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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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/Domain1_MIR31HG-d1cf5152/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Domain1_MIR31HG-d1cf5152/inputs/seq.fa: 1 curr_seq: _ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: ACUCCCGCGCGCCCCUCUCGGGGACCAGGGCGGCCUCCCAGGAGGAGCUUGGUGAGCAGCUGCGACCUGUGCAUAACUUGGGGCGCCGCCAGGGGCUCGCAGGUUCCACGUCCGGCGCCUGGAGAAGGAAGACGCGCGUCCCCGGCCGCGGCGCCGAAGCCGGCUGGGGGACCGCCUGGUCCCGGGCCAGAGCUGGGAGGCGGUGUUCCGUGAGCCGCCUGGUCUGGGGUGCGGGGGGCGGGAAGCGGCCCCUUCGUGUG 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 260 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: 1305 n_atoms_counter: 1305 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 260.000000 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: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1046.132339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.132339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.132339 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -34.283 Base-Backbone interact. energy: -0.000 local terms energy: -1011.848699 where: bonds (distance) C4'-P energy: -252.610 bonds (distance) P-C4' energy: -233.504 flat angles C4'-P-C4' energy: -190.898 flat angles P-C4'-P energy: -218.367 tors. eta vs tors. theta energy: -116.468 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: 2 Temperature: 0.900000 Total energy: -1337.802719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.802719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.802719 (E_RNA) where: Base-Base interactions energy: -584.290 where: short stacking energy: -584.290 Base-Backbone interact. energy: -0.348 local terms energy: -753.164704 where: bonds (distance) C4'-P energy: -168.780 bonds (distance) P-C4' energy: -168.117 flat angles C4'-P-C4' energy: -168.630 flat angles P-C4'-P energy: -117.513 tors. eta vs tors. theta energy: -130.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1248.817459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.817459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.817459 (E_RNA) where: Base-Base interactions energy: -528.234 where: short stacking energy: -522.472 Base-Backbone interact. energy: 0.234 local terms energy: -720.817540 where: bonds (distance) C4'-P energy: -151.191 bonds (distance) P-C4' energy: -178.632 flat angles C4'-P-C4' energy: -182.500 flat angles P-C4'-P energy: -86.457 tors. eta vs tors. theta energy: -122.037 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1192.728590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.728590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.728590 (E_RNA) where: Base-Base interactions energy: -528.008 where: short stacking energy: -528.008 Base-Backbone interact. energy: -0.284 local terms energy: -664.436210 where: bonds (distance) C4'-P energy: -157.729 bonds (distance) P-C4' energy: -165.535 flat angles C4'-P-C4' energy: -152.986 flat angles P-C4'-P energy: -82.595 tors. eta vs tors. theta energy: -105.591 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1158.223230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.223230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.223230 (E_RNA) where: Base-Base interactions energy: -519.055 where: short stacking energy: -519.055 Base-Backbone interact. energy: 2.625 local terms energy: -641.793168 where: bonds (distance) C4'-P energy: -148.737 bonds (distance) P-C4' energy: -153.133 flat angles C4'-P-C4' energy: -142.855 flat angles P-C4'-P energy: -82.097 tors. eta vs tors. theta energy: -114.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1070.933215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.933215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.933215 (E_RNA) where: Base-Base interactions energy: -380.726 where: short stacking energy: -380.726 Base-Backbone interact. energy: -0.006 local terms energy: -690.201416 where: bonds (distance) C4'-P energy: -163.136 bonds (distance) P-C4' energy: -156.100 flat angles C4'-P-C4' energy: -163.635 flat angles P-C4'-P energy: -106.963 tors. eta vs tors. theta energy: -100.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1072.626004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.626004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.626004 (E_RNA) where: Base-Base interactions energy: -215.266 where: short stacking energy: -215.266 Base-Backbone interact. energy: -0.001 local terms energy: -857.359098 where: bonds (distance) C4'-P energy: -171.441 bonds (distance) P-C4' energy: -175.904 flat angles C4'-P-C4' energy: -186.615 flat angles P-C4'-P energy: -193.489 tors. eta vs tors. theta energy: -129.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1059.752477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.752477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.752477 (E_RNA) where: Base-Base interactions energy: -113.105 where: short stacking energy: -113.105 Base-Backbone interact. energy: -0.000 local terms energy: -946.646862 where: bonds (distance) C4'-P energy: -213.631 bonds (distance) P-C4' energy: -201.335 flat angles C4'-P-C4' energy: -195.006 flat angles P-C4'-P energy: -210.056 tors. eta vs tors. theta energy: -126.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1071.160806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.160806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.160806 (E_RNA) where: Base-Base interactions energy: -208.163 where: short stacking energy: -208.163 Base-Backbone interact. energy: -0.001 local terms energy: -862.997194 where: bonds (distance) C4'-P energy: -175.431 bonds (distance) P-C4' energy: -173.183 flat angles C4'-P-C4' energy: -192.612 flat angles P-C4'-P energy: -193.470 tors. eta vs tors. theta energy: -128.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1052.895197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.895197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.895197 (E_RNA) where: Base-Base interactions energy: -95.071 where: short stacking energy: -95.071 Base-Backbone interact. energy: -0.000 local terms energy: -957.824377 where: bonds (distance) C4'-P energy: -222.002 bonds (distance) P-C4' energy: -203.213 flat angles C4'-P-C4' energy: -196.611 flat angles P-C4'-P energy: -212.044 tors. eta vs tors. theta energy: -123.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1061.390201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.390201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.390201 (E_RNA) where: Base-Base interactions energy: -103.078 where: short stacking energy: -103.078 Base-Backbone interact. energy: -0.000 local terms energy: -958.311891 where: bonds (distance) C4'-P energy: -228.684 bonds (distance) P-C4' energy: -201.944 flat angles C4'-P-C4' energy: -193.425 flat angles P-C4'-P energy: -210.563 tors. eta vs tors. theta energy: -123.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1389.341905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.341905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.341905 (E_RNA) where: Base-Base interactions energy: -637.360 where: short stacking energy: -635.980 Base-Backbone interact. energy: 0.001 local terms energy: -751.982269 where: bonds (distance) C4'-P energy: -167.433 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -161.854 flat angles P-C4'-P energy: -117.090 tors. eta vs tors. theta energy: -143.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1324.951738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.951738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.951738 (E_RNA) where: Base-Base interactions energy: -596.487 where: short stacking energy: -587.370 Base-Backbone interact. energy: 0.790 local terms energy: -729.255004 where: bonds (distance) C4'-P energy: -158.426 bonds (distance) P-C4' energy: -161.447 flat angles C4'-P-C4' energy: -165.427 flat angles P-C4'-P energy: -112.663 tors. eta vs tors. theta energy: -131.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1257.875727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.875727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.875727 (E_RNA) where: Base-Base interactions energy: -558.138 where: short stacking energy: -528.178 Base-Backbone interact. energy: -0.517 local terms energy: -699.220099 where: bonds (distance) C4'-P energy: -154.468 bonds (distance) P-C4' energy: -179.565 flat angles C4'-P-C4' energy: -151.216 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -120.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1103.427378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.427378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.427378 (E_RNA) where: Base-Base interactions energy: -453.420 where: short stacking energy: -425.225 Base-Backbone interact. energy: 3.173 local terms energy: -653.180669 where: bonds (distance) C4'-P energy: -162.785 bonds (distance) P-C4' energy: -168.934 flat angles C4'-P-C4' energy: -139.009 flat angles P-C4'-P energy: -103.373 tors. eta vs tors. theta energy: -79.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1039.827594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.827594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.827594 (E_RNA) where: Base-Base interactions energy: -446.452 where: short stacking energy: -436.471 Base-Backbone interact. energy: -0.233 local terms energy: -593.142056 where: bonds (distance) C4'-P energy: -142.389 bonds (distance) P-C4' energy: -135.372 flat angles C4'-P-C4' energy: -140.861 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -85.332 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -963.302099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.302099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.302099 (E_RNA) where: Base-Base interactions energy: -417.591 where: short stacking energy: -333.098 Base-Backbone interact. energy: 1.168 local terms energy: -546.879288 where: bonds (distance) C4'-P energy: -139.716 bonds (distance) P-C4' energy: -170.033 flat angles C4'-P-C4' energy: -120.292 flat angles P-C4'-P energy: -90.853 tors. eta vs tors. theta energy: -25.985 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -870.203340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.203340 (E_RNA) where: Base-Base interactions energy: -367.253 where: short stacking energy: -359.402 Base-Backbone interact. energy: 7.951 local terms energy: -510.900835 where: bonds (distance) C4'-P energy: -127.701 bonds (distance) P-C4' energy: -155.847 flat angles C4'-P-C4' energy: -109.664 flat angles P-C4'-P energy: -77.704 tors. eta vs tors. theta energy: -39.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -846.984683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.984683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.984683 (E_RNA) where: Base-Base interactions energy: -350.292 where: short stacking energy: -323.348 Base-Backbone interact. energy: 0.364 local terms energy: -497.056679 where: bonds (distance) C4'-P energy: -140.375 bonds (distance) P-C4' energy: -143.683 flat angles C4'-P-C4' energy: -118.372 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: -37.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -736.498044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.498044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.498044 (E_RNA) where: Base-Base interactions energy: -281.105 where: short stacking energy: -249.375 Base-Backbone interact. energy: 0.938 local terms energy: -456.331428 where: bonds (distance) C4'-P energy: -141.369 bonds (distance) P-C4' energy: -132.692 flat angles C4'-P-C4' energy: -111.332 flat angles P-C4'-P energy: -69.965 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -720.355923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.355923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.355923 (E_RNA) where: Base-Base interactions energy: -262.024 where: short stacking energy: -217.156 Base-Backbone interact. energy: 3.046 local terms energy: -461.377279 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -137.797 flat angles C4'-P-C4' energy: -121.175 flat angles P-C4'-P energy: -75.645 tors. eta vs tors. theta energy: 0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1413.972076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.972076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.972076 (E_RNA) where: Base-Base interactions energy: -647.240 where: short stacking energy: -623.653 Base-Backbone interact. energy: -0.369 local terms energy: -766.363307 where: bonds (distance) C4'-P energy: -165.934 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -176.954 flat angles P-C4'-P energy: -125.479 tors. eta vs tors. theta energy: -137.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1334.729591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.729591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.729591 (E_RNA) where: Base-Base interactions energy: -605.896 where: short stacking energy: -605.703 Base-Backbone interact. energy: 0.388 local terms energy: -729.221284 where: bonds (distance) C4'-P energy: -162.482 bonds (distance) P-C4' energy: -150.412 flat angles C4'-P-C4' energy: -146.630 flat angles P-C4'-P energy: -114.367 tors. eta vs tors. theta energy: -155.329 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1309.059778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.059778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.059778 (E_RNA) where: Base-Base interactions energy: -634.098 where: short stacking energy: -578.374 Base-Backbone interact. energy: 1.294 local terms energy: -676.255982 where: bonds (distance) C4'-P energy: -140.112 bonds (distance) P-C4' energy: -162.285 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -132.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1150.674220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.674220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.674220 (E_RNA) where: Base-Base interactions energy: -500.645 where: short stacking energy: -471.102 Base-Backbone interact. energy: -0.951 local terms energy: -649.078003 where: bonds (distance) C4'-P energy: -138.078 bonds (distance) P-C4' energy: -163.353 flat angles C4'-P-C4' energy: -153.018 flat angles P-C4'-P energy: -93.881 tors. eta vs tors. theta energy: -100.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1115.857158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.857158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.857158 (E_RNA) where: Base-Base interactions energy: -542.485 where: short stacking energy: -469.819 Base-Backbone interact. energy: 0.713 local terms energy: -574.085437 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -150.875 flat angles P-C4'-P energy: -76.685 tors. eta vs tors. theta energy: -77.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1124.641459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.641459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.641459 (E_RNA) where: Base-Base interactions energy: -588.381 where: short stacking energy: -380.417 Base-Backbone interact. energy: -1.257 local terms energy: -535.003626 where: bonds (distance) C4'-P energy: -141.441 bonds (distance) P-C4' energy: -138.397 flat angles C4'-P-C4' energy: -126.651 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -47.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -919.848611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.848611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.848611 (E_RNA) where: Base-Base interactions energy: -405.020 where: short stacking energy: -305.394 Base-Backbone interact. energy: 0.795 local terms energy: -515.624237 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -128.897 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -27.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -874.706475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.706475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.706475 (E_RNA) where: Base-Base interactions energy: -381.390 where: short stacking energy: -286.126 Base-Backbone interact. energy: -0.508 local terms energy: -492.808261 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -132.052 flat angles C4'-P-C4' energy: -109.351 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -29.980 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: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -747.147795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.147795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.147795 (E_RNA) where: Base-Base interactions energy: -308.482 where: short stacking energy: -254.361 Base-Backbone interact. energy: 6.901 local terms energy: -445.566531 where: bonds (distance) C4'-P energy: -132.536 bonds (distance) P-C4' energy: -135.888 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -87.060 tors. eta vs tors. theta energy: 3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -700.628064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.628064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.628064 (E_RNA) where: Base-Base interactions energy: -297.054 where: short stacking energy: -228.891 Base-Backbone interact. energy: 3.054 local terms energy: -406.627834 where: bonds (distance) C4'-P energy: -108.778 bonds (distance) P-C4' energy: -137.535 flat angles C4'-P-C4' energy: -109.091 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: 8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1573.009751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.009751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.009751 (E_RNA) where: Base-Base interactions energy: -764.598 where: short stacking energy: -700.561 Base-Backbone interact. energy: 0.283 local terms energy: -808.695041 where: bonds (distance) C4'-P energy: -157.525 bonds (distance) P-C4' energy: -178.444 flat angles C4'-P-C4' energy: -182.647 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -182.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1406.995731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.995731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.995731 (E_RNA) where: Base-Base interactions energy: -647.520 where: short stacking energy: -621.546 Base-Backbone interact. energy: -0.642 local terms energy: -758.834062 where: bonds (distance) C4'-P energy: -146.250 bonds (distance) P-C4' energy: -171.789 flat angles C4'-P-C4' energy: -166.951 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -166.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1343.154987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.154987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.154987 (E_RNA) where: Base-Base interactions energy: -655.852 where: short stacking energy: -556.500 Base-Backbone interact. energy: 0.799 local terms energy: -688.102486 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -163.604 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -119.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1148.684704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.684704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.684704 (E_RNA) where: Base-Base interactions energy: -498.263 where: short stacking energy: -460.187 Base-Backbone interact. energy: 1.850 local terms energy: -652.271698 where: bonds (distance) C4'-P energy: -138.522 bonds (distance) P-C4' energy: -167.268 flat angles C4'-P-C4' energy: -144.419 flat angles P-C4'-P energy: -108.171 tors. eta vs tors. theta energy: -93.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1148.256529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.256529 (E_RNA) where: Base-Base interactions energy: -566.233 where: short stacking energy: -427.816 Base-Backbone interact. energy: -0.318 local terms energy: -581.705010 where: bonds (distance) C4'-P energy: -127.428 bonds (distance) P-C4' energy: -141.567 flat angles C4'-P-C4' energy: -163.059 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -65.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1122.360833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.360833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.360833 (E_RNA) where: Base-Base interactions energy: -577.426 where: short stacking energy: -406.851 Base-Backbone interact. energy: 3.167 local terms energy: -548.101942 where: bonds (distance) C4'-P energy: -134.595 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -129.804 flat angles P-C4'-P energy: -86.945 tors. eta vs tors. theta energy: -64.795 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1037.239297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.239297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.239297 (E_RNA) where: Base-Base interactions energy: -511.175 where: short stacking energy: -377.718 Base-Backbone interact. energy: -1.108 local terms energy: -524.957105 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -155.469 flat angles C4'-P-C4' energy: -137.285 flat angles P-C4'-P energy: -58.951 tors. eta vs tors. theta energy: -45.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -916.391052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.391052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.391052 (E_RNA) where: Base-Base interactions energy: -407.335 where: short stacking energy: -312.299 Base-Backbone interact. energy: 1.127 local terms energy: -510.182219 where: bonds (distance) C4'-P energy: -145.821 bonds (distance) P-C4' energy: -147.014 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -22.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -854.920775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.920775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.920775 (E_RNA) where: Base-Base interactions energy: -393.309 where: short stacking energy: -279.057 Base-Backbone interact. energy: -0.504 local terms energy: -461.107600 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -145.074 flat angles C4'-P-C4' energy: -111.546 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -16.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -785.508768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.508768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.508768 (E_RNA) where: Base-Base interactions energy: -350.894 where: short stacking energy: -270.806 Base-Backbone interact. energy: 0.042 local terms energy: -434.656103 where: bonds (distance) C4'-P energy: -121.188 bonds (distance) P-C4' energy: -114.695 flat angles C4'-P-C4' energy: -112.566 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: -25.557 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1496.785248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.785248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.785248 (E_RNA) where: Base-Base interactions energy: -723.897 where: short stacking energy: -645.971 Base-Backbone interact. energy: 1.562 local terms energy: -774.449665 where: bonds (distance) C4'-P energy: -163.020 bonds (distance) P-C4' energy: -172.895 flat angles C4'-P-C4' energy: -169.628 flat angles P-C4'-P energy: -112.825 tors. eta vs tors. theta energy: -156.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1402.242187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.242187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.242187 (E_RNA) where: Base-Base interactions energy: -631.950 where: short stacking energy: -600.464 Base-Backbone interact. energy: 1.828 local terms energy: -772.120372 where: bonds (distance) C4'-P energy: -162.546 bonds (distance) P-C4' energy: -183.865 flat angles C4'-P-C4' energy: -154.743 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -156.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1359.470917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.470917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.470917 (E_RNA) where: Base-Base interactions energy: -694.944 where: short stacking energy: -520.778 Base-Backbone interact. energy: -0.116 local terms energy: -664.411120 where: bonds (distance) C4'-P energy: -143.134 bonds (distance) P-C4' energy: -164.268 flat angles C4'-P-C4' energy: -155.265 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -112.276 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: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1284.823896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.823896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.823896 (E_RNA) where: Base-Base interactions energy: -626.906 where: short stacking energy: -516.280 Base-Backbone interact. energy: -0.444 local terms energy: -657.473518 where: bonds (distance) C4'-P energy: -136.341 bonds (distance) P-C4' energy: -167.879 flat angles C4'-P-C4' energy: -155.238 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -106.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1210.606913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.606913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.606913 (E_RNA) where: Base-Base interactions energy: -584.266 where: short stacking energy: -437.914 Base-Backbone interact. energy: 2.512 local terms energy: -628.852898 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -149.999 flat angles C4'-P-C4' energy: -151.153 flat angles P-C4'-P energy: -111.714 tors. eta vs tors. theta energy: -71.863 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: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1168.863703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.863703 (E_RNA) where: Base-Base interactions energy: -582.630 where: short stacking energy: -418.362 Base-Backbone interact. energy: 1.458 local terms energy: -587.691959 where: bonds (distance) C4'-P energy: -154.498 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -148.924 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -53.685 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: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1058.504796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.504796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.504796 (E_RNA) where: Base-Base interactions energy: -514.028 where: short stacking energy: -324.167 Base-Backbone interact. energy: 1.298 local terms energy: -545.775013 where: bonds (distance) C4'-P energy: -137.515 bonds (distance) P-C4' energy: -143.176 flat angles C4'-P-C4' energy: -143.653 flat angles P-C4'-P energy: -84.274 tors. eta vs tors. theta energy: -37.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -887.597807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.597807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.597807 (E_RNA) where: Base-Base interactions energy: -422.207 where: short stacking energy: -307.406 Base-Backbone interact. energy: 0.227 local terms energy: -465.618244 where: bonds (distance) C4'-P energy: -118.274 bonds (distance) P-C4' energy: -137.224 flat angles C4'-P-C4' energy: -121.734 flat angles P-C4'-P energy: -74.588 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -820.653080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.653080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.653080 (E_RNA) where: Base-Base interactions energy: -379.361 where: short stacking energy: -253.939 Base-Backbone interact. energy: -0.119 local terms energy: -441.172972 where: bonds (distance) C4'-P energy: -118.936 bonds (distance) P-C4' energy: -152.428 flat angles C4'-P-C4' energy: -103.285 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -763.245382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.245382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.245382 (E_RNA) where: Base-Base interactions energy: -351.203 where: short stacking energy: -239.065 Base-Backbone interact. energy: -3.584 local terms energy: -408.458293 where: bonds (distance) C4'-P energy: -110.066 bonds (distance) P-C4' energy: -126.373 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: 16.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1555.405090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.405090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.405090 (E_RNA) where: Base-Base interactions energy: -773.863 where: short stacking energy: -697.598 Base-Backbone interact. energy: -0.489 local terms energy: -781.053417 where: bonds (distance) C4'-P energy: -160.771 bonds (distance) P-C4' energy: -152.442 flat angles C4'-P-C4' energy: -168.869 flat angles P-C4'-P energy: -130.638 tors. eta vs tors. theta energy: -168.334 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: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1608.374863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.374863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.374863 (E_RNA) where: Base-Base interactions energy: -873.931 where: short stacking energy: -637.731 Base-Backbone interact. energy: -1.631 local terms energy: -732.812800 where: bonds (distance) C4'-P energy: -159.807 bonds (distance) P-C4' energy: -145.306 flat angles C4'-P-C4' energy: -159.878 flat angles P-C4'-P energy: -112.496 tors. eta vs tors. theta energy: -155.326 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: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1346.269637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.269637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.269637 (E_RNA) where: Base-Base interactions energy: -656.459 where: short stacking energy: -600.945 Base-Backbone interact. energy: -1.537 local terms energy: -688.273457 where: bonds (distance) C4'-P energy: -151.762 bonds (distance) P-C4' energy: -147.359 flat angles C4'-P-C4' energy: -162.614 flat angles P-C4'-P energy: -97.546 tors. eta vs tors. theta energy: -128.992 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: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1358.702935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.702935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.702935 (E_RNA) where: Base-Base interactions energy: -715.756 where: short stacking energy: -522.493 Base-Backbone interact. energy: 2.172 local terms energy: -645.118061 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -158.640 flat angles C4'-P-C4' energy: -147.154 flat angles P-C4'-P energy: -92.107 tors. eta vs tors. theta energy: -97.