80.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -993.090363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.090363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.090363 (E_RNA) where: Base-Base interactions energy: -659.415 where: short stacking energy: -279.751 Base-Backbone interact. energy: -0.729 local terms energy: -332.946120 where: bonds (distance) C4'-P energy: -58.154 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -73.849 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -89.391 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: 490 Temperature: 1.100000 Total energy: -958.328006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.328006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.328006 (E_RNA) where: Base-Base interactions energy: -662.286 where: short stacking energy: -283.270 Base-Backbone interact. energy: -0.013 local terms energy: -296.028350 where: bonds (distance) C4'-P energy: -57.522 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -63.232 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -71.969 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: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -877.760473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.760473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.760473 (E_RNA) where: Base-Base interactions energy: -571.123 where: short stacking energy: -249.475 Base-Backbone interact. energy: -1.610 local terms energy: -305.027526 where: bonds (distance) C4'-P energy: -61.658 bonds (distance) P-C4' energy: -68.863 flat angles C4'-P-C4' energy: -68.784 flat angles P-C4'-P energy: -37.033 tors. eta vs tors. theta energy: -68.690 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: 490 Temperature: 1.200000 Total energy: -707.339495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.339495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.339495 (E_RNA) where: Base-Base interactions energy: -461.005 where: short stacking energy: -206.871 Base-Backbone interact. energy: -0.397 local terms energy: -245.937667 where: bonds (distance) C4'-P energy: -54.804 bonds (distance) P-C4' energy: -59.415 flat angles C4'-P-C4' energy: -52.233 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -41.918 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: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -543.765273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.765273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.765273 (E_RNA) where: Base-Base interactions energy: -319.595 where: short stacking energy: -151.506 Base-Backbone interact. energy: -0.745 local terms energy: -223.425385 where: bonds (distance) C4'-P energy: -56.386 bonds (distance) P-C4' energy: -56.363 flat angles C4'-P-C4' energy: -61.347 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -12.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -505.772623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.772623 (E_RNA) where: Base-Base interactions energy: -298.113 where: short stacking energy: -141.963 Base-Backbone interact. energy: -1.633 local terms energy: -206.027500 where: bonds (distance) C4'-P energy: -52.986 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -54.758 flat angles P-C4'-P energy: -27.807 tors. eta vs tors. theta energy: -11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -274.877599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.877599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.877599 (E_RNA) where: Base-Base interactions energy: -99.670 where: short stacking energy: -72.397 Base-Backbone interact. energy: -0.121 local terms energy: -175.085927 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -49.653 flat angles P-C4'-P energy: -26.292 tors. eta vs tors. theta energy: 13.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1132.710078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.710078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.710078 (E_RNA) where: Base-Base interactions energy: -773.891 where: short stacking energy: -323.662 Base-Backbone interact. energy: -0.131 local terms energy: -358.688326 where: bonds (distance) C4'-P energy: -73.971 bonds (distance) P-C4' energy: -63.719 flat angles C4'-P-C4' energy: -71.506 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -100.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1074.122975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.122975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.122975 (E_RNA) where: Base-Base interactions energy: -745.585 where: short stacking energy: -307.370 Base-Backbone interact. energy: 1.001 local terms energy: -329.538730 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -64.379 flat angles C4'-P-C4' energy: -64.403 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -81.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1045.624790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.624790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.624790 (E_RNA) where: Base-Base interactions energy: -723.594 where: short stacking energy: -304.340 Base-Backbone interact. energy: -2.755 local terms energy: -319.275313 where: bonds (distance) C4'-P energy: -53.132 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -68.324 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -79.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -979.206572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.206572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.206572 (E_RNA) where: Base-Base interactions energy: -683.806 where: short stacking energy: -288.149 Base-Backbone interact. energy: -0.655 local terms energy: -294.746463 where: bonds (distance) C4'-P energy: -55.169 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -63.454 flat angles P-C4'-P energy: -37.310 tors. eta vs tors. theta energy: -76.904 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: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -919.630424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.630424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.630424 (E_RNA) where: Base-Base interactions energy: -616.185 where: short stacking energy: -261.369 Base-Backbone interact. energy: -1.189 local terms energy: -302.256209 where: bonds (distance) C4'-P energy: -59.876 bonds (distance) P-C4' energy: -62.000 flat angles C4'-P-C4' energy: -62.879 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -72.940 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: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -854.899442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.899442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.899442 (E_RNA) where: Base-Base interactions energy: -559.656 where: short stacking energy: -234.643 Base-Backbone interact. energy: 3.587 local terms energy: -298.830639 where: bonds (distance) C4'-P energy: -64.929 bonds (distance) P-C4' energy: -63.003 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -42.614 tors. eta vs tors. theta energy: -62.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -698.710826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.710826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.710826 (E_RNA) where: Base-Base interactions energy: -452.168 where: short stacking energy: -220.639 Base-Backbone interact. energy: 3.003 local terms energy: -249.545051 where: bonds (distance) C4'-P energy: -63.073 bonds (distance) P-C4' energy: -46.827 flat angles C4'-P-C4' energy: -58.435 flat angles P-C4'-P energy: -35.913 tors. eta vs tors. theta energy: -45.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -484.798036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.798036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.798036 (E_RNA) where: Base-Base interactions energy: -281.081 where: short stacking energy: -133.925 Base-Backbone interact. energy: 0.170 local terms energy: -203.886553 where: bonds (distance) C4'-P energy: -49.567 bonds (distance) P-C4' energy: -56.053 flat angles C4'-P-C4' energy: -56.713 flat angles P-C4'-P energy: -19.761 tors. eta vs tors. theta energy: -21.