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1191.333058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.333058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.333058 (E_RNA) where: Base-Base interactions energy: -571.407 where: short stacking energy: -482.099 Base-Backbone interact. energy: 2.384 local terms energy: -622.309710 where: bonds (distance) C4'-P energy: -160.515 bonds (distance) P-C4' energy: -143.304 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -92.170 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: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1194.286589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.286589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.286589 (E_RNA) where: Base-Base interactions energy: -629.711 where: short stacking energy: -455.059 Base-Backbone interact. energy: 1.920 local terms energy: -566.495595 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -125.669 flat angles C4'-P-C4' energy: -149.771 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -78.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1233.793188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.793188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.793188 (E_RNA) where: Base-Base interactions energy: -686.372 where: short stacking energy: -394.640 Base-Backbone interact. energy: 2.122 local terms energy: -549.542942 where: bonds (distance) C4'-P energy: -118.595 bonds (distance) P-C4' energy: -135.370 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -66.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1027.904957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.904957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.904957 (E_RNA) where: Base-Base interactions energy: -523.763 where: short stacking energy: -322.115 Base-Backbone interact. energy: 7.562 local terms energy: -511.703729 where: bonds (distance) C4'-P energy: -143.931 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -117.609 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -35.123 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -909.172874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.172874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.172874 (E_RNA) where: Base-Base interactions energy: -443.873 where: short stacking energy: -293.256 Base-Backbone interact. energy: 2.798 local terms energy: -468.098417 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -132.734 flat angles C4'-P-C4' energy: -119.996 flat angles P-C4'-P energy: -59.382 tors. eta vs tors. theta energy: -13.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -860.602834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.602834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.602834 (E_RNA) where: Base-Base interactions energy: -401.540 where: short stacking energy: -289.354 Base-Backbone interact. energy: 0.358 local terms energy: -459.420018 where: bonds (distance) C4'-P energy: -122.581 bonds (distance) P-C4' energy: -147.316 flat angles C4'-P-C4' energy: -116.734 flat angles P-C4'-P energy: -70.031 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1590.318297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.318297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.318297 (E_RNA) where: Base-Base interactions energy: -810.186 where: short stacking energy: -686.469 Base-Backbone interact. energy: -2.126 local terms energy: -778.006392 where: bonds (distance) C4'-P energy: -148.407 bonds (distance) P-C4' energy: -171.924 flat angles C4'-P-C4' energy: -177.608 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -158.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1617.988017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.988017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.988017 (E_RNA) where: Base-Base interactions energy: -889.693 where: short stacking energy: -598.642 Base-Backbone interact. energy: 5.689 local terms energy: -733.984233 where: bonds (distance) C4'-P energy: -167.238 bonds (distance) P-C4' energy: -168.983 flat angles C4'-P-C4' energy: -155.870 flat angles P-C4'-P energy: -107.573 tors. eta vs tors. theta energy: -134.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1523.047611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.047611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.047611 (E_RNA) where: Base-Base interactions energy: -833.512 where: short stacking energy: -555.270 Base-Backbone interact. energy: -1.821 local terms energy: -687.715308 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -173.242 flat angles C4'-P-C4' energy: -159.979 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -120.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1286.802474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.802474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.802474 (E_RNA) where: Base-Base interactions energy: -645.688 where: short stacking energy: -535.666 Base-Backbone interact. energy: 1.457 local terms energy: -642.571827 where: bonds (distance) C4'-P energy: -137.874 bonds (distance) P-C4' energy: -137.982 flat angles C4'-P-C4' energy: -154.026 flat angles P-C4'-P energy: -92.898 tors. eta vs tors. theta energy: -119.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1242.901511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.901511 (E_RNA) where: Base-Base interactions energy: -614.572 where: short stacking energy: -451.838 Base-Backbone interact. energy: -2.725 local terms energy: -625.603900 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -146.714 flat angles C4'-P-C4' energy: -125.612 flat angles P-C4'-P energy: -96.422 tors. eta vs tors. theta energy: -98.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1284.551560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.551560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.551560 (E_RNA) where: Base-Base interactions energy: -726.579 where: short stacking energy: -428.296 Base-Backbone interact. energy: 3.107 local terms energy: -561.079758 where: bonds (distance) C4'-P energy: -165.104 bonds (distance) P-C4' energy: -141.575 flat angles C4'-P-C4' energy: -126.231 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -59.758 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: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1272.973866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.973866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.973866 (E_RNA) where: Base-Base interactions energy: -747.784 where: short stacking energy: -450.121 Base-Backbone interact. energy: 0.005 local terms energy: -525.194148 where: bonds (distance) C4'-P energy: -113.339 bonds (distance) P-C4' energy: -132.390 flat angles C4'-P-C4' energy: -132.403 flat angles P-C4'-P energy: -61.213 tors. eta vs tors. theta energy: -85.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1102.422435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.422435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.422435 (E_RNA) where: Base-Base interactions energy: -593.589 where: short stacking energy: -377.434 Base-Backbone interact. energy: -1.709 local terms energy: -507.124475 where: bonds (distance) C4'-P energy: -129.481 bonds (distance) P-C4' energy: -132.562 flat angles C4'-P-C4' energy: -117.564 flat angles P-C4'-P energy: -81.767 tors. eta vs tors. theta energy: -45.751 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -876.365496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.365496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.365496 (E_RNA) where: Base-Base interactions energy: -424.419 where: short stacking energy: -283.501 Base-Backbone interact. energy: 1.376 local terms energy: -453.322529 where: bonds (distance) C4'-P energy: -133.159 bonds (distance) P-C4' energy: -132.386 flat angles C4'-P-C4' energy: -104.914 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -10.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -871.971836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.971836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.971836 (E_RNA) where: Base-Base interactions energy: -447.428 where: short stacking energy: -269.637 Base-Backbone interact. energy: 2.539 local terms energy: -427.082899 where: bonds (distance) C4'-P energy: -137.171 bonds (distance) P-C4' energy: -119.545 flat angles C4'-P-C4' energy: -125.252 flat angles P-C4'-P energy: -53.946 tors. eta vs tors. theta energy: 8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1649.942506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.942506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.942506 (E_RNA) where: Base-Base interactions energy: -862.391 where: short stacking energy: -684.990 Base-Backbone interact. energy: -0.159 local terms energy: -787.392313 where: bonds (distance) C4'-P energy: -152.626 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -178.292 flat angles P-C4'-P energy: -107.744 tors. eta vs tors. theta energy: -177.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1679.114710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.114710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.114710 (E_RNA) where: Base-Base interactions energy: -965.512 where: short stacking energy: -655.593 Base-Backbone interact. energy: -0.374 local terms energy: -713.228489 where: bonds (distance) C4'-P energy: -147.167 bonds (distance) P-C4' energy: -153.910 flat angles C4'-P-C4' energy: -173.501 flat angles P-C4'-P energy: -84.911 tors. eta vs tors. theta energy: -153.739 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: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1531.528337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.528337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.528337 (E_RNA) where: Base-Base interactions energy: -837.447 where: short stacking energy: -554.379 Base-Backbone interact. energy: 3.048 local terms energy: -697.129247 where: bonds (distance) C4'-P energy: -135.411 bonds (distance) P-C4' energy: -178.754 flat angles C4'-P-C4' energy: -154.467 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -133.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1395.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.705047 (E_RNA) where: Base-Base interactions energy: -714.746 where: short stacking energy: -525.370 Base-Backbone interact. energy: -3.014 local terms energy: -677.945246 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -166.067 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -116.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1238.330973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.330973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.330973 (E_RNA) where: Base-Base interactions energy: -620.776 where: short stacking energy: -436.139 Base-Backbone interact. energy: -0.107 local terms energy: -617.447480 where: bonds (distance) C4'-P energy: -145.260 bonds (distance) P-C4' energy: -146.677 flat angles C4'-P-C4' energy: -147.045 flat angles P-C4'-P energy: -105.937 tors. eta vs tors. theta energy: -72.528 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: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1451.565627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.565627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.565627 (E_RNA) where: Base-Base interactions energy: -862.546 where: short stacking energy: -464.359 Base-Backbone interact. energy: -1.437 local terms energy: -587.582926 where: bonds (distance) C4'-P energy: -133.450 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -140.901 flat angles P-C4'-P energy: -85.605 tors. eta vs tors. theta energy: -91.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1207.634909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.634909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.634909 (E_RNA) where: Base-Base interactions energy: -697.549 where: short stacking energy: -379.260 Base-Backbone interact. energy: 1.312 local terms energy: -511.397748 where: bonds (distance) C4'-P energy: -127.263 bonds (distance) P-C4' energy: -129.889 flat angles C4'-P-C4' energy: -132.723 flat angles P-C4'-P energy: -72.405 tors. eta vs tors. theta energy: -49.118 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1053.696934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.696934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.696934 (E_RNA) where: Base-Base interactions energy: -534.609 where: short stacking energy: -312.775 Base-Backbone interact. energy: 1.582 local terms energy: -520.670151 where: bonds (distance) C4'-P energy: -126.858 bonds (distance) P-C4' energy: -155.763 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -66.343 tors. eta vs tors. theta energy: -32.859 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: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -949.153422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.153422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.153422 (E_RNA) where: Base-Base interactions energy: -481.913 where: short stacking energy: -285.983 Base-Backbone interact. energy: 4.050 local terms energy: -471.290311 where: bonds (distance) C4'-P energy: -118.156 bonds (distance) P-C4' energy: -133.203 flat angles C4'-P-C4' energy: -149.457 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -20.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -857.688922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.688922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.688922 (E_RNA) where: Base-Base interactions energy: -443.190 where: short stacking energy: -289.522 Base-Backbone interact. energy: 2.729 local terms energy: -417.228480 where: bonds (distance) C4'-P energy: -122.452 bonds (distance) P-C4' energy: -131.240 flat angles C4'-P-C4' energy: -106.140 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: 7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1642.787918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.787918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.787918 (E_RNA) where: Base-Base interactions energy: -882.674 where: short stacking energy: -687.787 Base-Backbone interact. energy: 12.466 local terms energy: -772.580786 where: bonds (distance) C4'-P energy: -157.344 bonds (distance) P-C4' energy: -163.109 flat angles C4'-P-C4' energy: -178.517 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -163.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1702.394533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.394533 (E_RNA) where: Base-Base interactions energy: -974.232 where: short stacking energy: -596.549 Base-Backbone interact. energy: -0.866 local terms energy: -727.297004 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -169.019 flat angles P-C4'-P energy: -112.236 tors. eta vs tors. theta energy: -135.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1491.197278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.197278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.197278 (E_RNA) where: Base-Base interactions energy: -824.659 where: short stacking energy: -542.616 Base-Backbone interact. energy: -0.607 local terms energy: -665.931516 where: bonds (distance) C4'-P energy: -147.245 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -159.963 flat angles P-C4'-P energy: -99.074 tors. eta vs tors. theta energy: -109.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1396.574236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.574236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.574236 (E_RNA) where: Base-Base interactions energy: -751.512 where: short stacking energy: -491.231 Base-Backbone interact. energy: -4.023 local terms energy: -641.039810 where: bonds (distance) C4'-P energy: -135.783 bonds (distance) P-C4' energy: -150.156 flat angles C4'-P-C4' energy: -152.979 flat angles P-C4'-P energy: -103.266 tors. eta vs tors. theta energy: -98.856 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: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1517.029033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.029033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.029033 (E_RNA) where: Base-Base interactions energy: -907.920 where: short stacking energy: -483.480 Base-Backbone interact. energy: -0.537 local terms energy: -608.571450 where: bonds (distance) C4'-P energy: -144.673 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -87.593 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: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1205.222778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.222778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.222778 (E_RNA) where: Base-Base interactions energy: -639.447 where: short stacking energy: -383.125 Base-Backbone interact. energy: 4.176 local terms energy: -569.951406 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -137.342 flat angles C4'-P-C4' energy: -144.260 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -77.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1201.931061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.931061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.931061 (E_RNA) where: Base-Base interactions energy: -647.313 where: short stacking energy: -369.142 Base-Backbone interact. energy: 0.700 local terms energy: -555.318530 where: bonds (distance) C4'-P energy: -137.760 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -145.176 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: -34.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1044.238195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.238195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.238195 (E_RNA) where: Base-Base interactions energy: -570.814 where: short stacking energy: -327.408 Base-Backbone interact. energy: 1.802 local terms energy: -475.226382 where: bonds (distance) C4'-P energy: -131.770 bonds (distance) P-C4' energy: -136.453 flat angles C4'-P-C4' energy: -123.820 flat angles P-C4'-P energy: -83.607 tors. eta vs tors. theta energy: 0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -988.826567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.826567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.826567 (E_RNA) where: Base-Base interactions energy: -534.325 where: short stacking energy: -331.657 Base-Backbone interact. energy: 0.753 local terms energy: -455.253951 where: bonds (distance) C4'-P energy: -107.262 bonds (distance) P-C4' energy: -149.468 flat angles C4'-P-C4' energy: -93.455 flat angles P-C4'-P energy: -74.416 tors. eta vs tors. theta energy: -30.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -856.609603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.609603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.609603 (E_RNA) where: Base-Base interactions energy: -429.215 where: short stacking energy: -259.647 Base-Backbone interact. energy: 1.914 local terms energy: -429.308552 where: bonds (distance) C4'-P energy: -117.739 bonds (distance) P-C4' energy: -134.905 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -63.057 tors. eta vs tors. theta energy: -11.277 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: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1660.871374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.871374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.871374 (E_RNA) where: Base-Base interactions energy: -905.803 where: short stacking energy: -675.809 Base-Backbone interact. energy: -1.103 local terms energy: -753.964797 where: bonds (distance) C4'-P energy: -157.857 bonds (distance) P-C4' energy: -162.115 flat angles C4'-P-C4' energy: -166.401 flat angles P-C4'-P energy: -108.597 tors. eta vs tors. theta energy: -158.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1848.430730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.430730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.430730 (E_RNA) where: Base-Base interactions energy: -1142.705 where: short stacking energy: -653.254 Base-Backbone interact. energy: -1.720 local terms energy: -704.006397 where: bonds (distance) C4'-P energy: -146.242 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -163.769 flat angles P-C4'-P energy: -103.905 tors. eta vs tors. theta energy: -133.434 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: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1572.228429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.228429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.228429 (E_RNA) where: Base-Base interactions energy: -885.519 where: short stacking energy: -575.134 Base-Backbone interact. energy: -0.970 local terms energy: -685.739503 where: bonds (distance) C4'-P energy: -150.653 bonds (distance) P-C4' energy: -159.279 flat angles C4'-P-C4' energy: -155.984 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -118.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1677.428503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.428503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.428503 (E_RNA) where: Base-Base interactions energy: -1027.750 where: short stacking energy: -537.095 Base-Backbone interact. energy: -2.911 local terms energy: -646.767820 where: bonds (distance) C4'-P energy: -131.191 bonds (distance) P-C4' energy: -158.054 flat angles C4'-P-C4' energy: -158.976 flat angles P-C4'-P energy: -92.354 tors. eta vs tors. theta energy: -106.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1382.493727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.493727 (E_RNA) where: Base-Base interactions energy: -749.458 where: short stacking energy: -477.678 Base-Backbone interact. energy: 1.949 local terms energy: -634.983830 where: bonds (distance) C4'-P energy: -116.593 bonds (distance) P-C4' energy: -154.888 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -104.584 tors. eta vs tors. theta energy: -109.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1266.459492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.459492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.459492 (E_RNA) where: Base-Base interactions energy: -689.525 where: short stacking energy: -418.874 Base-Backbone interact. energy: 4.098 local terms energy: -581.031917 where: bonds (distance) C4'-P energy: -130.002 bonds (distance) P-C4' energy: -155.412 flat angles C4'-P-C4' energy: -142.625 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -56.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1189.492306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.492306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.492306 (E_RNA) where: Base-Base interactions energy: -645.232 where: short stacking energy: -387.358 Base-Backbone interact. energy: 0.547 local terms energy: -544.807338 where: bonds (distance) C4'-P energy: -118.664 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -134.873 flat angles P-C4'-P energy: -84.135 tors. eta vs tors. theta energy: -60.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1079.674497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.674497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.674497 (E_RNA) where: Base-Base interactions energy: -540.302 where: short stacking energy: -321.801 Base-Backbone interact. energy: -0.486 local terms energy: -538.886989 where: bonds (distance) C4'-P energy: -136.264 bonds (distance) P-C4' energy: -158.161 flat angles C4'-P-C4' energy: -137.131 flat angles P-C4'-P energy: -74.780 tors. eta vs tors. theta energy: -32.552 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: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1002.869829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.869829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.869829 (E_RNA) where: Base-Base interactions energy: -513.023 where: short stacking energy: -327.420 Base-Backbone interact. energy: -3.804 local terms energy: -486.042704 where: bonds (distance) C4'-P energy: -116.139 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -123.753 flat angles P-C4'-P energy: -84.798 tors. eta vs tors. theta energy: -36.162 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -880.232036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.232036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.232036 (E_RNA) where: Base-Base interactions energy: -435.557 where: short stacking energy: -264.526 Base-Backbone interact. energy: 0.575 local terms energy: -445.249708 where: bonds (distance) C4'-P energy: -116.669 bonds (distance) P-C4' energy: -149.627 flat angles C4'-P-C4' energy: -130.987 flat angles P-C4'-P energy: -63.238 tors. eta vs tors. theta energy: 15.271 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1929.109895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.109895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.109895 (E_RNA) where: Base-Base interactions energy: -1148.233 where: short stacking energy: -686.995 Base-Backbone interact. energy: -0.034 local terms energy: -780.842572 where: bonds (distance) C4'-P energy: -162.620 bonds (distance) P-C4' energy: -150.374 flat angles C4'-P-C4' energy: -176.388 flat angles P-C4'-P energy: -119.833 tors. eta vs tors. theta energy: -171.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1632.677466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.677466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.677466 (E_RNA) where: Base-Base interactions energy: -898.781 where: short stacking energy: -634.678 Base-Backbone interact. energy: 3.806 local terms energy: -737.702765 where: bonds (distance) C4'-P energy: -150.522 bonds (distance) P-C4' energy: -143.430 flat angles C4'-P-C4' energy: -166.412 flat angles P-C4'-P energy: -122.871 tors. eta vs tors. theta energy: -154.468 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: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1898.539460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.539460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.539460 (E_RNA) where: Base-Base interactions energy: -1166.716 where: short stacking energy: -687.648 Base-Backbone interact. energy: -0.103 local terms energy: -731.720806 where: bonds (distance) C4'-P energy: -143.882 bonds (distance) P-C4' energy: -171.658 flat angles C4'-P-C4' energy: -170.689 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -155.522 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: 12 Temperature: 1.050000 Total energy: -1508.661933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.661933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.661933 (E_RNA) where: Base-Base interactions energy: -867.496 where: short stacking energy: -492.998 Base-Backbone interact. energy: -1.541 local terms energy: -639.624768 where: bonds (distance) C4'-P energy: -144.540 bonds (distance) P-C4' energy: -167.184 flat angles C4'-P-C4' energy: -145.093 flat angles P-C4'-P energy: -92.717 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: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1404.214029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.214029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.214029 (E_RNA) where: Base-Base interactions energy: -792.901 where: short stacking energy: -499.093 Base-Backbone interact. energy: -2.235 local terms energy: -609.077863 where: bonds (distance) C4'-P energy: -155.801 bonds (distance) P-C4' energy: -150.922 flat angles C4'-P-C4' energy: -139.839 flat angles P-C4'-P energy: -74.024 tors. eta vs tors. theta energy: -88.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1320.341726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.341726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.341726 (E_RNA) where: Base-Base interactions energy: -748.759 where: short stacking energy: -453.410 Base-Backbone interact. energy: 2.880 local terms energy: -574.462268 where: bonds (distance) C4'-P energy: -137.562 bonds (distance) P-C4' energy: -137.104 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -95.524 tors. eta vs tors. theta energy: -89.583 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: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1196.130731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.130731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.130731 (E_RNA) where: Base-Base interactions energy: -664.255 where: short stacking energy: -361.388 Base-Backbone interact. energy: 4.864 local terms energy: -536.739046 where: bonds (distance) C4'-P energy: -137.852 bonds (distance) P-C4' energy: -160.131 flat angles C4'-P-C4' energy: -134.241 flat angles P-C4'-P energy: -74.556 tors. eta vs tors. theta energy: -29.959 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: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1160.122135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.122135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.122135 (E_RNA) where: Base-Base interactions energy: -635.218 where: short stacking energy: -390.799 Base-Backbone interact. energy: 0.245 local terms energy: -525.149026 where: bonds (distance) C4'-P energy: -120.642 bonds (distance) P-C4' energy: -146.907 flat angles C4'-P-C4' energy: -122.118 flat angles P-C4'-P energy: -83.737 tors. eta vs tors. theta energy: -51.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1036.319650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.319650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.319650 (E_RNA) where: Base-Base interactions energy: -546.489 where: short stacking energy: -320.396 Base-Backbone interact. energy: 8.847 local terms energy: -498.677250 where: bonds (distance) C4'-P energy: -131.813 bonds (distance) P-C4' energy: -139.062 flat angles C4'-P-C4' energy: -116.396 flat angles P-C4'-P energy: -65.159 tors. eta vs tors. theta energy: -46.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -870.409539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.409539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.409539 (E_RNA) where: Base-Base interactions energy: -449.870 where: short stacking energy: -262.230 Base-Backbone interact. energy: -0.791 local terms energy: -419.748994 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -122.338 flat angles C4'-P-C4' energy: -115.805 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: 16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1963.197873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.197873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.197873 (E_RNA) where: Base-Base interactions energy: -1172.526 where: short stacking energy: -680.761 Base-Backbone interact. energy: 0.124 local terms energy: -790.796346 where: bonds (distance) C4'-P energy: -161.994 bonds (distance) P-C4' energy: -165.288 flat angles C4'-P-C4' energy: -182.963 flat angles P-C4'-P energy: -118.463 tors. eta vs tors. theta energy: -162.088 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: 2, replica: 7 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1991.400802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.400802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.400802 (E_RNA) where: Base-Base interactions energy: -1241.098 where: short stacking energy: -652.845 Base-Backbone interact. energy: -5.486 local terms energy: -744.817184 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -168.994 flat angles C4'-P-C4' energy: -167.248 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -161.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1631.589619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.589619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.589619 (E_RNA) where: Base-Base interactions energy: -910.980 where: short stacking energy: -648.975 Base-Backbone interact. energy: -1.287 local terms energy: -719.322425 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -152.740 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -120.075 tors. eta vs tors. theta energy: -146.209 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: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1547.340490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.340490 (E_RNA) where: Base-Base interactions energy: -892.822 where: short stacking energy: -511.733 Base-Backbone interact. energy: -3.067 local terms energy: -651.451787 where: bonds (distance) C4'-P energy: -154.917 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -123.928 tors. eta vs tors. theta energy: -82.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1516.632335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.632335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.632335 (E_RNA) where: Base-Base interactions energy: -879.453 where: short stacking energy: -521.747 Base-Backbone interact. energy: -2.077 local terms energy: -635.101924 where: bonds (distance) C4'-P energy: -145.666 bonds (distance) P-C4' energy: -134.615 flat angles C4'-P-C4' energy: -143.091 flat angles P-C4'-P energy: -95.622 tors. eta vs tors. theta energy: -116.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1298.435726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.435726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.435726 (E_RNA) where: Base-Base interactions energy: -703.863 where: short stacking energy: -439.729 Base-Backbone interact. energy: 2.755 local terms energy: -597.328453 where: bonds (distance) C4'-P energy: -125.848 bonds (distance) P-C4' energy: -151.513 flat angles C4'-P-C4' energy: -151.828 flat angles P-C4'-P energy: -93.926 tors. eta vs tors. theta energy: -74.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1232.466749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.466749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.466749 (E_RNA) where: Base-Base interactions energy: -698.679 where: short stacking energy: -388.613 Base-Backbone interact. energy: -0.850 local terms energy: -532.937803 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -138.387 flat angles C4'-P-C4' energy: -116.535 flat angles P-C4'-P energy: -104.213 tors. eta vs tors. theta energy: -59.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1091.877299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.877299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.877299 (E_RNA) where: Base-Base interactions energy: -582.800 where: short stacking energy: -337.238 Base-Backbone interact. energy: -3.132 local terms energy: -505.945758 where: bonds (distance) C4'-P energy: -117.992 bonds (distance) P-C4' energy: -142.127 flat angles C4'-P-C4' energy: -138.970 flat angles P-C4'-P energy: -78.753 tors. eta vs tors. theta energy: -28.103 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1044.392033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.392033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.392033 (E_RNA) where: Base-Base interactions energy: -556.888 where: short stacking energy: -328.174 Base-Backbone interact. energy: -2.262 local terms energy: -485.242734 where: bonds (distance) C4'-P energy: -130.687 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -117.244 flat angles P-C4'-P energy: -74.025 tors. eta vs tors. theta energy: -44.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -846.753597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.753597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.753597 (E_RNA) where: Base-Base interactions energy: -435.604 where: short stacking energy: -275.425 Base-Backbone interact. energy: 2.774 local terms energy: -413.923474 where: bonds (distance) C4'-P energy: -121.079 bonds (distance) P-C4' energy: -123.072 flat angles C4'-P-C4' energy: -95.567 flat angles P-C4'-P energy: -73.460 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: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2188.776828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.776828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.776828 (E_RNA) where: Base-Base interactions energy: -1412.648 where: short stacking energy: -739.785 Base-Backbone interact. energy: -3.715 local terms energy: -772.414343 where: bonds (distance) C4'-P energy: -150.036 bonds (distance) P-C4' energy: -168.301 flat angles C4'-P-C4' energy: -178.104 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -171.576 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: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1908.392503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.392503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.392503 (E_RNA) where: Base-Base interactions energy: -1135.697 where: short stacking energy: -667.152 Base-Backbone interact. energy: -2.979 local terms energy: -769.716666 where: bonds (distance) C4'-P energy: -154.103 bonds (distance) P-C4' energy: -162.223 flat angles C4'-P-C4' energy: -171.810 flat angles P-C4'-P energy: -113.469 tors. eta vs tors. theta energy: -168.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1480.426509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.426509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.426509 (E_RNA) where: Base-Base interactions energy: -828.254 where: short stacking energy: -552.486 Base-Backbone interact. energy: 0.106 local terms energy: -652.277889 where: bonds (distance) C4'-P energy: -129.319 bonds (distance) P-C4' energy: -171.776 flat angles C4'-P-C4' energy: -140.501 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -105.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1580.614344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.614344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.614344 (E_RNA) where: Base-Base interactions energy: -894.542 where: short stacking energy: -535.865 Base-Backbone interact. energy: 0.334 local terms energy: -686.406466 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -167.835 flat angles C4'-P-C4' energy: -166.798 flat angles P-C4'-P energy: -97.431 tors. eta vs tors. theta energy: -110.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1562.072678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.072678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.072678 (E_RNA) where: Base-Base interactions energy: -949.828 where: short stacking energy: -530.398 Base-Backbone interact. energy: -0.703 local terms energy: -611.541449 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -147.389 flat angles C4'-P-C4' energy: -139.411 flat angles P-C4'-P energy: -87.342 tors. eta vs tors. theta energy: -106.094 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: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1347.961116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.961116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.961116 (E_RNA) where: Base-Base interactions energy: -783.308 where: short stacking energy: -473.647 Base-Backbone interact. energy: 2.643 local terms energy: -567.296190 where: bonds (distance) C4'-P energy: -149.984 bonds (distance) P-C4' energy: -131.341 flat angles C4'-P-C4' energy: -143.493 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -64.203 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: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1296.713589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.713589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.713589 (E_RNA) where: Base-Base interactions energy: -723.314 where: short stacking energy: -412.499 Base-Backbone interact. energy: 1.606 local terms energy: -575.006076 where: bonds (distance) C4'-P energy: -139.906 bonds (distance) P-C4' energy: -132.022 flat angles C4'-P-C4' energy: -157.524 flat angles P-C4'-P energy: -79.879 tors. eta vs tors. theta energy: -65.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1150.336459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.336459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.336459 (E_RNA) where: Base-Base interactions energy: -651.072 where: short stacking energy: -391.228 Base-Backbone interact. energy: -1.603 local terms energy: -497.661564 where: bonds (distance) C4'-P energy: -111.093 bonds (distance) P-C4' energy: -147.304 flat angles C4'-P-C4' energy: -119.211 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -44.211 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -989.998502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.998502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.998502 (E_RNA) where: Base-Base interactions energy: -528.908 where: short stacking energy: -301.669 Base-Backbone interact. energy: 2.536 local terms energy: -463.626912 where: bonds (distance) C4'-P energy: -137.844 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -118.860 flat angles P-C4'-P energy: -73.426 tors. eta vs tors. theta energy: -12.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -745.059615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.059615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.059615 (E_RNA) where: Base-Base interactions energy: -363.580 where: short stacking energy: -233.717 Base-Backbone interact. energy: -2.627 local terms energy: -378.852919 where: bonds (distance) C4'-P energy: -114.122 bonds (distance) P-C4' energy: -111.609 flat angles C4'-P-C4' energy: -111.016 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: 27.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2202.557589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.557589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.557589 (E_RNA) where: Base-Base interactions energy: -1414.432 where: short stacking energy: -710.754 Base-Backbone interact. energy: -4.989 local terms energy: -783.136987 where: bonds (distance) C4'-P energy: -159.934 bonds (distance) P-C4' energy: -166.238 flat angles C4'-P-C4' energy: -171.984 flat angles P-C4'-P energy: -123.373 tors. eta vs tors. theta energy: -161.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1900.395714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.395714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.395714 (E_RNA) where: Base-Base interactions energy: -1146.186 where: short stacking energy: -654.418 Base-Backbone interact. energy: -4.468 local terms energy: -749.741622 where: bonds (distance) C4'-P energy: -157.041 bonds (distance) P-C4' energy: -161.544 flat angles C4'-P-C4' energy: -168.888 flat angles P-C4'-P energy: -113.969 tors. eta vs tors. theta energy: -148.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1572.215432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.215432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.215432 (E_RNA) where: Base-Base interactions energy: -880.321 where: short stacking energy: -585.330 Base-Backbone interact. energy: 5.685 local terms energy: -697.579974 where: bonds (distance) C4'-P energy: -147.579 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -166.558 flat angles P-C4'-P energy: -100.663 tors. eta vs tors. theta energy: -124.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1608.719931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.719931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.719931 (E_RNA) where: Base-Base interactions energy: -957.243 where: short stacking energy: -567.825 Base-Backbone interact. energy: 0.385 local terms energy: -651.862661 where: bonds (distance) C4'-P energy: -133.466 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -163.589 flat angles P-C4'-P energy: -89.517 tors. eta vs tors. theta energy: -125.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1560.678715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.678715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.678715 (E_RNA) where: Base-Base interactions energy: -946.558 where: short stacking energy: -510.130 Base-Backbone interact. energy: 1.616 local terms energy: -615.735969 where: bonds (distance) C4'-P energy: -139.508 bonds (distance) P-C4' energy: -143.677 flat angles C4'-P-C4' energy: -149.834 flat angles P-C4'-P energy: -88.195 tors. eta vs tors. theta energy: -94.522 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: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1426.430696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.430696 (E_RNA) where: Base-Base interactions energy: -819.286 where: short stacking energy: -442.804 Base-Backbone interact. energy: -3.950 local terms energy: -603.195379 where: bonds (distance) C4'-P energy: -122.795 bonds (distance) P-C4' energy: -148.609 flat angles C4'-P-C4' energy: -158.657 flat angles P-C4'-P energy: -89.527 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: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1276.184937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.184937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.184937 (E_RNA) where: Base-Base interactions energy: -736.810 where: short stacking energy: -405.007 Base-Backbone interact. energy: -2.936 local terms energy: -536.439349 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -152.873 flat angles C4'-P-C4' energy: -140.418 flat angles P-C4'-P energy: -82.952 tors. eta vs tors. theta energy: -48.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1142.433118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.433118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.433118 (E_RNA) where: Base-Base interactions energy: -643.342 where: short stacking energy: -357.272 Base-Backbone interact. energy: 3.359 local terms energy: -502.450365 where: bonds (distance) C4'-P energy: -118.153 bonds (distance) P-C4' energy: -156.207 flat angles C4'-P-C4' energy: -120.187 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: -50.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -941.251832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.251832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.251832 (E_RNA) where: Base-Base interactions energy: -473.814 where: short stacking energy: -325.702 Base-Backbone interact. energy: -0.571 local terms energy: -466.867459 where: bonds (distance) C4'-P energy: -138.161 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -127.338 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -28.542 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -725.113163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.113163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.113163 (E_RNA) where: Base-Base interactions energy: -313.038 where: short stacking energy: -229.049 Base-Backbone interact. energy: 2.989 local terms energy: -415.063771 where: bonds (distance) C4'-P energy: -120.819 bonds (distance) P-C4' energy: -124.658 flat angles C4'-P-C4' energy: -116.249 flat angles P-C4'-P energy: -68.565 tors. eta vs tors. theta energy: 15.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2269.582579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.582579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.582579 (E_RNA) where: Base-Base interactions energy: -1480.317 where: short stacking energy: -743.523 Base-Backbone interact. energy: -3.327 local terms energy: -785.939130 where: bonds (distance) C4'-P energy: -152.492 bonds (distance) P-C4' energy: -170.382 flat angles C4'-P-C4' energy: -176.839 flat angles P-C4'-P energy: -117.917 tors. eta vs tors. theta energy: -168.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1914.435095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.435095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.435095 (E_RNA) where: Base-Base interactions energy: -1163.845 where: short stacking energy: -644.977 Base-Backbone interact. energy: -3.189 local terms energy: -747.401341 where: bonds (distance) C4'-P energy: -171.759 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -154.123 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -161.810 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: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1715.322403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.322403 (E_RNA) where: Base-Base interactions energy: -1031.698 where: short stacking energy: -590.758 Base-Backbone interact. energy: 1.610 local terms energy: -685.234172 where: bonds (distance) C4'-P energy: -154.424 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -118.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1577.813198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.813198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.813198 (E_RNA) where: Base-Base interactions energy: -886.218 where: short stacking energy: -504.017 Base-Backbone interact. energy: 2.085 local terms energy: -693.680275 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -168.284 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -101.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1658.105631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.105631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.105631 (E_RNA) where: Base-Base interactions energy: -1024.305 where: short stacking energy: -532.598 Base-Backbone interact. energy: -2.290 local terms energy: -631.510298 where: bonds (distance) C4'-P energy: -135.277 bonds (distance) P-C4' energy: -152.067 flat angles C4'-P-C4' energy: -156.125 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: -104.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1424.456622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.456622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.456622 (E_RNA) where: Base-Base interactions energy: -855.229 where: short stacking energy: -479.389 Base-Backbone interact. energy: -2.311 local terms energy: -566.916959 where: bonds (distance) C4'-P energy: -132.532 bonds (distance) P-C4' energy: -125.845 flat angles C4'-P-C4' energy: -140.961 flat angles P-C4'-P energy: -73.425 tors. eta vs tors. theta energy: -94.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1395.739622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.739622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.739622 (E_RNA) where: Base-Base interactions energy: -845.766 where: short stacking energy: -422.005 Base-Backbone interact. energy: -2.155 local terms energy: -547.818226 where: bonds (distance) C4'-P energy: -142.872 bonds (distance) P-C4' energy: -157.146 flat angles C4'-P-C4' energy: -143.347 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: -58.502 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: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1168.305046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.305046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.305046 (E_RNA) where: Base-Base interactions energy: -642.987 where: short stacking energy: -359.722 Base-Backbone interact. energy: 3.407 local terms energy: -528.725486 where: bonds (distance) C4'-P energy: -124.962 bonds (distance) P-C4' energy: -137.871 flat angles C4'-P-C4' energy: -125.040 flat angles P-C4'-P energy: -83.175 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: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1109.612269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.612269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.612269 (E_RNA) where: Base-Base interactions energy: -653.983 where: short stacking energy: -334.582 Base-Backbone interact. energy: -1.949 local terms energy: -453.680451 where: bonds (distance) C4'-P energy: -124.876 bonds (distance) P-C4' energy: -112.993 flat angles C4'-P-C4' energy: -113.319 flat angles P-C4'-P energy: -79.742 tors. eta vs tors. theta energy: -22.752 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: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -744.859744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.859744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.859744 (E_RNA) where: Base-Base interactions energy: -306.813 where: short stacking energy: -230.139 Base-Backbone interact. energy: 0.138 local terms energy: -438.184977 where: bonds (distance) C4'-P energy: -140.775 bonds (distance) P-C4' energy: -136.804 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: 9.737 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: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2294.914282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.914282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.914282 (E_RNA) where: Base-Base interactions energy: -1505.353 where: short stacking energy: -741.173 Base-Backbone interact. energy: -2.891 local terms energy: -786.670816 where: bonds (distance) C4'-P energy: -176.375 bonds (distance) P-C4' energy: -150.001 flat angles C4'-P-C4' energy: -166.255 flat angles P-C4'-P energy: -114.196 tors. eta vs tors. theta energy: -179.844 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1993.786703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.786703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.786703 (E_RNA) where: Base-Base interactions energy: -1223.242 where: short stacking energy: -685.456 Base-Backbone interact. energy: 0.846 local terms energy: -771.390501 where: bonds (distance) C4'-P energy: -175.509 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -158.485 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -164.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1760.752831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.752831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.752831 (E_RNA) where: Base-Base interactions energy: -1046.141 where: short stacking energy: -585.818 Base-Backbone interact. energy: -1.963 local terms energy: -712.648814 where: bonds (distance) C4'-P energy: -164.159 bonds (distance) P-C4' energy: -159.221 flat angles C4'-P-C4' energy: -150.328 flat angles P-C4'-P energy: -110.622 tors. eta vs tors. theta energy: -128.318 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: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1778.604315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.604315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.604315 (E_RNA) where: Base-Base interactions energy: -1124.930 where: short stacking energy: -574.801 Base-Backbone interact. energy: -2.319 local terms energy: -651.355165 where: bonds (distance) C4'-P energy: -142.622 bonds (distance) P-C4' energy: -146.078 flat angles C4'-P-C4' energy: -155.917 flat angles P-C4'-P energy: -86.541 tors. eta vs tors. theta energy: -120.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1554.867324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.867324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.867324 (E_RNA) where: Base-Base interactions energy: -931.460 where: short stacking energy: -536.159 Base-Backbone interact. energy: -1.459 local terms energy: -621.948452 where: bonds (distance) C4'-P energy: -132.383 bonds (distance) P-C4' energy: -156.511 flat angles C4'-P-C4' energy: -162.037 flat angles P-C4'-P energy: -66.099 tors. eta vs tors. theta energy: -104.919 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: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1498.194823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.194823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.194823 (E_RNA) where: Base-Base interactions energy: -894.373 where: short stacking energy: -486.014 Base-Backbone interact. energy: -2.608 local terms energy: -601.213741 where: bonds (distance) C4'-P energy: -141.987 bonds (distance) P-C4' energy: -160.310 flat angles C4'-P-C4' energy: -127.833 flat angles P-C4'-P energy: -91.250 tors. eta vs tors. theta energy: -79.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1407.542531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.542531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.542531 (E_RNA) where: Base-Base interactions energy: -844.872 where: short stacking energy: -473.437 Base-Backbone interact. energy: -2.017 local terms energy: -560.653547 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -124.893 flat angles C4'-P-C4' energy: -148.269 flat angles P-C4'-P energy: -88.997 tors. eta vs tors. theta energy: -78.956 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: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1303.204892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.204892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.204892 (E_RNA) where: Base-Base interactions energy: -775.984 where: short stacking energy: -399.911 Base-Backbone interact. energy: 4.957 local terms energy: -532.177656 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -124.903 flat angles C4'-P-C4' energy: -118.460 flat angles P-C4'-P energy: -84.437 tors. eta vs tors. theta energy: -68.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1060.616332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.616332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.616332 (E_RNA) where: Base-Base interactions energy: -573.678 where: short stacking energy: -345.005 Base-Backbone interact. energy: 0.030 local terms energy: -486.968585 where: bonds (distance) C4'-P energy: -131.926 bonds (distance) P-C4' energy: -131.308 flat angles C4'-P-C4' energy: -112.114 flat angles P-C4'-P energy: -79.072 tors. eta vs tors. theta energy: -32.