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -482.778061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.778061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.778061 (E_RNA) where: Base-Base interactions energy: -281.651 where: short stacking energy: -137.378 Base-Backbone interact. energy: -0.322 local terms energy: -200.805268 where: bonds (distance) C4'-P energy: -49.952 bonds (distance) P-C4' energy: -47.233 flat angles C4'-P-C4' energy: -55.361 flat angles P-C4'-P energy: -28.496 tors. eta vs tors. theta energy: -19.763 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: 2 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -270.728679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.728679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.728679 (E_RNA) where: Base-Base interactions energy: -92.990 where: short stacking energy: -68.478 Base-Backbone interact. energy: 0.644 local terms energy: -178.382681 where: bonds (distance) C4'-P energy: -46.183 bonds (distance) P-C4' energy: -58.629 flat angles C4'-P-C4' energy: -50.157 flat angles P-C4'-P energy: -35.473 tors. eta vs tors. theta energy: 12.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1157.111211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.111211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.111211 (E_RNA) where: Base-Base interactions energy: -795.817 where: short stacking energy: -349.298 Base-Backbone interact. energy: 0.082 local terms energy: -361.376295 where: bonds (distance) C4'-P energy: -60.831 bonds (distance) P-C4' energy: -63.926 flat angles C4'-P-C4' energy: -76.741 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -106.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1086.806677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.806677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.806677 (E_RNA) where: Base-Base interactions energy: -756.231 where: short stacking energy: -298.242 Base-Backbone interact. energy: -2.684 local terms energy: -327.891437 where: bonds (distance) C4'-P energy: -67.074 bonds (distance) P-C4' energy: -72.920 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -46.085 tors. eta vs tors. theta energy: -79.412 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: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -986.929505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.929505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.929505 (E_RNA) where: Base-Base interactions energy: -669.693 where: short stacking energy: -297.353 Base-Backbone interact. energy: -0.511 local terms energy: -316.725574 where: bonds (distance) C4'-P energy: -52.692 bonds (distance) P-C4' energy: -59.038 flat angles C4'-P-C4' energy: -76.402 flat angles P-C4'-P energy: -42.274 tors. eta vs tors. theta energy: -86.319 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: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1007.051978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.051978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.051978 (E_RNA) where: Base-Base interactions energy: -691.556 where: short stacking energy: -291.262 Base-Backbone interact. energy: -2.953 local terms energy: -312.543263 where: bonds (distance) C4'-P energy: -51.261 bonds (distance) P-C4' energy: -52.768 flat angles C4'-P-C4' energy: -78.014 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -82.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -945.161219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.161219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.161219 (E_RNA) where: Base-Base interactions energy: -654.602 where: short stacking energy: -280.718 Base-Backbone interact. energy: -0.749 local terms energy: -289.809729 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -60.562 flat angles C4'-P-C4' energy: -60.302 flat angles P-C4'-P energy: -35.676 tors. eta vs tors. theta energy: -75.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -851.683590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.683590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.683590 (E_RNA) where: Base-Base interactions energy: -556.311 where: short stacking energy: -261.286 Base-Backbone interact. energy: -0.912 local terms energy: -294.460812 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -51.814 flat angles C4'-P-C4' energy: -62.938 flat angles P-C4'-P energy: -44.857 tors. eta vs tors. theta energy: -75.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -679.970122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.970122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.970122 (E_RNA) where: Base-Base interactions energy: -422.597 where: short stacking energy: -201.678 Base-Backbone interact. energy: 0.340 local terms energy: -257.712643 where: bonds (distance) C4'-P energy: -54.064 bonds (distance) P-C4' energy: -59.040 flat angles C4'-P-C4' energy: -52.100 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -44.808 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: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -510.391944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.391944 (E_RNA) where: Base-Base interactions energy: -283.713 where: short stacking energy: -146.619 Base-Backbone interact. energy: -3.955 local terms energy: -222.723624 where: bonds (distance) C4'-P energy: -52.539 bonds (distance) P-C4' energy: -61.603 flat angles C4'-P-C4' energy: -53.891 flat angles P-C4'-P energy: -29.307 tors. eta vs tors. theta energy: -25.383 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: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -519.129370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.129370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.129370 (E_RNA) where: Base-Base interactions energy: -305.146 where: short stacking energy: -142.526 Base-Backbone interact. energy: -2.268 local terms energy: -211.715392 where: bonds (distance) C4'-P energy: -49.722 bonds (distance) P-C4' energy: -60.896 flat angles C4'-P-C4' energy: -46.114 flat angles P-C4'-P energy: -32.742 tors. eta vs tors. theta energy: -22.241 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: 10, replica: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -257.243090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.243090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.243090 (E_RNA) where: Base-Base interactions energy: -83.659 where: short stacking energy: -82.719 Base-Backbone interact. energy: 2.581 local terms energy: -176.165551 where: bonds (distance) C4'-P energy: -56.624 bonds (distance) P-C4' energy: -56.602 flat angles C4'-P-C4' energy: -47.652 flat angles P-C4'-P energy: -27.289 tors. eta vs tors. theta energy: 12.001 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: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1119.999829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.999829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.999829 (E_RNA) where: Base-Base interactions energy: -769.762 where: short stacking energy: -341.263 Base-Backbone interact. energy: -0.493 local terms energy: -349.744882 where: bonds (distance) C4'-P energy: -71.411 bonds (distance) P-C4' energy: -57.718 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -96.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1084.286284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.286284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.286284 (E_RNA) where: Base-Base interactions energy: -744.749 where: short stacking energy: -300.433 Base-Backbone interact. energy: -2.518 local terms energy: -337.020060 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -74.670 flat angles P-C4'-P energy: -52.855 tors. eta vs tors. theta energy: -82.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1024.990383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.990383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.990383 (E_RNA) where: Base-Base interactions energy: -714.157 where: short stacking energy: -293.710 Base-Backbone interact. energy: -0.658 local terms energy: -310.176031 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -62.440 flat angles C4'-P-C4' energy: -62.645 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -84.