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -797.887635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.887635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.887635 (E_RNA) where: Base-Base interactions energy: -382.324 where: short stacking energy: -229.223 Base-Backbone interact. energy: 1.176 local terms energy: -416.739544 where: bonds (distance) C4'-P energy: -120.648 bonds (distance) P-C4' energy: -134.736 flat angles C4'-P-C4' energy: -115.288 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: 7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2346.907255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.907255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.907255 (E_RNA) where: Base-Base interactions energy: -1522.389 where: short stacking energy: -754.487 Base-Backbone interact. energy: -3.760 local terms energy: -820.758064 where: bonds (distance) C4'-P energy: -169.057 bonds (distance) P-C4' energy: -167.808 flat angles C4'-P-C4' energy: -170.218 flat angles P-C4'-P energy: -121.467 tors. eta vs tors. theta energy: -192.207 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: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1998.953536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.953536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.953536 (E_RNA) where: Base-Base interactions energy: -1246.282 where: short stacking energy: -657.953 Base-Backbone interact. energy: -4.272 local terms energy: -748.400306 where: bonds (distance) C4'-P energy: -145.732 bonds (distance) P-C4' energy: -163.829 flat angles C4'-P-C4' energy: -178.968 flat angles P-C4'-P energy: -93.040 tors. eta vs tors. theta energy: -166.831 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: 18 Temperature: 1.000000 Total energy: -1770.341755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.341755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.341755 (E_RNA) where: Base-Base interactions energy: -1091.337 where: short stacking energy: -551.664 Base-Backbone interact. energy: -0.411 local terms energy: -678.593876 where: bonds (distance) C4'-P energy: -149.751 bonds (distance) P-C4' energy: -167.561 flat angles C4'-P-C4' energy: -161.633 flat angles P-C4'-P energy: -98.972 tors. eta vs tors. theta energy: -100.677 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: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1870.022084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.022084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.022084 (E_RNA) where: Base-Base interactions energy: -1171.281 where: short stacking energy: -630.690 Base-Backbone interact. energy: 1.569 local terms energy: -700.309415 where: bonds (distance) C4'-P energy: -157.450 bonds (distance) P-C4' energy: -150.934 flat angles C4'-P-C4' energy: -153.163 flat angles P-C4'-P energy: -91.109 tors. eta vs tors. theta energy: -147.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1541.610665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.610665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.610665 (E_RNA) where: Base-Base interactions energy: -909.165 where: short stacking energy: -507.077 Base-Backbone interact. energy: -1.084 local terms energy: -631.361893 where: bonds (distance) C4'-P energy: -134.539 bonds (distance) P-C4' energy: -157.356 flat angles C4'-P-C4' energy: -141.369 flat angles P-C4'-P energy: -108.159 tors. eta vs tors. theta energy: -89.938 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: 6, replica: 9 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1595.077093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.077093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.077093 (E_RNA) where: Base-Base interactions energy: -1007.602 where: short stacking energy: -544.896 Base-Backbone interact. energy: 3.834 local terms energy: -591.309319 where: bonds (distance) C4'-P energy: -136.667 bonds (distance) P-C4' energy: -146.173 flat angles C4'-P-C4' energy: -122.081 flat angles P-C4'-P energy: -89.005 tors. eta vs tors. theta energy: -97.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1405.822205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.822205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.822205 (E_RNA) where: Base-Base interactions energy: -828.750 where: short stacking energy: -439.450 Base-Backbone interact. energy: 2.518 local terms energy: -579.590947 where: bonds (distance) C4'-P energy: -126.533 bonds (distance) P-C4' energy: -147.284 flat angles C4'-P-C4' energy: -141.927 flat angles P-C4'-P energy: -91.045 tors. eta vs tors. theta energy: -72.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1311.007808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.007808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.007808 (E_RNA) where: Base-Base interactions energy: -811.890 where: short stacking energy: -405.881 Base-Backbone interact. energy: 4.479 local terms energy: -503.596547 where: bonds (distance) C4'-P energy: -134.061 bonds (distance) P-C4' energy: -127.011 flat angles C4'-P-C4' energy: -112.460 flat angles P-C4'-P energy: -70.013 tors. eta vs tors. theta energy: -60.052 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: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1052.065298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.065298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.065298 (E_RNA) where: Base-Base interactions energy: -566.812 where: short stacking energy: -319.583 Base-Backbone interact. energy: 1.320 local terms energy: -486.572571 where: bonds (distance) C4'-P energy: -118.315 bonds (distance) P-C4' energy: -134.839 flat angles C4'-P-C4' energy: -123.194 flat angles P-C4'-P energy: -82.151 tors. eta vs tors. theta energy: -28.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -897.013466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.013466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.013466 (E_RNA) where: Base-Base interactions energy: -485.093 where: short stacking energy: -286.805 Base-Backbone interact. energy: -3.309 local terms energy: -408.611520 where: bonds (distance) C4'-P energy: -132.765 bonds (distance) P-C4' energy: -121.561 flat angles C4'-P-C4' energy: -99.679 flat angles P-C4'-P energy: -39.808 tors. eta vs tors. theta energy: -14.798 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2299.254087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.254087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.254087 (E_RNA) where: Base-Base interactions energy: -1529.219 where: short stacking energy: -733.264 Base-Backbone interact. energy: -4.418 local terms energy: -765.617039 where: bonds (distance) C4'-P energy: -140.374 bonds (distance) P-C4' energy: -154.927 flat angles C4'-P-C4' energy: -173.214 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -182.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1992.262848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.262848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.262848 (E_RNA) where: Base-Base interactions energy: -1278.421 where: short stacking energy: -657.239 Base-Backbone interact. energy: -3.350 local terms energy: -710.491904 where: bonds (distance) C4'-P energy: -128.268 bonds (distance) P-C4' energy: -152.555 flat angles C4'-P-C4' energy: -180.251 flat angles P-C4'-P energy: -106.324 tors. eta vs tors. theta energy: -143.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1837.106860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.106860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.106860 (E_RNA) where: Base-Base interactions energy: -1145.006 where: short stacking energy: -594.150 Base-Backbone interact. energy: -1.375 local terms energy: -690.726244 where: bonds (distance) C4'-P energy: -145.967 bonds (distance) P-C4' energy: -150.240 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -91.409 tors. eta vs tors. theta energy: -143.546 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: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1772.488066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.488066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.488066 (E_RNA) where: Base-Base interactions energy: -1099.777 where: short stacking energy: -580.641 Base-Backbone interact. energy: 0.827 local terms energy: -673.537688 where: bonds (distance) C4'-P energy: -142.768 bonds (distance) P-C4' energy: -138.162 flat angles C4'-P-C4' energy: -161.821 flat angles P-C4'-P energy: -96.016 tors. eta vs tors. theta energy: -134.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1473.749387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.749387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.749387 (E_RNA) where: Base-Base interactions energy: -885.232 where: short stacking energy: -482.146 Base-Backbone interact. energy: -0.447 local terms energy: -588.070187 where: bonds (distance) C4'-P energy: -122.424 bonds (distance) P-C4' energy: -138.694 flat angles C4'-P-C4' energy: -167.356 flat angles P-C4'-P energy: -86.566 tors. eta vs tors. theta energy: -73.029 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: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1662.959299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.959299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.959299 (E_RNA) where: Base-Base interactions energy: -1051.022 where: short stacking energy: -520.020 Base-Backbone interact. energy: 0.048 local terms energy: -611.984997 where: bonds (distance) C4'-P energy: -128.014 bonds (distance) P-C4' energy: -150.723 flat angles C4'-P-C4' energy: -156.608 flat angles P-C4'-P energy: -90.546 tors. eta vs tors. theta energy: -86.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1466.370494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.370494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.370494 (E_RNA) where: Base-Base interactions energy: -905.861 where: short stacking energy: -464.346 Base-Backbone interact. energy: 2.478 local terms energy: -562.987685 where: bonds (distance) C4'-P energy: -126.684 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -142.785 flat angles P-C4'-P energy: -86.889 tors. eta vs tors. theta energy: -65.547 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: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1295.827584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.827584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.827584 (E_RNA) where: Base-Base interactions energy: -775.885 where: short stacking energy: -384.456 Base-Backbone interact. energy: 5.361 local terms energy: -525.304168 where: bonds (distance) C4'-P energy: -137.964 bonds (distance) P-C4' energy: -154.594 flat angles C4'-P-C4' energy: -124.493 flat angles P-C4'-P energy: -49.018 tors. eta vs tors. theta energy: -59.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1118.121119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.121119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.121119 (E_RNA) where: Base-Base interactions energy: -638.999 where: short stacking energy: -396.047 Base-Backbone interact. energy: 1.815 local terms energy: -480.937266 where: bonds (distance) C4'-P energy: -125.739 bonds (distance) P-C4' energy: -121.732 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -53.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1009.720649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.720649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.720649 (E_RNA) where: Base-Base interactions energy: -570.392 where: short stacking energy: -308.959 Base-Backbone interact. energy: -3.730 local terms energy: -435.597999 where: bonds (distance) C4'-P energy: -119.335 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -121.648 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2394.660753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.660753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.660753 (E_RNA) where: Base-Base interactions energy: -1557.907 where: short stacking energy: -753.641 Base-Backbone interact. energy: -4.972 local terms energy: -831.781114 where: bonds (distance) C4'-P energy: -157.999 bonds (distance) P-C4' energy: -174.870 flat angles C4'-P-C4' energy: -182.568 flat angles P-C4'-P energy: -130.196 tors. eta vs tors. theta energy: -186.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2030.337954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.337954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.337954 (E_RNA) where: Base-Base interactions energy: -1294.863 where: short stacking energy: -647.516 Base-Backbone interact. energy: -5.049 local terms energy: -730.426387 where: bonds (distance) C4'-P energy: -149.173 bonds (distance) P-C4' energy: -155.604 flat angles C4'-P-C4' energy: -169.093 flat angles P-C4'-P energy: -118.378 tors. eta vs tors. theta energy: -138.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1842.020527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.020527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.020527 (E_RNA) where: Base-Base interactions energy: -1135.902 where: short stacking energy: -634.505 Base-Backbone interact. energy: 0.096 local terms energy: -706.214084 where: bonds (distance) C4'-P energy: -155.284 bonds (distance) P-C4' energy: -173.553 flat angles C4'-P-C4' energy: -160.116 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -136.268 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: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1809.355481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.355481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.355481 (E_RNA) where: Base-Base interactions energy: -1125.632 where: short stacking energy: -582.779 Base-Backbone interact. energy: -1.156 local terms energy: -682.566823 where: bonds (distance) C4'-P energy: -147.832 bonds (distance) P-C4' energy: -158.813 flat angles C4'-P-C4' energy: -154.017 flat angles P-C4'-P energy: -83.718 tors. eta vs tors. theta energy: -138.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1767.926314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.926314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.926314 (E_RNA) where: Base-Base interactions energy: -1133.130 where: short stacking energy: -530.637 Base-Backbone interact. energy: 3.671 local terms energy: -638.467389 where: bonds (distance) C4'-P energy: -146.607 bonds (distance) P-C4' energy: -157.739 flat angles C4'-P-C4' energy: -128.510 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -106.579 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: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1429.301498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.301498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.301498 (E_RNA) where: Base-Base interactions energy: -864.929 where: short stacking energy: -449.565 Base-Backbone interact. energy: 0.733 local terms energy: -565.105110 where: bonds (distance) C4'-P energy: -141.068 bonds (distance) P-C4' energy: -127.448 flat angles C4'-P-C4' energy: -137.255 flat angles P-C4'-P energy: -89.749 tors. eta vs tors. theta energy: -69.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1485.088610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.088610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.088610 (E_RNA) where: Base-Base interactions energy: -907.007 where: short stacking energy: -471.548 Base-Backbone interact. energy: 2.928 local terms energy: -581.009795 where: bonds (distance) C4'-P energy: -128.898 bonds (distance) P-C4' energy: -140.086 flat angles C4'-P-C4' energy: -129.336 flat angles P-C4'-P energy: -95.814 tors. eta vs tors. theta energy: -86.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1346.533918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.533918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.533918 (E_RNA) where: Base-Base interactions energy: -817.517 where: short stacking energy: -431.718 Base-Backbone interact. energy: -3.195 local terms energy: -525.821241 where: bonds (distance) C4'-P energy: -116.756 bonds (distance) P-C4' energy: -139.431 flat angles C4'-P-C4' energy: -135.083 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -69.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1095.893413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.893413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.893413 (E_RNA) where: Base-Base interactions energy: -609.388 where: short stacking energy: -319.857 Base-Backbone interact. energy: 1.942 local terms energy: -488.447506 where: bonds (distance) C4'-P energy: -121.701 bonds (distance) P-C4' energy: -134.546 flat angles C4'-P-C4' energy: -129.649 flat angles P-C4'-P energy: -79.391 tors. eta vs tors. theta energy: -23.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -993.030697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.030697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.030697 (E_RNA) where: Base-Base interactions energy: -528.017 where: short stacking energy: -318.572 Base-Backbone interact. energy: 5.559 local terms energy: -470.572815 where: bonds (distance) C4'-P energy: -132.400 bonds (distance) P-C4' energy: -132.568 flat angles C4'-P-C4' energy: -124.767 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -10.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2375.693777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.693777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.693777 (E_RNA) where: Base-Base interactions energy: -1564.240 where: short stacking energy: -748.013 Base-Backbone interact. energy: -1.532 local terms energy: -809.922037 where: bonds (distance) C4'-P energy: -162.744 bonds (distance) P-C4' energy: -147.298 flat angles C4'-P-C4' energy: -189.284 flat angles P-C4'-P energy: -115.591 tors. eta vs tors. theta energy: -195.005 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: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2102.645099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.645099 (E_RNA) where: Base-Base interactions energy: -1355.989 where: short stacking energy: -730.150 Base-Backbone interact. energy: -1.993 local terms energy: -744.662868 where: bonds (distance) C4'-P energy: -161.332 bonds (distance) P-C4' energy: -159.183 flat angles C4'-P-C4' energy: -168.022 flat angles P-C4'-P energy: -97.239 tors. eta vs tors. theta energy: -158.887 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: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1886.911503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.911503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.911503 (E_RNA) where: Base-Base interactions energy: -1148.000 where: short stacking energy: -571.931 Base-Backbone interact. energy: -2.995 local terms energy: -735.916673 where: bonds (distance) C4'-P energy: -170.274 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -161.543 flat angles P-C4'-P energy: -101.548 tors. eta vs tors. theta energy: -137.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1938.101008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.101008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.101008 (E_RNA) where: Base-Base interactions energy: -1298.758 where: short stacking energy: -610.728 Base-Backbone interact. energy: -0.532 local terms energy: -638.810455 where: bonds (distance) C4'-P energy: -143.929 bonds (distance) P-C4' energy: -149.584 flat angles C4'-P-C4' energy: -137.617 flat angles P-C4'-P energy: -85.171 tors. eta vs tors. theta energy: -122.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1821.252298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.252298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.252298 (E_RNA) where: Base-Base interactions energy: -1168.498 where: short stacking energy: -545.988 Base-Backbone interact. energy: -1.095 local terms energy: -651.659391 where: bonds (distance) C4'-P energy: -148.764 bonds (distance) P-C4' energy: -144.171 flat angles C4'-P-C4' energy: -145.779 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -130.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1581.665938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.665938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.665938 (E_RNA) where: Base-Base interactions energy: -1002.730 where: short stacking energy: -487.003 Base-Backbone interact. energy: -2.297 local terms energy: -576.638837 where: bonds (distance) C4'-P energy: -125.635 bonds (distance) P-C4' energy: -148.786 flat angles C4'-P-C4' energy: -136.121 flat angles P-C4'-P energy: -82.513 tors. eta vs tors. theta energy: -83.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1304.641907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.641907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.641907 (E_RNA) where: Base-Base interactions energy: -779.719 where: short stacking energy: -409.911 Base-Backbone interact. energy: 2.285 local terms energy: -527.207773 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -135.525 flat angles C4'-P-C4' energy: -138.126 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -42.541 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: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1336.305949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.305949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.305949 (E_RNA) where: Base-Base interactions energy: -827.316 where: short stacking energy: -443.051 Base-Backbone interact. energy: -4.142 local terms energy: -504.848055 where: bonds (distance) C4'-P energy: -111.229 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -129.471 flat angles P-C4'-P energy: -68.393 tors. eta vs tors. theta energy: -80.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1143.875455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.875455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.875455 (E_RNA) where: Base-Base interactions energy: -671.571 where: short stacking energy: -393.278 Base-Backbone interact. energy: -1.048 local terms energy: -471.256552 where: bonds (distance) C4'-P energy: -124.512 bonds (distance) P-C4' energy: -134.476 flat angles C4'-P-C4' energy: -121.610 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -26.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1048.304957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.304957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.304957 (E_RNA) where: Base-Base interactions energy: -578.308 where: short stacking energy: -291.185 Base-Backbone interact. energy: -2.240 local terms energy: -467.756425 where: bonds (distance) C4'-P energy: -128.153 bonds (distance) P-C4' energy: -121.990 flat angles C4'-P-C4' energy: -102.634 flat angles P-C4'-P energy: -86.785 tors. eta vs tors. theta energy: -28.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2390.595444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.595444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.595444 (E_RNA) where: Base-Base interactions energy: -1580.423 where: short stacking energy: -776.317 Base-Backbone interact. energy: -4.853 local terms energy: -805.320142 where: bonds (distance) C4'-P energy: -154.176 bonds (distance) P-C4' energy: -166.383 flat angles C4'-P-C4' energy: -179.182 flat angles P-C4'-P energy: -117.723 tors. eta vs tors. theta energy: -187.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2063.063358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.063358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.063358 (E_RNA) where: Base-Base interactions energy: -1313.486 where: short stacking energy: -698.613 Base-Backbone interact. energy: -5.411 local terms energy: -744.166588 where: bonds (distance) C4'-P energy: -156.637 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -180.454 flat angles P-C4'-P energy: -93.394 tors. eta vs tors. theta energy: -164.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2138.946256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.946256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.946256 (E_RNA) where: Base-Base interactions energy: -1373.160 where: short stacking energy: -659.276 Base-Backbone interact. energy: -0.681 local terms energy: -765.105327 where: bonds (distance) C4'-P energy: -155.779 bonds (distance) P-C4' energy: -164.816 flat angles C4'-P-C4' energy: -166.040 flat angles P-C4'-P energy: -108.229 tors. eta vs tors. theta energy: -170.241 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: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1837.107485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.107485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.107485 (E_RNA) where: Base-Base interactions energy: -1157.962 where: short stacking energy: -594.089 Base-Backbone interact. energy: -1.390 local terms energy: -677.755244 where: bonds (distance) C4'-P energy: -151.051 bonds (distance) P-C4' energy: -155.240 flat angles C4'-P-C4' energy: -153.194 flat angles P-C4'-P energy: -111.580 tors. eta vs tors. theta energy: -106.690 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: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1850.550541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.550541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.550541 (E_RNA) where: Base-Base interactions energy: -1193.753 where: short stacking energy: -546.046 Base-Backbone interact. energy: 2.050 local terms energy: -658.847398 where: bonds (distance) C4'-P energy: -142.884 bonds (distance) P-C4' energy: -144.325 flat angles C4'-P-C4' energy: -151.999 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -117.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1575.229621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.229621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.229621 (E_RNA) where: Base-Base interactions energy: -956.833 where: short stacking energy: -499.673 Base-Backbone interact. energy: 0.231 local terms energy: -618.627656 where: bonds (distance) C4'-P energy: -133.022 bonds (distance) P-C4' energy: -156.858 flat angles C4'-P-C4' energy: -133.150 flat angles P-C4'-P energy: -93.009 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: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1491.871109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.871109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.871109 (E_RNA) where: Base-Base interactions energy: -915.605 where: short stacking energy: -467.757 Base-Backbone interact. energy: -0.866 local terms energy: -575.399691 where: bonds (distance) C4'-P energy: -138.860 bonds (distance) P-C4' energy: -140.768 flat angles C4'-P-C4' energy: -128.575 flat angles P-C4'-P energy: -90.196 tors. eta vs tors. theta energy: -77.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1212.417607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.417607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.417607 (E_RNA) where: Base-Base interactions energy: -733.077 where: short stacking energy: -381.057 Base-Backbone interact. energy: -1.727 local terms energy: -477.612949 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -139.807 flat angles C4'-P-C4' energy: -134.397 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -26.853 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: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1165.193986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.193986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.193986 (E_RNA) where: Base-Base interactions energy: -683.243 where: short stacking energy: -338.623 Base-Backbone interact. energy: 0.919 local terms energy: -482.870385 where: bonds (distance) C4'-P energy: -136.877 bonds (distance) P-C4' energy: -124.264 flat angles C4'-P-C4' energy: -134.250 flat angles P-C4'-P energy: -58.307 tors. eta vs tors. theta energy: -29.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1048.387516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.387516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.387516 (E_RNA) where: Base-Base interactions energy: -634.698 where: short stacking energy: -327.208 Base-Backbone interact. energy: 0.910 local terms energy: -414.599976 where: bonds (distance) C4'-P energy: -126.752 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -106.317 flat angles P-C4'-P energy: -62.744 tors. eta vs tors. theta energy: -19.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2381.994836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.994836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.994836 (E_RNA) where: Base-Base interactions energy: -1576.455 where: short stacking energy: -733.300 Base-Backbone interact. energy: -2.937 local terms energy: -802.602372 where: bonds (distance) C4'-P energy: -160.392 bonds (distance) P-C4' energy: -159.800 flat angles C4'-P-C4' energy: -180.680 flat angles P-C4'-P energy: -119.342 tors. eta vs tors. theta energy: -182.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2222.061361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.061361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.061361 (E_RNA) where: Base-Base interactions energy: -1430.768 where: short stacking energy: -704.996 Base-Backbone interact. energy: -1.868 local terms energy: -789.425140 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -157.130 flat angles C4'-P-C4' energy: -174.064 flat angles P-C4'-P energy: -114.911 tors. eta vs tors. theta energy: -183.