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1011.197940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.197940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.197940 (E_RNA) where: Base-Base interactions energy: -704.704 where: short stacking energy: -309.926 Base-Backbone interact. energy: -0.123 local terms energy: -306.370831 where: bonds (distance) C4'-P energy: -47.779 bonds (distance) P-C4' energy: -50.228 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -50.527 tors. eta vs tors. theta energy: -85.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -974.245947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.245947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.245947 (E_RNA) where: Base-Base interactions energy: -652.329 where: short stacking energy: -272.768 Base-Backbone interact. energy: -1.083 local terms energy: -320.833355 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -63.178 flat angles C4'-P-C4' energy: -71.056 flat angles P-C4'-P energy: -40.709 tors. eta vs tors. theta energy: -84.609 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: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -850.155028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.155028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.155028 (E_RNA) where: Base-Base interactions energy: -573.625 where: short stacking energy: -260.592 Base-Backbone interact. energy: -1.913 local terms energy: -274.617319 where: bonds (distance) C4'-P energy: -46.917 bonds (distance) P-C4' energy: -49.167 flat angles C4'-P-C4' energy: -58.987 flat angles P-C4'-P energy: -43.446 tors. eta vs tors. theta energy: -76.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -722.589189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.589189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.589189 (E_RNA) where: Base-Base interactions energy: -441.743 where: short stacking energy: -219.852 Base-Backbone interact. energy: 0.712 local terms energy: -281.558490 where: bonds (distance) C4'-P energy: -62.078 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -63.366 flat angles P-C4'-P energy: -27.845 tors. eta vs tors. theta energy: -60.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -511.685603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.685603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.685603 (E_RNA) where: Base-Base interactions energy: -300.242 where: short stacking energy: -144.250 Base-Backbone interact. energy: 0.335 local terms energy: -211.778382 where: bonds (distance) C4'-P energy: -53.439 bonds (distance) P-C4' energy: -50.529 flat angles C4'-P-C4' energy: -56.014 flat angles P-C4'-P energy: -31.532 tors. eta vs tors. theta energy: -20.264 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: 7 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -525.676109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.676109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.676109 (E_RNA) where: Base-Base interactions energy: -300.945 where: short stacking energy: -154.222 Base-Backbone interact. energy: 3.875 local terms energy: -228.606047 where: bonds (distance) C4'-P energy: -57.200 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -48.315 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -37.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -286.300400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.300400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.300400 (E_RNA) where: Base-Base interactions energy: -123.642 where: short stacking energy: -76.508 Base-Backbone interact. energy: -2.007 local terms energy: -160.651822 where: bonds (distance) C4'-P energy: -50.797 bonds (distance) P-C4' energy: -48.882 flat angles C4'-P-C4' energy: -40.013 flat angles P-C4'-P energy: -24.639 tors. eta vs tors. theta energy: 3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1118.095942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.095942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.095942 (E_RNA) where: Base-Base interactions energy: -779.513 where: short stacking energy: -313.236 Base-Backbone interact. energy: -2.531 local terms energy: -336.052288 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -45.076 tors. eta vs tors. theta energy: -87.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1094.996127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.996127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.996127 (E_RNA) where: Base-Base interactions energy: -747.560 where: short stacking energy: -311.712 Base-Backbone interact. energy: -0.406 local terms energy: -347.030373 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -72.709 flat angles C4'-P-C4' energy: -69.096 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -98.451 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: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1045.604387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.604387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.604387 (E_RNA) where: Base-Base interactions energy: -705.405 where: short stacking energy: -301.488 Base-Backbone interact. energy: 0.677 local terms energy: -340.876438 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -59.752 flat angles C4'-P-C4' energy: -69.281 flat angles P-C4'-P energy: -54.846 tors. eta vs tors. theta energy: -88.474 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: 494 Temperature: 1.050000 Total energy: -1002.200989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.200989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.200989 (E_RNA) where: Base-Base interactions energy: -678.446 where: short stacking energy: -297.283 Base-Backbone interact. energy: 0.182 local terms energy: -323.936645 where: bonds (distance) C4'-P energy: -51.766 bonds (distance) P-C4' energy: -61.767 flat angles C4'-P-C4' energy: -70.644 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -87.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -983.018361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.018361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.018361 (E_RNA) where: Base-Base interactions energy: -674.923 where: short stacking energy: -283.864 Base-Backbone interact. energy: 1.678 local terms energy: -309.773236 where: bonds (distance) C4'-P energy: -61.280 bonds (distance) P-C4' energy: -59.890 flat angles C4'-P-C4' energy: -59.694 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -79.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -831.686446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.686446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.686446 (E_RNA) where: Base-Base interactions energy: -562.140 where: short stacking energy: -241.898 Base-Backbone interact. energy: -1.667 local terms energy: -267.879054 where: bonds (distance) C4'-P energy: -45.727 bonds (distance) P-C4' energy: -62.182 flat angles C4'-P-C4' energy: -62.200 flat angles P-C4'-P energy: -27.638 tors. eta vs tors. theta energy: -70.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -696.166605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.166605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.166605 (E_RNA) where: Base-Base interactions energy: -422.703 where: short stacking energy: -195.998 Base-Backbone interact. energy: -0.401 local terms energy: -273.062597 where: bonds (distance) C4'-P energy: -58.229 bonds (distance) P-C4' energy: -65.092 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -32.151 tors. eta vs tors. theta energy: -51.918 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: 5 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -550.532745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.532745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.532745 (E_RNA) where: Base-Base interactions energy: -352.333 where: short stacking energy: -160.019 Base-Backbone interact. energy: 0.620 local terms energy: -198.820288 where: bonds (distance) C4'-P energy: -38.859 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -46.041 flat angles P-C4'-P energy: -37.205 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -508.551019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.551019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.551019 (E_RNA) where: Base-Base interactions energy: -283.800 where: short stacking energy: -146.619 Base-Backbone interact. energy: 0.065 local terms energy: -224.816514 where: bonds (distance) C4'-P energy: -47.326 bonds (distance) P-C4' energy: -55.269 flat angles C4'-P-C4' energy: -45.796 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -35.