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1965.335146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.335146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.335146 (E_RNA) where: Base-Base interactions energy: -1250.462 where: short stacking energy: -639.421 Base-Backbone interact. energy: -0.580 local terms energy: -714.292425 where: bonds (distance) C4'-P energy: -137.102 bonds (distance) P-C4' energy: -157.000 flat angles C4'-P-C4' energy: -157.575 flat angles P-C4'-P energy: -108.480 tors. eta vs tors. theta energy: -154.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1955.352021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.352021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.352021 (E_RNA) where: Base-Base interactions energy: -1278.130 where: short stacking energy: -620.011 Base-Backbone interact. energy: -0.632 local terms energy: -676.590514 where: bonds (distance) C4'-P energy: -135.901 bonds (distance) P-C4' energy: -136.052 flat angles C4'-P-C4' energy: -157.096 flat angles P-C4'-P energy: -104.522 tors. eta vs tors. theta energy: -143.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1749.616158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.616158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.616158 (E_RNA) where: Base-Base interactions energy: -1099.445 where: short stacking energy: -505.503 Base-Backbone interact. energy: 0.889 local terms energy: -651.060251 where: bonds (distance) C4'-P energy: -153.294 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -146.657 flat angles P-C4'-P energy: -109.130 tors. eta vs tors. theta energy: -91.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1568.714585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.714585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.714585 (E_RNA) where: Base-Base interactions energy: -986.655 where: short stacking energy: -513.896 Base-Backbone interact. energy: 0.978 local terms energy: -583.038375 where: bonds (distance) C4'-P energy: -128.376 bonds (distance) P-C4' energy: -154.075 flat angles C4'-P-C4' energy: -127.783 flat angles P-C4'-P energy: -78.666 tors. eta vs tors. theta energy: -94.139 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: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1495.325731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.325731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.325731 (E_RNA) where: Base-Base interactions energy: -894.141 where: short stacking energy: -449.426 Base-Backbone interact. energy: -1.133 local terms energy: -600.051253 where: bonds (distance) C4'-P energy: -149.314 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -153.566 flat angles P-C4'-P energy: -70.726 tors. eta vs tors. theta energy: -90.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1249.095743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.095743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.095743 (E_RNA) where: Base-Base interactions energy: -738.424 where: short stacking energy: -427.327 Base-Backbone interact. energy: -0.413 local terms energy: -510.258362 where: bonds (distance) C4'-P energy: -119.153 bonds (distance) P-C4' energy: -141.693 flat angles C4'-P-C4' energy: -129.552 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -48.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1094.790494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.790494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.790494 (E_RNA) where: Base-Base interactions energy: -620.217 where: short stacking energy: -321.007 Base-Backbone interact. energy: -5.117 local terms energy: -469.456983 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -142.967 flat angles C4'-P-C4' energy: -119.731 flat angles P-C4'-P energy: -80.776 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1032.009974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.009974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.009974 (E_RNA) where: Base-Base interactions energy: -559.917 where: short stacking energy: -319.345 Base-Backbone interact. energy: -5.893 local terms energy: -466.200047 where: bonds (distance) C4'-P energy: -108.165 bonds (distance) P-C4' energy: -125.838 flat angles C4'-P-C4' energy: -126.775 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -23.450 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2384.911814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.911814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.911814 (E_RNA) where: Base-Base interactions energy: -1590.601 where: short stacking energy: -762.404 Base-Backbone interact. energy: -1.382 local terms energy: -792.928464 where: bonds (distance) C4'-P energy: -168.607 bonds (distance) P-C4' energy: -145.232 flat angles C4'-P-C4' energy: -178.785 flat angles P-C4'-P energy: -123.299 tors. eta vs tors. theta energy: -177.005 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: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2254.819052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.819052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.819052 (E_RNA) where: Base-Base interactions energy: -1482.375 where: short stacking energy: -715.125 Base-Backbone interact. energy: 2.184 local terms energy: -774.628246 where: bonds (distance) C4'-P energy: -150.586 bonds (distance) P-C4' energy: -164.942 flat angles C4'-P-C4' energy: -176.742 flat angles P-C4'-P energy: -102.336 tors. eta vs tors. theta energy: -180.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2087.884226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.884226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.884226 (E_RNA) where: Base-Base interactions energy: -1360.807 where: short stacking energy: -642.939 Base-Backbone interact. energy: -1.037 local terms energy: -726.039784 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -161.996 flat angles C4'-P-C4' energy: -171.810 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -148.125 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: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1917.620513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.620513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.620513 (E_RNA) where: Base-Base interactions energy: -1226.958 where: short stacking energy: -616.812 Base-Backbone interact. energy: -2.230 local terms energy: -688.432193 where: bonds (distance) C4'-P energy: -157.559 bonds (distance) P-C4' energy: -149.036 flat angles C4'-P-C4' energy: -146.187 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -140.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1915.824893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.824893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.824893 (E_RNA) where: Base-Base interactions energy: -1271.810 where: short stacking energy: -602.172 Base-Backbone interact. energy: -0.755 local terms energy: -643.259914 where: bonds (distance) C4'-P energy: -141.004 bonds (distance) P-C4' energy: -130.807 flat angles C4'-P-C4' energy: -155.888 flat angles P-C4'-P energy: -89.771 tors. eta vs tors. theta energy: -125.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1685.487669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.487669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.487669 (E_RNA) where: Base-Base interactions energy: -1084.148 where: short stacking energy: -524.372 Base-Backbone interact. energy: 4.813 local terms energy: -606.152141 where: bonds (distance) C4'-P energy: -117.973 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -144.028 flat angles P-C4'-P energy: -85.280 tors. eta vs tors. theta energy: -108.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1597.438702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.438702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.438702 (E_RNA) where: Base-Base interactions energy: -1013.576 where: short stacking energy: -494.056 Base-Backbone interact. energy: -1.333 local terms energy: -582.529602 where: bonds (distance) C4'-P energy: -145.872 bonds (distance) P-C4' energy: -131.970 flat angles C4'-P-C4' energy: -140.716 flat angles P-C4'-P energy: -79.310 tors. eta vs tors. theta energy: -84.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1307.753429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.753429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.753429 (E_RNA) where: Base-Base interactions energy: -765.003 where: short stacking energy: -392.195 Base-Backbone interact. energy: 0.962 local terms energy: -543.712150 where: bonds (distance) C4'-P energy: -144.934 bonds (distance) P-C4' energy: -144.231 flat angles C4'-P-C4' energy: -120.909 flat angles P-C4'-P energy: -89.801 tors. eta vs tors. theta energy: -43.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1080.938329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.938329 (E_RNA) where: Base-Base interactions energy: -586.143 where: short stacking energy: -305.770 Base-Backbone interact. energy: -3.094 local terms energy: -491.701479 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -134.414 flat angles C4'-P-C4' energy: -137.912 flat angles P-C4'-P energy: -78.351 tors. eta vs tors. theta energy: -35.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -945.833019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.833019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.833019 (E_RNA) where: Base-Base interactions energy: -497.016 where: short stacking energy: -319.226 Base-Backbone interact. energy: 4.689 local terms energy: -453.506544 where: bonds (distance) C4'-P energy: -112.439 bonds (distance) P-C4' energy: -148.967 flat angles C4'-P-C4' energy: -115.128 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: -17.443 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: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2432.467921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.467921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.467921 (E_RNA) where: Base-Base interactions energy: -1634.975 where: short stacking energy: -770.247 Base-Backbone interact. energy: -2.240 local terms energy: -795.252781 where: bonds (distance) C4'-P energy: -161.230 bonds (distance) P-C4' energy: -164.683 flat angles C4'-P-C4' energy: -172.126 flat angles P-C4'-P energy: -106.709 tors. eta vs tors. theta energy: -190.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2278.131989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.131989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.131989 (E_RNA) where: Base-Base interactions energy: -1513.459 where: short stacking energy: -721.307 Base-Backbone interact. energy: -2.363 local terms energy: -762.309965 where: bonds (distance) C4'-P energy: -144.315 bonds (distance) P-C4' energy: -159.591 flat angles C4'-P-C4' energy: -172.049 flat angles P-C4'-P energy: -115.874 tors. eta vs tors. theta energy: -170.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2152.740716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.740716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.740716 (E_RNA) where: Base-Base interactions energy: -1414.683 where: short stacking energy: -711.429 Base-Backbone interact. energy: -1.818 local terms energy: -736.239842 where: bonds (distance) C4'-P energy: -150.112 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -164.814 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -173.972 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2002.193009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.193009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.193009 (E_RNA) where: Base-Base interactions energy: -1341.022 where: short stacking energy: -609.685 Base-Backbone interact. energy: -2.199 local terms energy: -658.971973 where: bonds (distance) C4'-P energy: -144.216 bonds (distance) P-C4' energy: -147.635 flat angles C4'-P-C4' energy: -138.751 flat angles P-C4'-P energy: -97.043 tors. eta vs tors. theta energy: -131.326 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: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1755.947062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.947062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.947062 (E_RNA) where: Base-Base interactions energy: -1075.480 where: short stacking energy: -545.368 Base-Backbone interact. energy: -1.685 local terms energy: -678.781917 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -142.183 flat angles C4'-P-C4' energy: -163.429 flat angles P-C4'-P energy: -101.531 tors. eta vs tors. theta energy: -135.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1748.878941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.878941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.878941 (E_RNA) where: Base-Base interactions energy: -1109.332 where: short stacking energy: -555.174 Base-Backbone interact. energy: -1.628 local terms energy: -637.918659 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -137.099 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -94.470 tors. eta vs tors. theta energy: -109.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1650.342626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.342626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.342626 (E_RNA) where: Base-Base interactions energy: -1071.469 where: short stacking energy: -515.218 Base-Backbone interact. energy: -3.356 local terms energy: -575.518262 where: bonds (distance) C4'-P energy: -115.067 bonds (distance) P-C4' energy: -134.023 flat angles C4'-P-C4' energy: -146.270 flat angles P-C4'-P energy: -83.938 tors. eta vs tors. theta energy: -96.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1290.175232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.175232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.175232 (E_RNA) where: Base-Base interactions energy: -754.217 where: short stacking energy: -423.993 Base-Backbone interact. energy: 0.044 local terms energy: -536.002374 where: bonds (distance) C4'-P energy: -124.912 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -139.734 flat angles P-C4'-P energy: -76.289 tors. eta vs tors. theta energy: -75.017 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: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1104.761805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.761805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.761805 (E_RNA) where: Base-Base interactions energy: -602.222 where: short stacking energy: -330.300 Base-Backbone interact. energy: 1.552 local terms energy: -504.092230 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -136.364 flat angles C4'-P-C4' energy: -118.509 flat angles P-C4'-P energy: -80.982 tors. eta vs tors. theta energy: -44.642 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: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -995.345365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.345365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.345365 (E_RNA) where: Base-Base interactions energy: -552.296 where: short stacking energy: -285.473 Base-Backbone interact. energy: 0.822 local terms energy: -443.871156 where: bonds (distance) C4'-P energy: -123.548 bonds (distance) P-C4' energy: -142.199 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -70.210 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: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2448.811562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.811562 (E_RNA) where: Base-Base interactions energy: -1624.444 where: short stacking energy: -794.907 Base-Backbone interact. energy: -2.359 local terms energy: -822.008767 where: bonds (distance) C4'-P energy: -167.753 bonds (distance) P-C4' energy: -166.624 flat angles C4'-P-C4' energy: -168.948 flat angles P-C4'-P energy: -125.507 tors. eta vs tors. theta energy: -193.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2344.259467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.259467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.259467 (E_RNA) where: Base-Base interactions energy: -1576.740 where: short stacking energy: -709.261 Base-Backbone interact. energy: 1.674 local terms energy: -769.193695 where: bonds (distance) C4'-P energy: -160.992 bonds (distance) P-C4' energy: -161.108 flat angles C4'-P-C4' energy: -178.866 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -159.459 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: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2177.059678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.059678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.059678 (E_RNA) where: Base-Base interactions energy: -1445.346 where: short stacking energy: -695.790 Base-Backbone interact. energy: -1.496 local terms energy: -730.217395 where: bonds (distance) C4'-P energy: -154.158 bonds (distance) P-C4' energy: -151.721 flat angles C4'-P-C4' energy: -153.034 flat angles P-C4'-P energy: -100.592 tors. eta vs tors. theta energy: -170.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2064.079972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.079972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.079972 (E_RNA) where: Base-Base interactions energy: -1389.776 where: short stacking energy: -628.403 Base-Backbone interact. energy: 0.096 local terms energy: -674.399916 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -151.566 flat angles C4'-P-C4' energy: -150.768 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -140.741 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: 26 Temperature: 1.100000 Total energy: -1931.113117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.113117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.113117 (E_RNA) where: Base-Base interactions energy: -1272.810 where: short stacking energy: -622.654 Base-Backbone interact. energy: 0.716 local terms energy: -659.018986 where: bonds (distance) C4'-P energy: -129.479 bonds (distance) P-C4' energy: -152.500 flat angles C4'-P-C4' energy: -139.070 flat angles P-C4'-P energy: -97.559 tors. eta vs tors. theta energy: -140.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1604.486967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.486967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.486967 (E_RNA) where: Base-Base interactions energy: -991.481 where: short stacking energy: -514.530 Base-Backbone interact. energy: -1.031 local terms energy: -611.975374 where: bonds (distance) C4'-P energy: -141.558 bonds (distance) P-C4' energy: -147.151 flat angles C4'-P-C4' energy: -143.011 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -100.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1572.372081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.372081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.372081 (E_RNA) where: Base-Base interactions energy: -994.421 where: short stacking energy: -478.121 Base-Backbone interact. energy: 4.569 local terms energy: -582.519407 where: bonds (distance) C4'-P energy: -126.493 bonds (distance) P-C4' energy: -150.063 flat angles C4'-P-C4' energy: -132.372 flat angles P-C4'-P energy: -81.241 tors. eta vs tors. theta energy: -92.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1289.073802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.073802 (E_RNA) where: Base-Base interactions energy: -746.871 where: short stacking energy: -393.265 Base-Backbone interact. energy: 0.256 local terms energy: -542.458688 where: bonds (distance) C4'-P energy: -115.531 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -138.453 flat angles P-C4'-P energy: -101.637 tors. eta vs tors. theta energy: -44.900 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: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1147.435049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.435049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.435049 (E_RNA) where: Base-Base interactions energy: -644.498 where: short stacking energy: -317.261 Base-Backbone interact. energy: 0.451 local terms energy: -503.388320 where: bonds (distance) C4'-P energy: -128.761 bonds (distance) P-C4' energy: -139.683 flat angles C4'-P-C4' energy: -120.700 flat angles P-C4'-P energy: -83.608 tors. eta vs tors. theta energy: -30.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -989.538412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.538412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.538412 (E_RNA) where: Base-Base interactions energy: -572.369 where: short stacking energy: -308.609 Base-Backbone interact. energy: 2.439 local terms energy: -419.607666 where: bonds (distance) C4'-P energy: -138.161 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -108.501 flat angles P-C4'-P energy: -61.382 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2437.129639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.129639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.129639 (E_RNA) where: Base-Base interactions energy: -1626.919 where: short stacking energy: -798.642 Base-Backbone interact. energy: -2.440 local terms energy: -807.769914 where: bonds (distance) C4'-P energy: -158.530 bonds (distance) P-C4' energy: -163.145 flat angles C4'-P-C4' energy: -169.597 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -192.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2320.054043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.054043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.054043 (E_RNA) where: Base-Base interactions energy: -1532.418 where: short stacking energy: -707.969 Base-Backbone interact. energy: 0.707 local terms energy: -788.343519 where: bonds (distance) C4'-P energy: -166.929 bonds (distance) P-C4' energy: -165.146 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -116.203 tors. eta vs tors. theta energy: -169.297 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: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2204.995544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.995544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.995544 (E_RNA) where: Base-Base interactions energy: -1447.341 where: short stacking energy: -699.038 Base-Backbone interact. energy: -0.559 local terms energy: -757.095031 where: bonds (distance) C4'-P energy: -143.649 bonds (distance) P-C4' energy: -145.372 flat angles C4'-P-C4' energy: -167.221 flat angles P-C4'-P energy: -120.568 tors. eta vs tors. theta energy: -180.284 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: 27 Temperature: 1.050000 Total energy: -2103.474638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.474638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.474638 (E_RNA) where: Base-Base interactions energy: -1378.638 where: short stacking energy: -618.523 Base-Backbone interact. energy: -1.361 local terms energy: -723.475536 where: bonds (distance) C4'-P energy: -155.722 bonds (distance) P-C4' energy: -146.288 flat angles C4'-P-C4' energy: -160.246 flat angles P-C4'-P energy: -110.783 tors. eta vs tors. theta energy: -150.436 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: 27 Temperature: 1.100000 Total energy: -1987.908347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.908347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.908347 (E_RNA) where: Base-Base interactions energy: -1266.630 where: short stacking energy: -655.417 Base-Backbone interact. energy: -0.291 local terms energy: -720.987325 where: bonds (distance) C4'-P energy: -149.480 bonds (distance) P-C4' energy: -150.319 flat angles C4'-P-C4' energy: -171.443 flat angles P-C4'-P energy: -86.298 tors. eta vs tors. theta energy: -163.447 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: 27 Temperature: 1.150000 Total energy: -1596.485883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.485883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.485883 (E_RNA) where: Base-Base interactions energy: -967.636 where: short stacking energy: -492.914 Base-Backbone interact. energy: -0.325 local terms energy: -628.524869 where: bonds (distance) C4'-P energy: -152.736 bonds (distance) P-C4' energy: -131.582 flat angles C4'-P-C4' energy: -143.489 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -110.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1628.550138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.550138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.550138 (E_RNA) where: Base-Base interactions energy: -1034.082 where: short stacking energy: -496.715 Base-Backbone interact. energy: -2.753 local terms energy: -591.715955 where: bonds (distance) C4'-P energy: -129.022 bonds (distance) P-C4' energy: -141.759 flat angles C4'-P-C4' energy: -135.323 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -93.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1317.876777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.876777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.876777 (E_RNA) where: Base-Base interactions energy: -796.874 where: short stacking energy: -407.200 Base-Backbone interact. energy: -0.308 local terms energy: -520.694460 where: bonds (distance) C4'-P energy: -136.556 bonds (distance) P-C4' energy: -142.437 flat angles C4'-P-C4' energy: -125.013 flat angles P-C4'-P energy: -72.908 tors. eta vs tors. theta energy: -43.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1231.613961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.613961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.613961 (E_RNA) where: Base-Base interactions energy: -715.442 where: short stacking energy: -398.821 Base-Backbone interact. energy: 2.648 local terms energy: -518.819882 where: bonds (distance) C4'-P energy: -132.338 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -101.830 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: -69.560 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: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -924.004815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.004815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.004815 (E_RNA) where: Base-Base interactions energy: -486.495 where: short stacking energy: -269.814 Base-Backbone interact. energy: 3.317 local terms energy: -440.827182 where: bonds (distance) C4'-P energy: -124.142 bonds (distance) P-C4' energy: -131.542 flat angles C4'-P-C4' energy: -109.240 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -4.042 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2443.151601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.151601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.151601 (E_RNA) where: Base-Base interactions energy: -1646.049 where: short stacking energy: -799.991 Base-Backbone interact. energy: 0.913 local terms energy: -798.015085 where: bonds (distance) C4'-P energy: -143.725 bonds (distance) P-C4' energy: -158.475 flat angles C4'-P-C4' energy: -180.668 flat angles P-C4'-P energy: -109.076 tors. eta vs tors. theta energy: -206.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2326.782576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.782576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.782576 (E_RNA) where: Base-Base interactions energy: -1593.486 where: short stacking energy: -737.144 Base-Backbone interact. energy: -3.094 local terms energy: -730.202633 where: bonds (distance) C4'-P energy: -145.832 bonds (distance) P-C4' energy: -155.607 flat angles C4'-P-C4' energy: -164.445 flat angles P-C4'-P energy: -97.545 tors. eta vs tors. theta energy: -166.774 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: 28 Temperature: 1.000000 Total energy: -2250.652056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.652056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.652056 (E_RNA) where: Base-Base interactions energy: -1508.657 where: short stacking energy: -712.813 Base-Backbone interact. energy: -1.916 local terms energy: -740.078311 where: bonds (distance) C4'-P energy: -142.398 bonds (distance) P-C4' energy: -152.410 flat angles C4'-P-C4' energy: -158.008 flat angles P-C4'-P energy: -104.285 tors. eta vs tors. theta energy: -182.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2110.574775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.574775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.574775 (E_RNA) where: Base-Base interactions energy: -1463.781 where: short stacking energy: -649.351 Base-Backbone interact. energy: -5.292 local terms energy: -641.501568 where: bonds (distance) C4'-P energy: -138.553 bonds (distance) P-C4' energy: -136.173 flat angles C4'-P-C4' energy: -145.946 flat angles P-C4'-P energy: -83.596 tors. eta vs tors. theta energy: -137.234 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: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1978.964856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.964856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.964856 (E_RNA) where: Base-Base interactions energy: -1297.140 where: short stacking energy: -641.651 Base-Backbone interact. energy: -0.898 local terms energy: -680.927127 where: bonds (distance) C4'-P energy: -136.162 bonds (distance) P-C4' energy: -146.142 flat angles C4'-P-C4' energy: -147.544 flat angles P-C4'-P energy: -101.171 tors. eta vs tors. theta energy: -149.908 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: 28 Temperature: 1.150000 Total energy: -1576.956838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.956838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.956838 (E_RNA) where: Base-Base interactions energy: -934.596 where: short stacking energy: -504.262 Base-Backbone interact. energy: -1.053 local terms energy: -641.308306 where: bonds (distance) C4'-P energy: -138.119 bonds (distance) P-C4' energy: -147.416 flat angles C4'-P-C4' energy: -144.520 flat angles P-C4'-P energy: -99.041 tors. eta vs tors. theta energy: -112.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1556.888301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.888301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.888301 (E_RNA) where: Base-Base interactions energy: -958.956 where: short stacking energy: -487.179 Base-Backbone interact. energy: 0.230 local terms energy: -598.163144 where: bonds (distance) C4'-P energy: -138.674 bonds (distance) P-C4' energy: -156.064 flat angles C4'-P-C4' energy: -149.025 flat angles P-C4'-P energy: -81.524 tors. eta vs tors. theta energy: -72.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1345.993970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.993970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.993970 (E_RNA) where: Base-Base interactions energy: -812.596 where: short stacking energy: -425.927 Base-Backbone interact. energy: 1.474 local terms energy: -534.872621 where: bonds (distance) C4'-P energy: -123.647 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -144.386 flat angles P-C4'-P energy: -66.941 tors. eta vs tors. theta energy: -53.894 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: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1276.550513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.550513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.550513 (E_RNA) where: Base-Base interactions energy: -765.222 where: short stacking energy: -394.602 Base-Backbone interact. energy: -2.661 local terms energy: -508.666675 where: bonds (distance) C4'-P energy: -135.153 bonds (distance) P-C4' energy: -130.213 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -51.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -866.223913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.223913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.223913 (E_RNA) where: Base-Base interactions energy: -431.321 where: short stacking energy: -265.500 Base-Backbone interact. energy: 8.457 local terms energy: -443.359742 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -132.901 flat angles C4'-P-C4' energy: -118.329 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -9.481 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: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2448.402417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.402417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.402417 (E_RNA) where: Base-Base interactions energy: -1629.549 where: short stacking energy: -797.957 Base-Backbone interact. energy: -2.307 local terms energy: -816.546695 where: bonds (distance) C4'-P energy: -158.751 bonds (distance) P-C4' energy: -162.698 flat angles C4'-P-C4' energy: -178.234 flat angles P-C4'-P energy: -123.095 tors. eta vs tors. theta energy: -193.768 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2399.915631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.915631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.915631 (E_RNA) where: Base-Base interactions energy: -1628.709 where: short stacking energy: -722.981 Base-Backbone interact. energy: -2.718 local terms energy: -768.488863 where: bonds (distance) C4'-P energy: -152.487 bonds (distance) P-C4' energy: -167.666 flat angles C4'-P-C4' energy: -175.158 flat angles P-C4'-P energy: -94.303 tors. eta vs tors. theta energy: -178.875 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: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2274.254994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.254994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.254994 (E_RNA) where: Base-Base interactions energy: -1531.756 where: short stacking energy: -671.316 Base-Backbone interact. energy: -3.126 local terms energy: -739.373136 where: bonds (distance) C4'-P energy: -146.288 bonds (distance) P-C4' energy: -156.735 flat angles C4'-P-C4' energy: -172.486 flat angles P-C4'-P energy: -107.659 tors. eta vs tors. theta energy: -156.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2130.678887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.678887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.678887 (E_RNA) where: Base-Base interactions energy: -1453.726 where: short stacking energy: -667.151 Base-Backbone interact. energy: 2.143 local terms energy: -679.096352 where: bonds (distance) C4'-P energy: -141.164 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -144.615 flat angles P-C4'-P energy: -103.464 tors. eta vs tors. theta energy: -147.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1982.742749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.742749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.742749 (E_RNA) where: Base-Base interactions energy: -1297.063 where: short stacking energy: -650.552 Base-Backbone interact. energy: 1.526 local terms energy: -687.205874 where: bonds (distance) C4'-P energy: -139.525 bonds (distance) P-C4' energy: -134.828 flat angles C4'-P-C4' energy: -152.153 flat angles P-C4'-P energy: -91.316 tors. eta vs tors. theta energy: -169.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1736.373045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.373045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.373045 (E_RNA) where: Base-Base interactions energy: -1132.592 where: short stacking energy: -554.231 Base-Backbone interact. energy: 1.128 local terms energy: -604.908950 where: bonds (distance) C4'-P energy: -121.989 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -142.226 flat angles P-C4'-P energy: -93.827 tors. eta vs tors. theta energy: -103.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1438.941215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.941215 (E_RNA) where: Base-Base interactions energy: -865.110 where: short stacking energy: -434.823 Base-Backbone interact. energy: -4.196 local terms energy: -569.634932 where: bonds (distance) C4'-P energy: -133.310 bonds (distance) P-C4' energy: -146.857 flat angles C4'-P-C4' energy: -124.904 flat angles P-C4'-P energy: -94.122 tors. eta vs tors. theta energy: -70.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1405.926350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.926350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.926350 (E_RNA) where: Base-Base interactions energy: -830.845 where: short stacking energy: -414.499 Base-Backbone interact. energy: -0.089 local terms energy: -574.993320 where: bonds (distance) C4'-P energy: -155.944 bonds (distance) P-C4' energy: -126.728 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -67.244 tors. eta vs tors. theta energy: -68.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1258.092625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.092625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.092625 (E_RNA) where: Base-Base interactions energy: -739.227 where: short stacking energy: -379.542 Base-Backbone interact. energy: -0.416 local terms energy: -518.449699 where: bonds (distance) C4'-P energy: -121.548 bonds (distance) P-C4' energy: -128.229 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -65.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -838.677191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.677191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.677191 (E_RNA) where: Base-Base interactions energy: -399.585 where: short stacking energy: -292.593 Base-Backbone interact. energy: 6.540 local terms energy: -445.632087 where: bonds (distance) C4'-P energy: -122.068 bonds (distance) P-C4' energy: -120.148 flat angles C4'-P-C4' energy: -123.024 flat angles P-C4'-P energy: -68.912 tors. eta vs tors. theta energy: -11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2478.048462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.048462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.048462 (E_RNA) where: Base-Base interactions energy: -1673.564 where: short stacking energy: -768.014 Base-Backbone interact. energy: -4.187 local terms energy: -800.297592 where: bonds (distance) C4'-P energy: -155.032 bonds (distance) P-C4' energy: -167.891 flat angles C4'-P-C4' energy: -172.216 flat angles P-C4'-P energy: -110.209 tors. eta vs tors. theta energy: -194.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2456.821897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.821897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.821897 (E_RNA) where: Base-Base interactions energy: -1688.230 where: short stacking energy: -753.835 Base-Backbone interact. energy: -5.253 local terms energy: -763.339745 where: bonds (distance) C4'-P energy: -170.456 bonds (distance) P-C4' energy: -152.587 flat angles C4'-P-C4' energy: -171.494 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -171.044 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: 9 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2288.465876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.465876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.465876 (E_RNA) where: Base-Base interactions energy: -1554.684 where: short stacking energy: -686.679 Base-Backbone interact. energy: -0.252 local terms energy: -733.529959 where: bonds (distance) C4'-P energy: -165.426 bonds (distance) P-C4' energy: -151.447 flat angles C4'-P-C4' energy: -157.776 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -158.454 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: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2146.091397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.091397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.091397 (E_RNA) where: Base-Base interactions energy: -1472.502 where: short stacking energy: -651.468 Base-Backbone interact. energy: -4.792 local terms energy: -668.796857 where: bonds (distance) C4'-P energy: -141.371 bonds (distance) P-C4' energy: -142.773 flat angles C4'-P-C4' energy: -159.163 flat angles P-C4'-P energy: -94.786 tors. eta vs tors. theta energy: -130.705 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: 30 Temperature: 1.100000 Total energy: -2002.871286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.871286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.871286 (E_RNA) where: Base-Base interactions energy: -1329.711 where: short stacking energy: -636.395 Base-Backbone interact. energy: -0.146 local terms energy: -673.014260 where: bonds (distance) C4'-P energy: -139.547 bonds (distance) P-C4' energy: -151.043 flat angles C4'-P-C4' energy: -148.959 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -162.015 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1692.457098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.457098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.457098 (E_RNA) where: Base-Base interactions energy: -1099.469 where: short stacking energy: -511.904 Base-Backbone interact. energy: 2.369 local terms energy: -595.357128 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -141.230 flat angles C4'-P-C4' energy: -133.967 flat angles P-C4'-P energy: -106.255 tors. eta vs tors. theta energy: -91.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1371.540840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.540840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.540840 (E_RNA) where: Base-Base interactions energy: -810.048 where: short stacking energy: -437.818 Base-Backbone interact. energy: -1.165 local terms energy: -560.328150 where: bonds (distance) C4'-P energy: -124.743 bonds (distance) P-C4' energy: -141.238 flat angles C4'-P-C4' energy: -144.767 flat angles P-C4'-P energy: -67.982 tors. eta vs tors. theta energy: -81.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1433.320853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.320853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.320853 (E_RNA) where: Base-Base interactions energy: -874.875 where: short stacking energy: -428.473 Base-Backbone interact. energy: 5.921 local terms energy: -564.366960 where: bonds (distance) C4'-P energy: -115.362 bonds (distance) P-C4' energy: -133.923 flat angles C4'-P-C4' energy: -138.980 flat angles P-C4'-P energy: -96.715 tors. eta vs tors. theta energy: -79.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1276.608300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.608300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.608300 (E_RNA) where: Base-Base interactions energy: -763.795 where: short stacking energy: -361.880 Base-Backbone interact. energy: -0.785 local terms energy: -512.028019 where: bonds (distance) C4'-P energy: -135.502 bonds (distance) P-C4' energy: -127.573 flat angles C4'-P-C4' energy: -116.261 flat angles P-C4'-P energy: -73.894 tors. eta vs tors. theta energy: -58.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -870.111774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.111774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.111774 (E_RNA) where: Base-Base interactions energy: -457.792 where: short stacking energy: -258.867 Base-Backbone interact. energy: 5.138 local terms energy: -417.457760 where: bonds (distance) C4'-P energy: -122.766 bonds (distance) P-C4' energy: -149.373 flat angles C4'-P-C4' energy: -114.706 flat angles P-C4'-P energy: -46.064 tors. eta vs tors. theta energy: 15.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2516.372920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.372920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.372920 (E_RNA) where: Base-Base interactions energy: -1719.050 where: short stacking energy: -808.101 Base-Backbone interact. energy: -0.851 local terms energy: -796.471813 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -143.222 flat angles C4'-P-C4' energy: -188.849 flat angles P-C4'-P energy: -117.228 tors. eta vs tors. theta energy: -203.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2452.612000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.612000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.612000 (E_RNA) where: Base-Base interactions energy: -1715.224 where: short stacking energy: -754.289 Base-Backbone interact. energy: -1.807 local terms energy: -735.581562 where: bonds (distance) C4'-P energy: -143.792 bonds (distance) P-C4' energy: -160.441 flat angles C4'-P-C4' energy: -173.552 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -169.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2351.402588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.402588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.402588 (E_RNA) where: Base-Base interactions energy: -1587.387 where: short stacking energy: -720.490 Base-Backbone interact. energy: -2.274 local terms energy: -761.741671 where: bonds (distance) C4'-P energy: -155.751 bonds (distance) P-C4' energy: -151.625 flat angles C4'-P-C4' energy: -175.791 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -182.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2200.743480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.743480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.743480 (E_RNA) where: Base-Base interactions energy: -1516.067 where: short stacking energy: -646.498 Base-Backbone interact. energy: -0.508 local terms energy: -684.168485 where: bonds (distance) C4'-P energy: -142.796 bonds (distance) P-C4' energy: -161.223 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -97.086 tors. eta vs tors. theta energy: -130.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2041.132641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.132641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.132641 (E_RNA) where: Base-Base interactions energy: -1342.331 where: short stacking energy: -646.531 Base-Backbone interact. energy: -1.457 local terms energy: -697.344381 where: bonds (distance) C4'-P energy: -161.345 bonds (distance) P-C4' energy: -140.255 flat angles C4'-P-C4' energy: -161.421 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -155.313 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: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1730.791276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.791276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.791276 (E_RNA) where: Base-Base interactions energy: -1101.722 where: short stacking energy: -568.601 Base-Backbone interact. energy: 7.836 local terms energy: -636.904854 where: bonds (distance) C4'-P energy: -140.014 bonds (distance) P-C4' energy: -150.849 flat angles C4'-P-C4' energy: -150.847 flat angles P-C4'-P energy: -87.416 tors. eta vs tors. theta energy: -107.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1395.747685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.747685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.747685 (E_RNA) where: Base-Base interactions energy: -829.948 where: short stacking energy: -444.447 Base-Backbone interact. energy: -0.373 local terms energy: -565.426623 where: bonds (distance) C4'-P energy: -136.791 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -123.768 flat angles P-C4'-P energy: -78.235 tors. eta vs tors. theta energy: -92.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1454.234678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.234678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.234678 (E_RNA) where: Base-Base interactions energy: -880.092 where: short stacking energy: -460.464 Base-Backbone interact. energy: -3.824 local terms energy: -570.317995 where: bonds (distance) C4'-P energy: -149.322 bonds (distance) P-C4' energy: -113.801 flat angles C4'-P-C4' energy: -147.043 flat angles P-C4'-P energy: -91.439 tors. eta vs tors. theta energy: -68.712 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: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1288.457993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.457993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.457993 (E_RNA) where: Base-Base interactions energy: -808.396 where: short stacking energy: -415.453 Base-Backbone interact. energy: 0.749 local terms energy: -480.811166 where: bonds (distance) C4'-P energy: -112.613 bonds (distance) P-C4' energy: -126.203 flat angles C4'-P-C4' energy: -122.874 flat angles P-C4'-P energy: -78.810 tors. eta vs tors. theta energy: -40.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -913.627173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.627173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.627173 (E_RNA) where: Base-Base interactions energy: -483.001 where: short stacking energy: -298.492 Base-Backbone interact. energy: -0.144 local terms energy: -430.482396 where: bonds (distance) C4'-P energy: -112.108 bonds (distance) P-C4' energy: -127.684 flat angles C4'-P-C4' energy: -112.539 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -11.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2513.366775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.366775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.366775 (E_RNA) where: Base-Base interactions energy: -1713.806 where: short stacking energy: -769.383 Base-Backbone interact. energy: -4.682 local terms energy: -794.878055 where: bonds (distance) C4'-P energy: -162.815 bonds (distance) P-C4' energy: -154.074 flat angles C4'-P-C4' energy: -176.392 flat angles P-C4'-P energy: -110.066 tors. eta vs tors. theta energy: -191.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2484.184733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.184733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.184733 (E_RNA) where: Base-Base interactions energy: -1694.442 where: short stacking energy: -751.972 Base-Backbone interact. energy: -2.720 local terms energy: -787.022838 where: bonds (distance) C4'-P energy: -172.155 bonds (distance) P-C4' energy: -151.247 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -117.773 tors. eta vs tors. theta energy: -182.376 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: 9 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2334.486812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.486812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.486812 (E_RNA) where: Base-Base interactions energy: -1615.616 where: short stacking energy: -716.397 Base-Backbone interact. energy: -5.066 local terms energy: -713.804042 where: bonds (distance) C4'-P energy: -123.536 bonds (distance) P-C4' energy: -159.929 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -107.301 tors. eta vs tors. theta energy: -160.230 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2227.718909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.718909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.718909 (E_RNA) where: Base-Base interactions energy: -1510.275 where: short stacking energy: -673.394 Base-Backbone interact. energy: -3.050 local terms energy: -714.393755 where: bonds (distance) C4'-P energy: -127.397 bonds (distance) P-C4' energy: -145.983 flat angles C4'-P-C4' energy: -168.726 flat angles P-C4'-P energy: -110.571 tors. eta vs tors. theta energy: -161.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2080.976220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.976220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.976220 (E_RNA) where: Base-Base interactions energy: -1381.935 where: short stacking energy: -638.227 Base-Backbone interact. energy: -3.617 local terms energy: -695.424303 where: bonds (distance) C4'-P energy: -134.203 bonds (distance) P-C4' energy: -137.782 flat angles C4'-P-C4' energy: -152.894 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -163.499 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: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1763.483406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.483406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.483406 (E_RNA) where: Base-Base interactions energy: -1173.249 where: short stacking energy: -533.083 Base-Backbone interact. energy: 0.250 local terms energy: -590.484922 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -149.238 flat angles P-C4'-P energy: -68.180 tors. eta vs tors. theta energy: -103.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1465.551650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.551650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.551650 (E_RNA) where: Base-Base interactions energy: -884.198 where: short stacking energy: -445.659 Base-Backbone interact. energy: -2.273 local terms energy: -579.080450 where: bonds (distance) C4'-P energy: -124.480 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -137.634 flat angles P-C4'-P energy: -89.964 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: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1360.340217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.340217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.340217 (E_RNA) where: Base-Base interactions energy: -827.005 where: short stacking energy: -416.374 Base-Backbone interact. energy: -0.566 local terms energy: -532.768891 where: bonds (distance) C4'-P energy: -126.713 bonds (distance) P-C4' energy: -146.605 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -83.004 tors. eta vs tors. theta energy: -70.198 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: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1373.050428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.050428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.050428 (E_RNA) where: Base-Base interactions energy: -865.741 where: short stacking energy: -420.622 Base-Backbone interact. energy: 1.927 local terms energy: -509.236906 where: bonds (distance) C4'-P energy: -124.992 bonds (distance) P-C4' energy: -134.962 flat angles C4'-P-C4' energy: -120.639 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: -63.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -957.139629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.139629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.139629 (E_RNA) where: Base-Base interactions energy: -516.186 where: short stacking energy: -306.717 Base-Backbone interact. energy: -1.248 local terms energy: -439.705770 where: bonds (distance) C4'-P energy: -120.873 bonds (distance) P-C4' energy: -123.158 flat angles C4'-P-C4' energy: -110.144 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -16.521 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: 7 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2506.906343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.906343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.906343 (E_RNA) where: Base-Base interactions energy: -1703.319 where: short stacking energy: -753.935 Base-Backbone interact. energy: -4.670 local terms energy: -798.917753 where: bonds (distance) C4'-P energy: -159.727 bonds (distance) P-C4' energy: -160.455 flat angles C4'-P-C4' energy: -163.871 flat angles P-C4'-P energy: -122.876 tors. eta vs tors. theta energy: -191.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2394.826924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.826924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.826924 (E_RNA) where: Base-Base interactions energy: -1627.549 where: short stacking energy: -743.858 Base-Backbone interact. energy: -1.076 local terms energy: -766.202025 where: bonds (distance) C4'-P energy: -164.239 bonds (distance) P-C4' energy: -163.753 flat angles C4'-P-C4' energy: -147.088 flat angles P-C4'-P energy: -119.985 tors. eta vs tors. theta energy: -171.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2431.224992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.224992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.224992 (E_RNA) where: Base-Base interactions energy: -1673.117 where: short stacking energy: -719.662 Base-Backbone interact. energy: -2.835 local terms energy: -755.273494 where: bonds (distance) C4'-P energy: -156.376 bonds (distance) P-C4' energy: -142.287 flat angles C4'-P-C4' energy: -168.761 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -178.741 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: 33 Temperature: 1.050000 Total energy: -2199.172227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.172227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.172227 (E_RNA) where: Base-Base interactions energy: -1477.525 where: short stacking energy: -659.769 Base-Backbone interact. energy: 1.749 local terms energy: -723.395698 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -156.916 flat angles C4'-P-C4' energy: -149.645 flat angles P-C4'-P energy: -116.906 tors. eta vs tors. theta energy: -153.698 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: 33 Temperature: 1.100000 Total energy: -2099.755936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.755936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.755936 (E_RNA) where: Base-Base interactions energy: -1397.934 where: short stacking energy: -663.301 Base-Backbone interact. energy: 0.978 local terms energy: -702.799677 where: bonds (distance) C4'-P energy: -123.227 bonds (distance) P-C4' energy: -161.336 flat angles C4'-P-C4' energy: -159.770 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -159.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1777.099002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.099002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.099002 (E_RNA) where: Base-Base interactions energy: -1135.857 where: short stacking energy: -544.728 Base-Backbone interact. energy: 0.120 local terms energy: -641.361364 where: bonds (distance) C4'-P energy: -129.516 bonds (distance) P-C4' energy: -128.577 flat angles C4'-P-C4' energy: -158.397 flat angles P-C4'-P energy: -95.977 tors. eta vs tors. theta energy: -128.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1570.077782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.077782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.077782 (E_RNA) where: Base-Base interactions energy: -992.646 where: short stacking energy: -491.215 Base-Backbone interact. energy: -4.743 local terms energy: -572.688313 where: bonds (distance) C4'-P energy: -118.878 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -144.872 flat angles P-C4'-P energy: -97.400 tors. eta vs tors. theta energy: -87.