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -282.210757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.210757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.210757 (E_RNA) where: Base-Base interactions energy: -109.946 where: short stacking energy: -72.897 Base-Backbone interact. energy: -2.011 local terms energy: -170.253894 where: bonds (distance) C4'-P energy: -58.060 bonds (distance) P-C4' energy: -57.425 flat angles C4'-P-C4' energy: -41.135 flat angles P-C4'-P energy: -21.927 tors. eta vs tors. theta energy: 8.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1123.210621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.210621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.210621 (E_RNA) where: Base-Base interactions energy: -784.913 where: short stacking energy: -328.306 Base-Backbone interact. energy: -2.585 local terms energy: -335.713328 where: bonds (distance) C4'-P energy: -58.033 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -94.939 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: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1100.791190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.791190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.791190 (E_RNA) where: Base-Base interactions energy: -761.615 where: short stacking energy: -317.689 Base-Backbone interact. energy: 0.091 local terms energy: -339.267350 where: bonds (distance) C4'-P energy: -64.818 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -52.788 tors. eta vs tors. theta energy: -93.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1072.132112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.132112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.132112 (E_RNA) where: Base-Base interactions energy: -737.188 where: short stacking energy: -306.136 Base-Backbone interact. energy: -2.250 local terms energy: -332.694288 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -59.470 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -45.206 tors. eta vs tors. theta energy: -92.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1018.843181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.843181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.843181 (E_RNA) where: Base-Base interactions energy: -696.696 where: short stacking energy: -300.446 Base-Backbone interact. energy: 0.499 local terms energy: -322.645751 where: bonds (distance) C4'-P energy: -54.912 bonds (distance) P-C4' energy: -50.695 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -49.487 tors. eta vs tors. theta energy: -94.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -953.399149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.399149 (E_RNA) where: Base-Base interactions energy: -646.548 where: short stacking energy: -288.434 Base-Backbone interact. energy: -0.601 local terms energy: -306.250241 where: bonds (distance) C4'-P energy: -57.579 bonds (distance) P-C4' energy: -69.097 flat angles C4'-P-C4' energy: -60.640 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -72.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -870.824363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.824363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.824363 (E_RNA) where: Base-Base interactions energy: -585.470 where: short stacking energy: -265.667 Base-Backbone interact. energy: 0.870 local terms energy: -286.223977 where: bonds (distance) C4'-P energy: -55.598 bonds (distance) P-C4' energy: -45.199 flat angles C4'-P-C4' energy: -64.897 flat angles P-C4'-P energy: -51.412 tors. eta vs tors. theta energy: -69.117 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: 495 Temperature: 1.200000 Total energy: -659.938728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.938728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.938728 (E_RNA) where: Base-Base interactions energy: -410.660 where: short stacking energy: -216.553 Base-Backbone interact. energy: -0.351 local terms energy: -248.927128 where: bonds (distance) C4'-P energy: -47.283 bonds (distance) P-C4' energy: -57.010 flat angles C4'-P-C4' energy: -59.326 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: -44.603 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: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -564.740320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.740320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.740320 (E_RNA) where: Base-Base interactions energy: -323.750 where: short stacking energy: -174.804 Base-Backbone interact. energy: -0.858 local terms energy: -240.132723 where: bonds (distance) C4'-P energy: -64.126 bonds (distance) P-C4' energy: -68.536 flat angles C4'-P-C4' energy: -49.068 flat angles P-C4'-P energy: -27.254 tors. eta vs tors. theta energy: -31.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -509.982784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.982784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.982784 (E_RNA) where: Base-Base interactions energy: -285.817 where: short stacking energy: -151.084 Base-Backbone interact. energy: -0.845 local terms energy: -223.321025 where: bonds (distance) C4'-P energy: -58.046 bonds (distance) P-C4' energy: -47.932 flat angles C4'-P-C4' energy: -49.449 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: -35.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -276.213904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.213904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.213904 (E_RNA) where: Base-Base interactions energy: -104.603 where: short stacking energy: -73.968 Base-Backbone interact. energy: 1.595 local terms energy: -173.205459 where: bonds (distance) C4'-P energy: -48.314 bonds (distance) P-C4' energy: -51.060 flat angles C4'-P-C4' energy: -46.230 flat angles P-C4'-P energy: -33.636 tors. eta vs tors. theta energy: 6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1116.488724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.488724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.488724 (E_RNA) where: Base-Base interactions energy: -792.590 where: short stacking energy: -314.100 Base-Backbone interact. energy: -3.158 local terms energy: -320.740391 where: bonds (distance) C4'-P energy: -56.661 bonds (distance) P-C4' energy: -59.283 flat angles C4'-P-C4' energy: -69.431 flat angles P-C4'-P energy: -46.984 tors. eta vs tors. theta energy: -88.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1096.840942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.840942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.840942 (E_RNA) where: Base-Base interactions energy: -753.262 where: short stacking energy: -317.115 Base-Backbone interact. energy: 0.671 local terms energy: -344.250321 where: bonds (distance) C4'-P energy: -72.191 bonds (distance) P-C4' energy: -64.484 flat angles C4'-P-C4' energy: -70.257 flat angles P-C4'-P energy: -39.606 tors. eta vs tors. theta energy: -97.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1074.203479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.203479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.203479 (E_RNA) where: Base-Base interactions energy: -739.903 where: short stacking energy: -331.680 Base-Backbone interact. energy: 2.403 local terms energy: -336.703350 where: bonds (distance) C4'-P energy: -54.456 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -67.947 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -96.