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1384.678277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.678277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.678277 (E_RNA) where: Base-Base interactions energy: -853.118 where: short stacking energy: -424.755 Base-Backbone interact. energy: -0.209 local terms energy: -531.351105 where: bonds (distance) C4'-P energy: -122.784 bonds (distance) P-C4' energy: -136.594 flat angles C4'-P-C4' energy: -134.011 flat angles P-C4'-P energy: -84.628 tors. eta vs tors. theta energy: -53.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1314.286345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.286345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.286345 (E_RNA) where: Base-Base interactions energy: -797.375 where: short stacking energy: -368.706 Base-Backbone interact. energy: -0.649 local terms energy: -516.262442 where: bonds (distance) C4'-P energy: -116.114 bonds (distance) P-C4' energy: -133.611 flat angles C4'-P-C4' energy: -129.667 flat angles P-C4'-P energy: -87.903 tors. eta vs tors. theta energy: -48.966 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: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -912.380564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.380564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.380564 (E_RNA) where: Base-Base interactions energy: -460.212 where: short stacking energy: -260.266 Base-Backbone interact. energy: -0.088 local terms energy: -452.081292 where: bonds (distance) C4'-P energy: -145.558 bonds (distance) P-C4' energy: -136.017 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: -8.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2493.176605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.176605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.176605 (E_RNA) where: Base-Base interactions energy: -1673.087 where: short stacking energy: -759.709 Base-Backbone interact. energy: -6.792 local terms energy: -813.298179 where: bonds (distance) C4'-P energy: -164.467 bonds (distance) P-C4' energy: -165.672 flat angles C4'-P-C4' energy: -187.992 flat angles P-C4'-P energy: -106.933 tors. eta vs tors. theta energy: -188.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2386.112705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.112705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.112705 (E_RNA) where: Base-Base interactions energy: -1622.030 where: short stacking energy: -769.997 Base-Backbone interact. energy: -1.372 local terms energy: -762.710721 where: bonds (distance) C4'-P energy: -132.685 bonds (distance) P-C4' energy: -168.593 flat angles C4'-P-C4' energy: -171.957 flat angles P-C4'-P energy: -105.208 tors. eta vs tors. theta energy: -184.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2383.998999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.998999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.998999 (E_RNA) where: Base-Base interactions energy: -1660.227 where: short stacking energy: -730.196 Base-Backbone interact. energy: -1.721 local terms energy: -722.051112 where: bonds (distance) C4'-P energy: -148.064 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -161.369 flat angles P-C4'-P energy: -100.073 tors. eta vs tors. theta energy: -180.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2177.157629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.157629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.157629 (E_RNA) where: Base-Base interactions energy: -1485.244 where: short stacking energy: -671.267 Base-Backbone interact. energy: -4.641 local terms energy: -687.272489 where: bonds (distance) C4'-P energy: -140.295 bonds (distance) P-C4' energy: -121.055 flat angles C4'-P-C4' energy: -165.664 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -159.464 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: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2056.633459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.633459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.633459 (E_RNA) where: Base-Base interactions energy: -1327.281 where: short stacking energy: -638.113 Base-Backbone interact. energy: 1.381 local terms energy: -730.732620 where: bonds (distance) C4'-P energy: -161.737 bonds (distance) P-C4' energy: -150.102 flat angles C4'-P-C4' energy: -149.137 flat angles P-C4'-P energy: -112.356 tors. eta vs tors. theta energy: -157.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1733.102987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.102987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.102987 (E_RNA) where: Base-Base interactions energy: -1136.365 where: short stacking energy: -512.376 Base-Backbone interact. energy: -4.034 local terms energy: -592.703948 where: bonds (distance) C4'-P energy: -111.211 bonds (distance) P-C4' energy: -146.919 flat angles C4'-P-C4' energy: -152.718 flat angles P-C4'-P energy: -92.318 tors. eta vs tors. theta energy: -89.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1613.148251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.148251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.148251 (E_RNA) where: Base-Base interactions energy: -1001.835 where: short stacking energy: -498.906 Base-Backbone interact. energy: -4.435 local terms energy: -606.878696 where: bonds (distance) C4'-P energy: -129.467 bonds (distance) P-C4' energy: -142.767 flat angles C4'-P-C4' energy: -148.667 flat angles P-C4'-P energy: -83.773 tors. eta vs tors. theta energy: -102.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1292.978985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.978985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.978985 (E_RNA) where: Base-Base interactions energy: -797.450 where: short stacking energy: -434.380 Base-Backbone interact. energy: 0.356 local terms energy: -495.885117 where: bonds (distance) C4'-P energy: -116.530 bonds (distance) P-C4' energy: -127.789 flat angles C4'-P-C4' energy: -131.942 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -48.419 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: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1298.101490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.101490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.101490 (E_RNA) where: Base-Base interactions energy: -744.241 where: short stacking energy: -388.905 Base-Backbone interact. energy: -1.868 local terms energy: -551.991835 where: bonds (distance) C4'-P energy: -122.032 bonds (distance) P-C4' energy: -151.927 flat angles C4'-P-C4' energy: -130.685 flat angles P-C4'-P energy: -74.587 tors. eta vs tors. theta energy: -72.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -971.676275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.676275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.676275 (E_RNA) where: Base-Base interactions energy: -515.156 where: short stacking energy: -301.468 Base-Backbone interact. energy: 11.227 local terms energy: -467.747505 where: bonds (distance) C4'-P energy: -121.160 bonds (distance) P-C4' energy: -132.962 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -38.636 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: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2452.991896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.991896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.991896 (E_RNA) where: Base-Base interactions energy: -1633.373 where: short stacking energy: -753.952 Base-Backbone interact. energy: -5.694 local terms energy: -813.923980 where: bonds (distance) C4'-P energy: -156.541 bonds (distance) P-C4' energy: -164.739 flat angles C4'-P-C4' energy: -176.051 flat angles P-C4'-P energy: -119.185 tors. eta vs tors. theta energy: -197.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2530.300869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.300869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.300869 (E_RNA) where: Base-Base interactions energy: -1761.717 where: short stacking energy: -739.635 Base-Backbone interact. energy: 0.208 local terms energy: -768.791583 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -156.658 flat angles C4'-P-C4' energy: -174.811 flat angles P-C4'-P energy: -98.592 tors. eta vs tors. theta energy: -186.241 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: 9 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2322.189500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.189500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.189500 (E_RNA) where: Base-Base interactions energy: -1580.330 where: short stacking energy: -735.155 Base-Backbone interact. energy: -2.808 local terms energy: -739.051126 where: bonds (distance) C4'-P energy: -145.490 bonds (distance) P-C4' energy: -151.130 flat angles C4'-P-C4' energy: -162.866 flat angles P-C4'-P energy: -101.372 tors. eta vs tors. theta energy: -178.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2254.299415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.299415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.299415 (E_RNA) where: Base-Base interactions energy: -1521.543 where: short stacking energy: -682.973 Base-Backbone interact. energy: 1.099 local terms energy: -733.855331 where: bonds (distance) C4'-P energy: -114.546 bonds (distance) P-C4' energy: -165.451 flat angles C4'-P-C4' energy: -171.268 flat angles P-C4'-P energy: -113.002 tors. eta vs tors. theta energy: -169.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2130.457088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.457088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.457088 (E_RNA) where: Base-Base interactions energy: -1439.528 where: short stacking energy: -652.085 Base-Backbone interact. energy: -2.282 local terms energy: -688.647437 where: bonds (distance) C4'-P energy: -124.690 bonds (distance) P-C4' energy: -152.068 flat angles C4'-P-C4' energy: -173.377 flat angles P-C4'-P energy: -83.222 tors. eta vs tors. theta energy: -155.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1748.185536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.185536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.185536 (E_RNA) where: Base-Base interactions energy: -1139.421 where: short stacking energy: -539.976 Base-Backbone interact. energy: -5.738 local terms energy: -603.026219 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -118.324 flat angles C4'-P-C4' energy: -147.970 flat angles P-C4'-P energy: -87.146 tors. eta vs tors. theta energy: -103.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1504.967466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.967466 (E_RNA) where: Base-Base interactions energy: -932.191 where: short stacking energy: -482.883 Base-Backbone interact. energy: -3.352 local terms energy: -569.424038 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -148.166 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -76.659 tors. eta vs tors. theta energy: -83.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1523.091449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.091449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.091449 (E_RNA) where: Base-Base interactions energy: -974.930 where: short stacking energy: -467.326 Base-Backbone interact. energy: -1.252 local terms energy: -546.909144 where: bonds (distance) C4'-P energy: -129.870 bonds (distance) P-C4' energy: -135.683 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -73.585 tors. eta vs tors. theta energy: -74.981 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: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1229.259954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.259954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.259954 (E_RNA) where: Base-Base interactions energy: -764.755 where: short stacking energy: -361.478 Base-Backbone interact. energy: -1.480 local terms energy: -463.025644 where: bonds (distance) C4'-P energy: -114.449 bonds (distance) P-C4' energy: -130.717 flat angles C4'-P-C4' energy: -138.185 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -21.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1001.593881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.593881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.593881 (E_RNA) where: Base-Base interactions energy: -499.781 where: short stacking energy: -274.195 Base-Backbone interact. energy: -3.401 local terms energy: -498.411473 where: bonds (distance) C4'-P energy: -136.534 bonds (distance) P-C4' energy: -146.565 flat angles C4'-P-C4' energy: -125.302 flat angles P-C4'-P energy: -75.042 tors. eta vs tors. theta energy: -14.967 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: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2597.003984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.003984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.003984 (E_RNA) where: Base-Base interactions energy: -1792.096 where: short stacking energy: -784.952 Base-Backbone interact. energy: -4.690 local terms energy: -800.217544 where: bonds (distance) C4'-P energy: -155.688 bonds (distance) P-C4' energy: -156.686 flat angles C4'-P-C4' energy: -177.411 flat angles P-C4'-P energy: -118.960 tors. eta vs tors. theta energy: -191.472 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: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2382.542877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.542877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.542877 (E_RNA) where: Base-Base interactions energy: -1586.432 where: short stacking energy: -748.117 Base-Backbone interact. energy: -5.875 local terms energy: -790.235767 where: bonds (distance) C4'-P energy: -160.335 bonds (distance) P-C4' energy: -170.311 flat angles C4'-P-C4' energy: -158.514 flat angles P-C4'-P energy: -112.597 tors. eta vs tors. theta energy: -188.479 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: 9 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2287.511870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.511870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.511870 (E_RNA) where: Base-Base interactions energy: -1552.670 where: short stacking energy: -718.183 Base-Backbone interact. energy: -2.168 local terms energy: -732.673678 where: bonds (distance) C4'-P energy: -150.075 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -163.908 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -171.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2257.605893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.605893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.605893 (E_RNA) where: Base-Base interactions energy: -1539.720 where: short stacking energy: -676.766 Base-Backbone interact. energy: 3.624 local terms energy: -721.510053 where: bonds (distance) C4'-P energy: -142.184 bonds (distance) P-C4' energy: -156.428 flat angles C4'-P-C4' energy: -151.084 flat angles P-C4'-P energy: -118.765 tors. eta vs tors. theta energy: -153.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2123.179316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.179316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.179316 (E_RNA) where: Base-Base interactions energy: -1395.603 where: short stacking energy: -637.958 Base-Backbone interact. energy: -3.529 local terms energy: -724.047324 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -141.356 flat angles C4'-P-C4' energy: -158.068 flat angles P-C4'-P energy: -111.767 tors. eta vs tors. theta energy: -165.322 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: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1773.513631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.513631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.513631 (E_RNA) where: Base-Base interactions energy: -1132.606 where: short stacking energy: -519.787 Base-Backbone interact. energy: -2.061 local terms energy: -638.846553 where: bonds (distance) C4'-P energy: -133.033 bonds (distance) P-C4' energy: -166.620 flat angles C4'-P-C4' energy: -154.253 flat angles P-C4'-P energy: -93.584 tors. eta vs tors. theta energy: -91.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1696.681312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.681312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.681312 (E_RNA) where: Base-Base interactions energy: -1099.852 where: short stacking energy: -517.136 Base-Backbone interact. energy: 5.762 local terms energy: -602.591598 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -143.394 flat angles C4'-P-C4' energy: -151.493 flat angles P-C4'-P energy: -80.152 tors. eta vs tors. theta energy: -98.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1450.588601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.588601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.588601 (E_RNA) where: Base-Base interactions energy: -865.041 where: short stacking energy: -434.732 Base-Backbone interact. energy: 6.127 local terms energy: -591.674907 where: bonds (distance) C4'-P energy: -136.438 bonds (distance) P-C4' energy: -145.842 flat angles C4'-P-C4' energy: -150.555 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -75.399 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: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1209.449525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.449525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.449525 (E_RNA) where: Base-Base interactions energy: -739.025 where: short stacking energy: -402.471 Base-Backbone interact. energy: 7.671 local terms energy: -478.096205 where: bonds (distance) C4'-P energy: -130.079 bonds (distance) P-C4' energy: -126.382 flat angles C4'-P-C4' energy: -104.612 flat angles P-C4'-P energy: -67.581 tors. eta vs tors. theta energy: -49.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -927.381952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.381952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.381952 (E_RNA) where: Base-Base interactions energy: -544.033 where: short stacking energy: -302.670 Base-Backbone interact. energy: -0.322 local terms energy: -383.026011 where: bonds (distance) C4'-P energy: -108.591 bonds (distance) P-C4' energy: -132.600 flat angles C4'-P-C4' energy: -107.113 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: 6.162 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: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2597.914987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.914987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.914987 (E_RNA) where: Base-Base interactions energy: -1827.323 where: short stacking energy: -785.589 Base-Backbone interact. energy: -0.073 local terms energy: -770.518745 where: bonds (distance) C4'-P energy: -160.308 bonds (distance) P-C4' energy: -157.007 flat angles C4'-P-C4' energy: -164.749 flat angles P-C4'-P energy: -105.706 tors. eta vs tors. theta energy: -182.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2449.310734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.310734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.310734 (E_RNA) where: Base-Base interactions energy: -1646.899 where: short stacking energy: -764.759 Base-Backbone interact. energy: -1.992 local terms energy: -800.419224 where: bonds (distance) C4'-P energy: -163.763 bonds (distance) P-C4' energy: -147.398 flat angles C4'-P-C4' energy: -170.858 flat angles P-C4'-P energy: -125.495 tors. eta vs tors. theta energy: -192.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2309.593462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.593462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.593462 (E_RNA) where: Base-Base interactions energy: -1568.706 where: short stacking energy: -707.819 Base-Backbone interact. energy: 1.341 local terms energy: -742.229016 where: bonds (distance) C4'-P energy: -139.062 bonds (distance) P-C4' energy: -164.364 flat angles C4'-P-C4' energy: -170.280 flat angles P-C4'-P energy: -101.191 tors. eta vs tors. theta energy: -167.332 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: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2239.788865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.788865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.788865 (E_RNA) where: Base-Base interactions energy: -1541.507 where: short stacking energy: -681.506 Base-Backbone interact. energy: -5.244 local terms energy: -693.038100 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -158.908 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -101.882 tors. eta vs tors. theta energy: -142.272 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: 37 Temperature: 1.100000 Total energy: -2182.707939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.707939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.707939 (E_RNA) where: Base-Base interactions energy: -1453.384 where: short stacking energy: -664.525 Base-Backbone interact. energy: -0.743 local terms energy: -728.581545 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -158.769 flat angles P-C4'-P energy: -108.103 tors. eta vs tors. theta energy: -170.467 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: 37 Temperature: 1.150000 Total energy: -1875.162535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.162535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.162535 (E_RNA) where: Base-Base interactions energy: -1204.104 where: short stacking energy: -590.539 Base-Backbone interact. energy: -0.193 local terms energy: -670.865112 where: bonds (distance) C4'-P energy: -147.096 bonds (distance) P-C4' energy: -148.765 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -77.585 tors. eta vs tors. theta energy: -145.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1620.187389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.187389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.187389 (E_RNA) where: Base-Base interactions energy: -1041.761 where: short stacking energy: -486.807 Base-Backbone interact. energy: -2.632 local terms energy: -575.793970 where: bonds (distance) C4'-P energy: -131.603 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -138.181 flat angles P-C4'-P energy: -78.418 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: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1349.232143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.232143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.232143 (E_RNA) where: Base-Base interactions energy: -785.229 where: short stacking energy: -390.190 Base-Backbone interact. energy: 0.073 local terms energy: -564.076933 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -155.327 flat angles P-C4'-P energy: -79.668 tors. eta vs tors. theta energy: -64.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1298.780103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.780103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.780103 (E_RNA) where: Base-Base interactions energy: -758.072 where: short stacking energy: -397.778 Base-Backbone interact. energy: -0.227 local terms energy: -540.480806 where: bonds (distance) C4'-P energy: -134.110 bonds (distance) P-C4' energy: -143.512 flat angles C4'-P-C4' energy: -122.720 flat angles P-C4'-P energy: -80.757 tors. eta vs tors. theta energy: -59.382 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: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -882.559638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.559638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.559638 (E_RNA) where: Base-Base interactions energy: -476.752 where: short stacking energy: -237.981 Base-Backbone interact. energy: 1.636 local terms energy: -407.443267 where: bonds (distance) C4'-P energy: -138.003 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -92.654 flat angles P-C4'-P energy: -62.233 tors. eta vs tors. theta energy: 9.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2619.551759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.551759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.551759 (E_RNA) where: Base-Base interactions energy: -1844.565 where: short stacking energy: -770.988 Base-Backbone interact. energy: 3.816 local terms energy: -778.803511 where: bonds (distance) C4'-P energy: -151.218 bonds (distance) P-C4' energy: -158.015 flat angles C4'-P-C4' energy: -161.737 flat angles P-C4'-P energy: -120.332 tors. eta vs tors. theta energy: -187.502 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: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2446.644078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.644078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.644078 (E_RNA) where: Base-Base interactions energy: -1649.870 where: short stacking energy: -785.883 Base-Backbone interact. energy: -4.228 local terms energy: -792.545790 where: bonds (distance) C4'-P energy: -152.734 bonds (distance) P-C4' energy: -162.165 flat angles C4'-P-C4' energy: -176.587 flat angles P-C4'-P energy: -107.684 tors. eta vs tors. theta energy: -193.376 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2394.068118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.068118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.068118 (E_RNA) where: Base-Base interactions energy: -1645.554 where: short stacking energy: -721.290 Base-Backbone interact. energy: -3.294 local terms energy: -745.220483 where: bonds (distance) C4'-P energy: -146.678 bonds (distance) P-C4' energy: -143.113 flat angles C4'-P-C4' energy: -175.317 flat angles P-C4'-P energy: -113.390 tors. eta vs tors. theta energy: -166.723 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: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2225.408440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.408440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.408440 (E_RNA) where: Base-Base interactions energy: -1492.504 where: short stacking energy: -689.855 Base-Backbone interact. energy: -1.256 local terms energy: -731.648534 where: bonds (distance) C4'-P energy: -145.890 bonds (distance) P-C4' energy: -153.673 flat angles C4'-P-C4' energy: -166.379 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -175.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2207.183450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.183450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.183450 (E_RNA) where: Base-Base interactions energy: -1498.291 where: short stacking energy: -695.869 Base-Backbone interact. energy: -1.705 local terms energy: -707.187546 where: bonds (distance) C4'-P energy: -134.018 bonds (distance) P-C4' energy: -141.434 flat angles C4'-P-C4' energy: -162.361 flat angles P-C4'-P energy: -98.074 tors. eta vs tors. theta energy: -171.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1873.801342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.801342 (E_RNA) where: Base-Base interactions energy: -1269.661 where: short stacking energy: -555.002 Base-Backbone interact. energy: -3.046 local terms energy: -601.094666 where: bonds (distance) C4'-P energy: -124.936 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -146.960 flat angles P-C4'-P energy: -74.973 tors. eta vs tors. theta energy: -121.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1681.976774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.976774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.976774 (E_RNA) where: Base-Base interactions energy: -1103.064 where: short stacking energy: -523.894 Base-Backbone interact. energy: 3.533 local terms energy: -582.445731 where: bonds (distance) C4'-P energy: -131.883 bonds (distance) P-C4' energy: -119.841 flat angles C4'-P-C4' energy: -138.932 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -103.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1413.359539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.359539 (E_RNA) where: Base-Base interactions energy: -878.015 where: short stacking energy: -446.775 Base-Backbone interact. energy: -0.553 local terms energy: -534.791567 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -140.533 flat angles C4'-P-C4' energy: -120.842 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -76.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1220.584002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.584002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.584002 (E_RNA) where: Base-Base interactions energy: -740.570 where: short stacking energy: -386.018 Base-Backbone interact. energy: -1.168 local terms energy: -478.845767 where: bonds (distance) C4'-P energy: -118.791 bonds (distance) P-C4' energy: -129.615 flat angles C4'-P-C4' energy: -117.101 flat angles P-C4'-P energy: -69.327 tors. eta vs tors. theta energy: -44.013 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: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -917.251901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.251901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.251901 (E_RNA) where: Base-Base interactions energy: -498.392 where: short stacking energy: -283.710 Base-Backbone interact. energy: -0.818 local terms energy: -418.041733 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -133.155 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -45.373 tors. eta vs tors. theta energy: -14.969 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: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2621.148784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.148784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.148784 (E_RNA) where: Base-Base interactions energy: -1835.151 where: short stacking energy: -777.719 Base-Backbone interact. energy: -3.445 local terms energy: -782.553252 where: bonds (distance) C4'-P energy: -148.273 bonds (distance) P-C4' energy: -151.543 flat angles C4'-P-C4' energy: -183.879 flat angles P-C4'-P energy: -98.104 tors. eta vs tors. theta energy: -200.