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -994.213387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.213387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.213387 (E_RNA) where: Base-Base interactions energy: -680.222 where: short stacking energy: -298.515 Base-Backbone interact. energy: -0.378 local terms energy: -313.612911 where: bonds (distance) C4'-P energy: -56.741 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: -81.936 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: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -966.474441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.474441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.474441 (E_RNA) where: Base-Base interactions energy: -642.561 where: short stacking energy: -284.830 Base-Backbone interact. energy: -0.867 local terms energy: -323.045589 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -66.724 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -43.984 tors. eta vs tors. theta energy: -84.500 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: 6, replica: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -838.113935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.113935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.113935 (E_RNA) where: Base-Base interactions energy: -559.325 where: short stacking energy: -245.047 Base-Backbone interact. energy: -0.743 local terms energy: -278.045970 where: bonds (distance) C4'-P energy: -51.620 bonds (distance) P-C4' energy: -55.509 flat angles C4'-P-C4' energy: -67.958 flat angles P-C4'-P energy: -40.552 tors. eta vs tors. theta energy: -62.407 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: 3 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -695.299053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.299053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.299053 (E_RNA) where: Base-Base interactions energy: -441.341 where: short stacking energy: -217.067 Base-Backbone interact. energy: -0.545 local terms energy: -253.412844 where: bonds (distance) C4'-P energy: -53.146 bonds (distance) P-C4' energy: -52.710 flat angles C4'-P-C4' energy: -49.941 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: -61.642 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: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -551.388863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.388863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.388863 (E_RNA) where: Base-Base interactions energy: -343.577 where: short stacking energy: -160.888 Base-Backbone interact. energy: -1.032 local terms energy: -206.779667 where: bonds (distance) C4'-P energy: -53.946 bonds (distance) P-C4' energy: -52.693 flat angles C4'-P-C4' energy: -50.021 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -494.137800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.137800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.137800 (E_RNA) where: Base-Base interactions energy: -285.451 where: short stacking energy: -150.107 Base-Backbone interact. energy: -2.698 local terms energy: -205.988321 where: bonds (distance) C4'-P energy: -40.806 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -24.962 tors. eta vs tors. theta energy: -25.432 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: 10, replica: 2 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -322.800307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.800307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.800307 (E_RNA) where: Base-Base interactions energy: -153.396 where: short stacking energy: -111.025 Base-Backbone interact. energy: 3.053 local terms energy: -172.457258 where: bonds (distance) C4'-P energy: -50.142 bonds (distance) P-C4' energy: -48.929 flat angles C4'-P-C4' energy: -49.112 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: -12.234 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: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1112.227722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.227722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.227722 (E_RNA) where: Base-Base interactions energy: -760.659 where: short stacking energy: -306.777 Base-Backbone interact. energy: -0.972 local terms energy: -350.596431 where: bonds (distance) C4'-P energy: -67.469 bonds (distance) P-C4' energy: -68.303 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -91.593 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: 10 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1088.812143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.812143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.812143 (E_RNA) where: Base-Base interactions energy: -740.024 where: short stacking energy: -324.636 Base-Backbone interact. energy: 0.747 local terms energy: -349.535488 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -69.478 flat angles C4'-P-C4' energy: -74.936 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -90.001 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: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1073.698780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.698780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.698780 (E_RNA) where: Base-Base interactions energy: -738.893 where: short stacking energy: -333.735 Base-Backbone interact. energy: -1.075 local terms energy: -333.730809 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -69.923 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -95.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -978.998698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.998698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.998698 (E_RNA) where: Base-Base interactions energy: -655.899 where: short stacking energy: -278.725 Base-Backbone interact. energy: -0.391 local terms energy: -322.708637 where: bonds (distance) C4'-P energy: -58.289 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -85.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -964.967140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.967140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.967140 (E_RNA) where: Base-Base interactions energy: -658.938 where: short stacking energy: -270.392 Base-Backbone interact. energy: -0.167 local terms energy: -305.862127 where: bonds (distance) C4'-P energy: -54.545 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -78.092 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: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -843.455846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.455846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.455846 (E_RNA) where: Base-Base interactions energy: -536.029 where: short stacking energy: -249.842 Base-Backbone interact. energy: -0.189 local terms energy: -307.238160 where: bonds (distance) C4'-P energy: -65.474 bonds (distance) P-C4' energy: -55.031 flat angles C4'-P-C4' energy: -64.043 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -710.523595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.523595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.523595 (E_RNA) where: Base-Base interactions energy: -451.150 where: short stacking energy: -206.455 Base-Backbone interact. energy: -0.224 local terms energy: -259.148744 where: bonds (distance) C4'-P energy: -44.378 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -62.943 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -51.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -575.205333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.205333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.205333 (E_RNA) where: Base-Base interactions energy: -343.861 where: short stacking energy: -162.646 Base-Backbone interact. energy: -3.289 local terms energy: -228.055903 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -54.122 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -24.889 tors. eta vs tors. theta energy: -31.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -489.625507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.625507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.625507 (E_RNA) where: Base-Base interactions energy: -299.684 where: short stacking energy: -140.088 Base-Backbone interact. energy: 2.884 local terms energy: -192.825639 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -50.693 flat angles C4'-P-C4' energy: -54.663 flat angles P-C4'-P energy: -30.630 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -332.481863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.481863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.481863 (E_RNA) where: Base-Base interactions energy: -143.358 where: short stacking energy: -96.893 Base-Backbone interact. energy: -1.277 local terms energy: -187.846143 where: bonds (distance) C4'-P energy: -55.435 bonds (distance) P-C4' energy: -63.451 flat angles C4'-P-C4' energy: -38.920 flat angles P-C4'-P energy: -36.858 tors. eta vs tors. theta energy: 6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1104.473421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.473421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.473421 (E_RNA) where: Base-Base interactions energy: -751.381 where: short stacking energy: -315.387 Base-Backbone interact. energy: -1.329 local terms energy: -351.764383 where: bonds (distance) C4'-P energy: -65.604 bonds (distance) P-C4' energy: -65.834 flat angles C4'-P-C4' energy: -76.892 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -92.063 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: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1074.480822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.480822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.480822 (E_RNA) where: Base-Base interactions energy: -736.219 where: short stacking energy: -307.118 Base-Backbone interact. energy: -0.054 local terms energy: -338.207847 where: bonds (distance) C4'-P energy: -71.678 bonds (distance) P-C4' energy: -58.806 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -89.634 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: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1083.319881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.319881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.319881 (E_RNA) where: Base-Base interactions energy: -728.409 where: short stacking energy: -315.518 Base-Backbone interact. energy: -1.778 local terms energy: -353.133767 where: bonds (distance) C4'-P energy: -67.738 bonds (distance) P-C4' energy: -64.788 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -95.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -992.997532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.997532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.997532 (E_RNA) where: Base-Base interactions energy: -676.186 where: short stacking energy: -301.837 Base-Backbone interact. energy: 4.090 local terms energy: -320.902124 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -63.296 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -84.440 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: 498 Temperature: 1.100000 Total energy: -976.963500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.963500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.963500 (E_RNA) where: Base-Base interactions energy: -677.606 where: short stacking energy: -280.931 Base-Backbone interact. energy: 1.069 local terms energy: -300.426097 where: bonds (distance) C4'-P energy: -45.428 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -63.017 flat angles P-C4'-P energy: -41.997 tors. eta vs tors. theta energy: -91.205 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: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -830.739817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.739817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.739817 (E_RNA) where: Base-Base interactions energy: -551.234 where: short stacking energy: -255.516 Base-Backbone interact. energy: -1.193 local terms energy: -278.312454 where: bonds (distance) C4'-P energy: -56.602 bonds (distance) P-C4' energy: -58.954 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: -67.212 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: 498 Temperature: 1.200000 Total energy: -685.343534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.343534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.343534 (E_RNA) where: Base-Base interactions energy: -430.841 where: short stacking energy: -203.182 Base-Backbone interact. energy: -0.953 local terms energy: -253.548939 where: bonds (distance) C4'-P energy: -43.797 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -42.210 tors. eta vs tors. theta energy: -45.836 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: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -595.224246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.224246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.224246 (E_RNA) where: Base-Base interactions energy: -364.241 where: short stacking energy: -161.746 Base-Backbone interact. energy: 3.323 local terms energy: -234.306150 where: bonds (distance) C4'-P energy: -58.295 bonds (distance) P-C4' energy: -58.137 flat angles C4'-P-C4' energy: -51.928 flat angles P-C4'-P energy: -37.520 tors. eta vs tors. theta energy: -28.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -504.895187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.895187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.895187 (E_RNA) where: Base-Base interactions energy: -298.512 where: short stacking energy: -128.656 Base-Backbone interact. energy: 1.058 local terms energy: -207.440663 where: bonds (distance) C4'-P energy: -52.478 bonds (distance) P-C4' energy: -56.305 flat angles C4'-P-C4' energy: -56.420 flat angles P-C4'-P energy: -33.767 tors. eta vs tors. theta energy: -8.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -303.366923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.366923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.366923 (E_RNA) where: Base-Base interactions energy: -130.531 where: short stacking energy: -90.133 Base-Backbone interact. energy: -0.435 local terms energy: -172.400409 where: bonds (distance) C4'-P energy: -49.530 bonds (distance) P-C4' energy: -59.181 flat angles C4'-P-C4' energy: -42.994 flat angles P-C4'-P energy: -31.552 tors. eta vs tors. theta energy: 10.856 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: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1106.560697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.560697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.560697 (E_RNA) where: Base-Base interactions energy: -747.308 where: short stacking energy: -298.873 Base-Backbone interact. energy: -1.362 local terms energy: -357.890431 where: bonds (distance) C4'-P energy: -68.957 bonds (distance) P-C4' energy: -72.544 flat angles C4'-P-C4' energy: -78.096 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -90.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1099.400928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.400928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.400928 (E_RNA) where: Base-Base interactions energy: -768.915 where: short stacking energy: -335.706 Base-Backbone interact. energy: -0.477 local terms energy: -330.008821 where: bonds (distance) C4'-P energy: -64.685 bonds (distance) P-C4' energy: -61.509 flat angles C4'-P-C4' energy: -62.641 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -100.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1059.819514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.819514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.819514 (E_RNA) where: Base-Base interactions energy: -728.083 where: short stacking energy: -301.810 Base-Backbone interact. energy: -2.268 local terms energy: -329.468033 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -64.248 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -50.675 tors. eta vs tors. theta energy: -79.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -996.660526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.660526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.660526 (E_RNA) where: Base-Base interactions energy: -677.893 where: short stacking energy: -285.730 Base-Backbone interact. energy: -0.395 local terms energy: -318.373100 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -73.573 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -78.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -978.940881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.940881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.940881 (E_RNA) where: Base-Base interactions energy: -671.099 where: short stacking energy: -300.252 Base-Backbone interact. energy: -0.506 local terms energy: -307.335570 where: bonds (distance) C4'-P energy: -47.665 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -61.073 flat angles P-C4'-P energy: -36.753 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: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -793.694762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.694762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.694762 (E_RNA) where: Base-Base interactions energy: -527.264 where: short stacking energy: -241.232 Base-Backbone interact. energy: -2.013 local terms energy: -264.417385 where: bonds (distance) C4'-P energy: -52.850 bonds (distance) P-C4' energy: -46.582 flat angles C4'-P-C4' energy: -66.734 flat angles P-C4'-P energy: -30.407 tors. eta vs tors. theta energy: -67.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -679.035978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.035978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.035978 (E_RNA) where: Base-Base interactions energy: -396.860 where: short stacking energy: -200.407 Base-Backbone interact. energy: 0.687 local terms energy: -282.862504 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -37.468 tors. eta vs tors. theta energy: -55.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -573.436015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.436015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.436015 (E_RNA) where: Base-Base interactions energy: -353.843 where: short stacking energy: -153.847 Base-Backbone interact. energy: -0.986 local terms energy: -218.606923 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -48.730 flat angles C4'-P-C4' energy: -62.446 flat angles P-C4'-P energy: -29.631 tors. eta vs tors. theta energy: -20.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -486.486712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.486712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.486712 (E_RNA) where: Base-Base interactions energy: -287.356 where: short stacking energy: -127.480 Base-Backbone interact. energy: -0.318 local terms energy: -198.812557 where: bonds (distance) C4'-P energy: -47.118 bonds (distance) P-C4' energy: -53.342 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -37.878 tors. eta vs tors. theta energy: -10.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -313.426534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.426534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.426534 (E_RNA) where: Base-Base interactions energy: -138.516 where: short stacking energy: -85.110 Base-Backbone interact. energy: -1.219 local terms energy: -173.691303 where: bonds (distance) C4'-P energy: -48.558 bonds (distance) P-C4' energy: -45.923 flat angles C4'-P-C4' energy: -47.382 flat angles P-C4'-P energy: -33.699 tors. eta vs tors. theta energy: 1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1117.650432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.650432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.650432 (E_RNA) where: Base-Base interactions energy: -752.694 where: short stacking energy: -320.769 Base-Backbone interact. energy: -0.634 local terms energy: -364.322967 where: bonds (distance) C4'-P energy: -65.321 bonds (distance) P-C4' energy: -74.817 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -51.085 tors. eta vs tors. theta energy: -99.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1110.502924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.502924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.502924 (E_RNA) where: Base-Base interactions energy: -766.842 where: short stacking energy: -329.068 Base-Backbone interact. energy: -1.435 local terms energy: -342.225577 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -73.541 flat angles P-C4'-P energy: -37.313 tors. eta vs tors. theta energy: -106.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1061.151776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.151776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.151776 (E_RNA) where: Base-Base interactions energy: -727.757 where: short stacking energy: -297.515 Base-Backbone interact. energy: 3.322 local terms energy: -336.716246 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -69.146 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -89.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1004.083404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.083404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.083404 (E_RNA) where: Base-Base interactions energy: -684.129 where: short stacking energy: -295.841 Base-Backbone interact. energy: 0.083 local terms energy: -320.037127 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -62.465 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -83.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -968.428998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.428998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.428998 (E_RNA) where: Base-Base interactions energy: -642.175 where: short stacking energy: -269.720 Base-Backbone interact. energy: -0.503 local terms energy: -325.751081 where: bonds (distance) C4'-P energy: -67.904 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -69.183 flat angles P-C4'-P energy: -38.699 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: 6, replica: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -770.585119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.585119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.585119 (E_RNA) where: Base-Base interactions energy: -502.722 where: short stacking energy: -222.107 Base-Backbone interact. energy: -2.393 local terms energy: -265.469940 where: bonds (distance) C4'-P energy: -53.417 bonds (distance) P-C4' energy: -63.963 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -29.910 tors. eta vs tors. theta energy: -58.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -669.437787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.437787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.437787 (E_RNA) where: Base-Base interactions energy: -407.187 where: short stacking energy: -207.600 Base-Backbone interact. energy: -0.339 local terms energy: -261.912160 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -52.748 flat angles C4'-P-C4' energy: -62.627 flat angles P-C4'-P energy: -35.453 tors. eta vs tors. theta energy: -51.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -572.456152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.456152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.456152 (E_RNA) where: Base-Base interactions energy: -357.692 where: short stacking energy: -157.913 Base-Backbone interact. energy: -1.082 local terms energy: -213.681402 where: bonds (distance) C4'-P energy: -51.840 bonds (distance) P-C4' energy: -48.829 flat angles C4'-P-C4' energy: -55.152 flat angles P-C4'-P energy: -31.449 tors. eta vs tors. theta energy: -26.411 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: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -513.371271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.371271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.371271 (E_RNA) where: Base-Base interactions energy: -300.213 where: short stacking energy: -134.475 Base-Backbone interact. energy: -0.418 local terms energy: -212.740336 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -64.882 flat angles C4'-P-C4' energy: -50.045 flat angles P-C4'-P energy: -35.024 tors. eta vs tors. theta energy: -13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -350.428387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.428387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.428387 (E_RNA) where: Base-Base interactions energy: -159.738 where: short stacking energy: -94.834 Base-Backbone interact. energy: -0.067 local terms energy: -190.623227 where: bonds (distance) C4'-P energy: -70.343 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -23.985 flat angles P-C4'-P energy: -38.087 tors. eta vs tors. theta energy: -0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1104.834097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.834097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.834097 (E_RNA) where: Base-Base interactions energy: -757.339 where: short stacking energy: -330.620 Base-Backbone interact. energy: -0.964 local terms energy: -346.531724 where: bonds (distance) C4'-P energy: -60.786 bonds (distance) P-C4' energy: -63.716 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -100.192 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: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1105.959806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.959806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.959806 (E_RNA) where: Base-Base interactions energy: -766.961 where: short stacking energy: -336.267 Base-Backbone interact. energy: -1.249 local terms energy: -337.749565 where: bonds (distance) C4'-P energy: -54.861 bonds (distance) P-C4' energy: -58.492 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -105.463 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: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1048.574141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.574141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.574141 (E_RNA) where: Base-Base interactions energy: -761.223 where: short stacking energy: -323.516 Base-Backbone interact. energy: -2.990 local terms energy: -284.361451 where: bonds (distance) C4'-P energy: -51.451 bonds (distance) P-C4' energy: -56.714 flat angles C4'-P-C4' energy: -57.268 flat angles P-C4'-P energy: -38.308 tors. eta vs tors. theta energy: -80.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -985.480592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.480592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.480592 (E_RNA) where: Base-Base interactions energy: -664.626 where: short stacking energy: -301.638 Base-Backbone interact. energy: -0.309 local terms energy: -320.546354 where: bonds (distance) C4'-P energy: -61.032 bonds (distance) P-C4' energy: -51.868 flat angles C4'-P-C4' energy: -66.838 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -97.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -950.986270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.986270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.986270 (E_RNA) where: Base-Base interactions energy: -675.892 where: short stacking energy: -254.369 Base-Backbone interact. energy: -0.546 local terms energy: -274.548165 where: bonds (distance) C4'-P energy: -51.172 bonds (distance) P-C4' energy: -44.944 flat angles C4'-P-C4' energy: -60.800 flat angles P-C4'-P energy: -37.944 tors. eta vs tors. theta energy: -79.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -802.069041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.069041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.069041 (E_RNA) where: Base-Base interactions energy: -522.311 where: short stacking energy: -231.994 Base-Backbone interact. energy: 2.061 local terms energy: -281.819541 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -46.817 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -60.775 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: 3 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -661.937938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.937938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.937938 (E_RNA) where: Base-Base interactions energy: -408.092 where: short stacking energy: -216.774 Base-Backbone interact. energy: 1.358 local terms energy: -255.204272 where: bonds (distance) C4'-P energy: -53.684 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -48.113 flat angles P-C4'-P energy: -39.988 tors. eta vs tors. theta energy: -49.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -553.002517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.002517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.002517 (E_RNA) where: Base-Base interactions energy: -337.741 where: short stacking energy: -151.514 Base-Backbone interact. energy: 0.276 local terms energy: -215.537252 where: bonds (distance) C4'-P energy: -60.881 bonds (distance) P-C4' energy: -57.591 flat angles C4'-P-C4' energy: -42.055 flat angles P-C4'-P energy: -33.298 tors. eta vs tors. theta energy: -21.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -521.350037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.350037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.350037 (E_RNA) where: Base-Base interactions energy: -289.757 where: short stacking energy: -131.585 Base-Backbone interact. energy: 1.266 local terms energy: -232.859374 where: bonds (distance) C4'-P energy: -59.107 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -57.410 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: -22.009 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: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -309.617301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.617301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.617301 (E_RNA) where: Base-Base interactions energy: -123.912 where: short stacking energy: -79.242 Base-Backbone interact. energy: 1.247 local terms energy: -186.953044 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -50.527 flat angles C4'-P-C4' energy: -55.746 flat angles P-C4'-P energy: -28.840 tors. eta vs tors. theta energy: 4.495 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 79225834 moves confirmed later: 92368564 all moves confirmed: 171594398 percent of confirmed moves: 21.449300 current total energy: -1058.768183 recalc. total energy: -1058.768183 replica 10 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 52935306 moves confirmed later: 57838837 all moves confirmed: 110774143 percent of confirmed moves: 13.846768 current total energy: -1040.917359 recalc. total energy: -1040.917359 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 57391677 moves confirmed later: 64371824 all moves confirmed: 121763501 percent of confirmed moves: 15.220438 current total energy: -925.089664 recalc. total energy: -925.089664 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 62649621 moves confirmed later: 70731347 all moves confirmed: 133380968 percent of confirmed moves: 16.672621 current total energy: -893.057613 recalc. total energy: -893.057613 replica 8 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 59265578 moves confirmed later: 66456826 all moves confirmed: 125722404 percent of confirmed moves: 15.715300 current total energy: -848.672631 recalc. total energy: -848.672631 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 63576787 moves confirmed later: 71928176 all moves confirmed: 135504963 percent of confirmed moves: 16.938120 current total energy: -697.689065 recalc. total energy: -697.689065 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 76170008 moves confirmed later: 88431833 all moves confirmed: 164601841 percent of confirmed moves: 20.575230 current total energy: -586.627856 recalc. total energy: -586.627856 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 95016486 moves confirmed later: 112919412 all moves confirmed: 207935898 percent of confirmed moves: 25.991987 current total energy: -481.368404 recalc. total energy: -481.368404 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 116584877 moves confirmed later: 141196912 all moves confirmed: 257781789 percent of confirmed moves: 32.222724 current total energy: -410.138745 recalc. total energy: -410.138745 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 97235348 moves confirmed later: 115687891 all moves confirmed: 212923239 percent of confirmed moves: 26.615405 current total energy: -192.493803 recalc. total energy: -192.493803 out arg RESULTS//1/CTL-539e88fe_01 Time of doing 8000000 iterations: 15520.706 seconds