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2490.190465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.190465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.190465 (E_RNA) where: Base-Base interactions energy: -1721.744 where: short stacking energy: -764.963 Base-Backbone interact. energy: -1.809 local terms energy: -766.637548 where: bonds (distance) C4'-P energy: -153.673 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -155.359 flat angles P-C4'-P energy: -122.742 tors. eta vs tors. theta energy: -177.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2370.673336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.673336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.673336 (E_RNA) where: Base-Base interactions energy: -1611.818 where: short stacking energy: -751.477 Base-Backbone interact. energy: -2.213 local terms energy: -756.642397 where: bonds (distance) C4'-P energy: -154.858 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -171.000 flat angles P-C4'-P energy: -105.332 tors. eta vs tors. theta energy: -194.090 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: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2179.878985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.878985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.878985 (E_RNA) where: Base-Base interactions energy: -1478.844 where: short stacking energy: -664.702 Base-Backbone interact. energy: 2.033 local terms energy: -703.067899 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -143.886 flat angles C4'-P-C4' energy: -153.912 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -164.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2166.066566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.066566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.066566 (E_RNA) where: Base-Base interactions energy: -1464.493 where: short stacking energy: -685.964 Base-Backbone interact. energy: 0.329 local terms energy: -701.902618 where: bonds (distance) C4'-P energy: -129.816 bonds (distance) P-C4' energy: -138.417 flat angles C4'-P-C4' energy: -162.802 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -179.672 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: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1874.347964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.347964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.347964 (E_RNA) where: Base-Base interactions energy: -1244.447 where: short stacking energy: -559.634 Base-Backbone interact. energy: -4.270 local terms energy: -625.631118 where: bonds (distance) C4'-P energy: -135.783 bonds (distance) P-C4' energy: -151.399 flat angles C4'-P-C4' energy: -143.949 flat angles P-C4'-P energy: -79.883 tors. eta vs tors. theta energy: -114.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1702.390259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.390259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.390259 (E_RNA) where: Base-Base interactions energy: -1099.930 where: short stacking energy: -504.312 Base-Backbone interact. energy: 4.866 local terms energy: -607.326141 where: bonds (distance) C4'-P energy: -133.120 bonds (distance) P-C4' energy: -138.433 flat angles C4'-P-C4' energy: -148.892 flat angles P-C4'-P energy: -86.540 tors. eta vs tors. theta energy: -100.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1396.986076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.986076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.986076 (E_RNA) where: Base-Base interactions energy: -857.578 where: short stacking energy: -435.041 Base-Backbone interact. energy: 0.272 local terms energy: -539.680853 where: bonds (distance) C4'-P energy: -122.770 bonds (distance) P-C4' energy: -132.636 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -90.518 tors. eta vs tors. theta energy: -70.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1264.683415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.683415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.683415 (E_RNA) where: Base-Base interactions energy: -743.254 where: short stacking energy: -393.548 Base-Backbone interact. energy: 1.138 local terms energy: -522.567579 where: bonds (distance) C4'-P energy: -129.512 bonds (distance) P-C4' energy: -137.872 flat angles C4'-P-C4' energy: -139.505 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -42.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -947.073303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.073303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.073303 (E_RNA) where: Base-Base interactions energy: -514.084 where: short stacking energy: -306.265 Base-Backbone interact. energy: -0.623 local terms energy: -432.366456 where: bonds (distance) C4'-P energy: -106.640 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -120.850 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -10.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2670.272735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.272735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.272735 (E_RNA) where: Base-Base interactions energy: -1851.987 where: short stacking energy: -767.081 Base-Backbone interact. energy: -3.309 local terms energy: -814.977449 where: bonds (distance) C4'-P energy: -161.175 bonds (distance) P-C4' energy: -152.772 flat angles C4'-P-C4' energy: -187.454 flat angles P-C4'-P energy: -121.390 tors. eta vs tors. theta energy: -192.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2500.114823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.114823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.114823 (E_RNA) where: Base-Base interactions energy: -1716.110 where: short stacking energy: -744.386 Base-Backbone interact. energy: 3.185 local terms energy: -787.189660 where: bonds (distance) C4'-P energy: -146.362 bonds (distance) P-C4' energy: -173.248 flat angles C4'-P-C4' energy: -179.040 flat angles P-C4'-P energy: -110.010 tors. eta vs tors. theta energy: -178.529 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: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2371.777590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.777590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.777590 (E_RNA) where: Base-Base interactions energy: -1586.709 where: short stacking energy: -761.783 Base-Backbone interact. energy: -3.653 local terms energy: -781.415797 where: bonds (distance) C4'-P energy: -149.850 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -176.099 flat angles P-C4'-P energy: -115.109 tors. eta vs tors. theta energy: -192.339 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: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2240.244577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.244577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.244577 (E_RNA) where: Base-Base interactions energy: -1501.655 where: short stacking energy: -676.821 Base-Backbone interact. energy: -0.737 local terms energy: -737.852539 where: bonds (distance) C4'-P energy: -160.555 bonds (distance) P-C4' energy: -144.203 flat angles C4'-P-C4' energy: -168.527 flat angles P-C4'-P energy: -107.578 tors. eta vs tors. theta energy: -156.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2222.996871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.996871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.996871 (E_RNA) where: Base-Base interactions energy: -1515.056 where: short stacking energy: -687.166 Base-Backbone interact. energy: -6.661 local terms energy: -701.279830 where: bonds (distance) C4'-P energy: -133.035 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -142.685 flat angles P-C4'-P energy: -98.030 tors. eta vs tors. theta energy: -178.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1882.693168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.693168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.693168 (E_RNA) where: Base-Base interactions energy: -1239.335 where: short stacking energy: -582.047 Base-Backbone interact. energy: -2.116 local terms energy: -641.242217 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -155.771 flat angles C4'-P-C4' energy: -137.228 flat angles P-C4'-P energy: -89.769 tors. eta vs tors. theta energy: -125.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1774.865656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.865656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.865656 (E_RNA) where: Base-Base interactions energy: -1183.234 where: short stacking energy: -536.378 Base-Backbone interact. energy: 2.460 local terms energy: -594.092210 where: bonds (distance) C4'-P energy: -132.377 bonds (distance) P-C4' energy: -122.509 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -77.205 tors. eta vs tors. theta energy: -113.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1475.761263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.761263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.761263 (E_RNA) where: Base-Base interactions energy: -932.653 where: short stacking energy: -459.143 Base-Backbone interact. energy: 4.301 local terms energy: -547.408535 where: bonds (distance) C4'-P energy: -123.625 bonds (distance) P-C4' energy: -143.238 flat angles C4'-P-C4' energy: -127.747 flat angles P-C4'-P energy: -74.308 tors. eta vs tors. theta energy: -78.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1337.891566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.891566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.891566 (E_RNA) where: Base-Base interactions energy: -789.584 where: short stacking energy: -393.980 Base-Backbone interact. energy: -0.730 local terms energy: -547.576929 where: bonds (distance) C4'-P energy: -133.440 bonds (distance) P-C4' energy: -140.860 flat angles C4'-P-C4' energy: -133.879 flat angles P-C4'-P energy: -79.272 tors. eta vs tors. theta energy: -60.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -980.036827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.036827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.036827 (E_RNA) where: Base-Base interactions energy: -523.282 where: short stacking energy: -297.865 Base-Backbone interact. energy: 4.708 local terms energy: -461.462931 where: bonds (distance) C4'-P energy: -128.787 bonds (distance) P-C4' energy: -130.941 flat angles C4'-P-C4' energy: -113.797 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -9.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2627.268436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.268436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.268436 (E_RNA) where: Base-Base interactions energy: -1845.213 where: short stacking energy: -762.871 Base-Backbone interact. energy: -1.627 local terms energy: -780.428697 where: bonds (distance) C4'-P energy: -150.584 bonds (distance) P-C4' energy: -160.148 flat angles C4'-P-C4' energy: -172.420 flat angles P-C4'-P energy: -110.285 tors. eta vs tors. theta energy: -186.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2498.198712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.198712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.198712 (E_RNA) where: Base-Base interactions energy: -1718.259 where: short stacking energy: -761.530 Base-Backbone interact. energy: 0.307 local terms energy: -780.247096 where: bonds (distance) C4'-P energy: -156.276 bonds (distance) P-C4' energy: -160.947 flat angles C4'-P-C4' energy: -162.060 flat angles P-C4'-P energy: -114.508 tors. eta vs tors. theta energy: -186.455 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: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2351.919680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.919680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.919680 (E_RNA) where: Base-Base interactions energy: -1623.191 where: short stacking energy: -718.602 Base-Backbone interact. energy: -2.272 local terms energy: -726.457025 where: bonds (distance) C4'-P energy: -141.095 bonds (distance) P-C4' energy: -147.836 flat angles C4'-P-C4' energy: -171.515 flat angles P-C4'-P energy: -103.893 tors. eta vs tors. theta energy: -162.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2253.044936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.044936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.044936 (E_RNA) where: Base-Base interactions energy: -1516.437 where: short stacking energy: -687.934 Base-Backbone interact. energy: 3.963 local terms energy: -740.570841 where: bonds (distance) C4'-P energy: -149.107 bonds (distance) P-C4' energy: -168.400 flat angles C4'-P-C4' energy: -163.468 flat angles P-C4'-P energy: -103.833 tors. eta vs tors. theta energy: -155.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2263.967384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.967384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.967384 (E_RNA) where: Base-Base interactions energy: -1534.430 where: short stacking energy: -720.511 Base-Backbone interact. energy: 3.330 local terms energy: -732.866831 where: bonds (distance) C4'-P energy: -133.981 bonds (distance) P-C4' energy: -144.166 flat angles C4'-P-C4' energy: -160.636 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -189.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1834.455592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.455592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.455592 (E_RNA) where: Base-Base interactions energy: -1198.716 where: short stacking energy: -578.526 Base-Backbone interact. energy: -0.738 local terms energy: -635.002262 where: bonds (distance) C4'-P energy: -128.087 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -118.077 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: 41 Temperature: 1.200000 Total energy: -1869.092895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.092895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.092895 (E_RNA) where: Base-Base interactions energy: -1267.749 where: short stacking energy: -552.563 Base-Backbone interact. energy: -2.979 local terms energy: -598.364768 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -132.644 flat angles P-C4'-P energy: -80.260 tors. eta vs tors. theta energy: -125.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1474.950246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.950246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.950246 (E_RNA) where: Base-Base interactions energy: -915.178 where: short stacking energy: -474.607 Base-Backbone interact. energy: -0.811 local terms energy: -558.961201 where: bonds (distance) C4'-P energy: -111.463 bonds (distance) P-C4' energy: -147.695 flat angles C4'-P-C4' energy: -142.804 flat angles P-C4'-P energy: -81.828 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: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1392.043218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.043218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.043218 (E_RNA) where: Base-Base interactions energy: -888.704 where: short stacking energy: -441.732 Base-Backbone interact. energy: -1.628 local terms energy: -501.710819 where: bonds (distance) C4'-P energy: -126.280 bonds (distance) P-C4' energy: -133.122 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -72.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -989.435920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.435920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.435920 (E_RNA) where: Base-Base interactions energy: -524.297 where: short stacking energy: -268.099 Base-Backbone interact. energy: 2.987 local terms energy: -468.126314 where: bonds (distance) C4'-P energy: -116.728 bonds (distance) P-C4' energy: -134.277 flat angles C4'-P-C4' energy: -121.435 flat angles P-C4'-P energy: -81.892 tors. eta vs tors. theta energy: -13.794 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: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2688.982752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.982752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.982752 (E_RNA) where: Base-Base interactions energy: -1886.933 where: short stacking energy: -796.941 Base-Backbone interact. energy: -3.454 local terms energy: -798.595696 where: bonds (distance) C4'-P energy: -150.531 bonds (distance) P-C4' energy: -165.984 flat angles C4'-P-C4' energy: -178.954 flat angles P-C4'-P energy: -113.300 tors. eta vs tors. theta energy: -189.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2539.445978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.445978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.445978 (E_RNA) where: Base-Base interactions energy: -1758.287 where: short stacking energy: -776.999 Base-Backbone interact. energy: -1.953 local terms energy: -779.205777 where: bonds (distance) C4'-P energy: -153.802 bonds (distance) P-C4' energy: -140.089 flat angles C4'-P-C4' energy: -172.121 flat angles P-C4'-P energy: -117.717 tors. eta vs tors. theta energy: -195.476 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: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2371.111974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.111974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.111974 (E_RNA) where: Base-Base interactions energy: -1598.651 where: short stacking energy: -733.944 Base-Backbone interact. energy: -4.072 local terms energy: -768.388853 where: bonds (distance) C4'-P energy: -138.848 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -181.512 flat angles P-C4'-P energy: -109.249 tors. eta vs tors. theta energy: -189.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2398.480485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.480485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.480485 (E_RNA) where: Base-Base interactions energy: -1678.666 where: short stacking energy: -715.899 Base-Backbone interact. energy: -1.384 local terms energy: -718.429940 where: bonds (distance) C4'-P energy: -133.153 bonds (distance) P-C4' energy: -144.197 flat angles C4'-P-C4' energy: -161.644 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -176.145 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: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2228.501640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.501640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.501640 (E_RNA) where: Base-Base interactions energy: -1530.714 where: short stacking energy: -699.098 Base-Backbone interact. energy: 1.560 local terms energy: -699.347956 where: bonds (distance) C4'-P energy: -134.695 bonds (distance) P-C4' energy: -143.139 flat angles C4'-P-C4' energy: -159.758 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -172.649 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: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1856.593132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.593132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.593132 (E_RNA) where: Base-Base interactions energy: -1239.591 where: short stacking energy: -576.769 Base-Backbone interact. energy: -0.872 local terms energy: -616.129716 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -150.556 flat angles C4'-P-C4' energy: -152.493 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -121.046 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: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1839.735469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.735469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.735469 (E_RNA) where: Base-Base interactions energy: -1219.640 where: short stacking energy: -544.182 Base-Backbone interact. energy: 1.729 local terms energy: -621.824376 where: bonds (distance) C4'-P energy: -139.229 bonds (distance) P-C4' energy: -129.193 flat angles C4'-P-C4' energy: -138.699 flat angles P-C4'-P energy: -89.412 tors. eta vs tors. theta energy: -125.292 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: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1569.943541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.943541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.943541 (E_RNA) where: Base-Base interactions energy: -991.523 where: short stacking energy: -456.946 Base-Backbone interact. energy: -3.964 local terms energy: -574.456736 where: bonds (distance) C4'-P energy: -138.689 bonds (distance) P-C4' energy: -132.444 flat angles C4'-P-C4' energy: -130.352 flat angles P-C4'-P energy: -82.774 tors. eta vs tors. theta energy: -90.198 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: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1389.993328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.993328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.993328 (E_RNA) where: Base-Base interactions energy: -885.970 where: short stacking energy: -422.471 Base-Backbone interact. energy: 4.847 local terms energy: -508.869450 where: bonds (distance) C4'-P energy: -118.141 bonds (distance) P-C4' energy: -129.847 flat angles C4'-P-C4' energy: -129.678 flat angles P-C4'-P energy: -70.529 tors. eta vs tors. theta energy: -60.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1004.930667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.930667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.930667 (E_RNA) where: Base-Base interactions energy: -561.923 where: short stacking energy: -272.019 Base-Backbone interact. energy: 9.666 local terms energy: -452.673517 where: bonds (distance) C4'-P energy: -129.776 bonds (distance) P-C4' energy: -122.504 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -28.624 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: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2703.565524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.565524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.565524 (E_RNA) where: Base-Base interactions energy: -1911.087 where: short stacking energy: -796.568 Base-Backbone interact. energy: 0.912 local terms energy: -793.390598 where: bonds (distance) C4'-P energy: -173.431 bonds (distance) P-C4' energy: -155.129 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -98.589 tors. eta vs tors. theta energy: -196.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2490.736076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.736076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.736076 (E_RNA) where: Base-Base interactions energy: -1737.031 where: short stacking energy: -762.314 Base-Backbone interact. energy: -2.723 local terms energy: -750.982668 where: bonds (distance) C4'-P energy: -139.469 bonds (distance) P-C4' energy: -154.016 flat angles C4'-P-C4' energy: -167.167 flat angles P-C4'-P energy: -110.448 tors. eta vs tors. theta energy: -179.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2359.537742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.537742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.537742 (E_RNA) where: Base-Base interactions energy: -1582.738 where: short stacking energy: -780.671 Base-Backbone interact. energy: -2.416 local terms energy: -774.384173 where: bonds (distance) C4'-P energy: -155.112 bonds (distance) P-C4' energy: -144.156 flat angles C4'-P-C4' energy: -177.418 flat angles P-C4'-P energy: -108.392 tors. eta vs tors. theta energy: -189.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2451.140364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.140364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.140364 (E_RNA) where: Base-Base interactions energy: -1702.568 where: short stacking energy: -732.108 Base-Backbone interact. energy: -1.867 local terms energy: -746.705824 where: bonds (distance) C4'-P energy: -144.765 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -171.551 flat angles P-C4'-P energy: -105.382 tors. eta vs tors. theta energy: -182.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2261.850224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.850224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.850224 (E_RNA) where: Base-Base interactions energy: -1507.716 where: short stacking energy: -665.600 Base-Backbone interact. energy: -2.842 local terms energy: -751.292567 where: bonds (distance) C4'-P energy: -140.921 bonds (distance) P-C4' energy: -147.216 flat angles C4'-P-C4' energy: -163.301 flat angles P-C4'-P energy: -110.709 tors. eta vs tors. theta energy: -189.147 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: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1954.795310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.795310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.795310 (E_RNA) where: Base-Base interactions energy: -1313.577 where: short stacking energy: -604.807 Base-Backbone interact. energy: 2.564 local terms energy: -643.782180 where: bonds (distance) C4'-P energy: -140.088 bonds (distance) P-C4' energy: -135.215 flat angles C4'-P-C4' energy: -144.171 flat angles P-C4'-P energy: -98.252 tors. eta vs tors. theta energy: -126.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1936.670375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.670375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.670375 (E_RNA) where: Base-Base interactions energy: -1300.689 where: short stacking energy: -565.150 Base-Backbone interact. energy: -1.153 local terms energy: -634.827875 where: bonds (distance) C4'-P energy: -114.618 bonds (distance) P-C4' energy: -153.300 flat angles C4'-P-C4' energy: -145.198 flat angles P-C4'-P energy: -98.505 tors. eta vs tors. theta energy: -123.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1619.006308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.006308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.006308 (E_RNA) where: Base-Base interactions energy: -1054.374 where: short stacking energy: -495.493 Base-Backbone interact. energy: -4.066 local terms energy: -560.566433 where: bonds (distance) C4'-P energy: -118.444 bonds (distance) P-C4' energy: -135.169 flat angles C4'-P-C4' energy: -132.043 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -102.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1424.696637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.696637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.696637 (E_RNA) where: Base-Base interactions energy: -912.242 where: short stacking energy: -411.724 Base-Backbone interact. energy: 1.958 local terms energy: -514.413124 where: bonds (distance) C4'-P energy: -133.065 bonds (distance) P-C4' energy: -130.221 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: -61.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1095.941122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.941122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.941122 (E_RNA) where: Base-Base interactions energy: -599.976 where: short stacking energy: -300.515 Base-Backbone interact. energy: 1.191 local terms energy: -497.156104 where: bonds (distance) C4'-P energy: -134.098 bonds (distance) P-C4' energy: -150.126 flat angles C4'-P-C4' energy: -109.843 flat angles P-C4'-P energy: -78.015 tors. eta vs tors. theta energy: -25.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2722.541820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.541820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.541820 (E_RNA) where: Base-Base interactions energy: -1918.781 where: short stacking energy: -816.177 Base-Backbone interact. energy: -3.306 local terms energy: -800.455657 where: bonds (distance) C4'-P energy: -154.360 bonds (distance) P-C4' energy: -153.012 flat angles C4'-P-C4' energy: -173.740 flat angles P-C4'-P energy: -115.899 tors. eta vs tors. theta energy: -203.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2544.151400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.151400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.151400 (E_RNA) where: Base-Base interactions energy: -1796.129 where: short stacking energy: -738.820 Base-Backbone interact. energy: -2.626 local terms energy: -745.396095 where: bonds (distance) C4'-P energy: -148.512 bonds (distance) P-C4' energy: -163.331 flat angles C4'-P-C4' energy: -163.877 flat angles P-C4'-P energy: -101.296 tors. eta vs tors. theta energy: -168.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2559.091337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.091337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.091337 (E_RNA) where: Base-Base interactions energy: -1778.754 where: short stacking energy: -786.920 Base-Backbone interact. energy: 0.159 local terms energy: -780.496262 where: bonds (distance) C4'-P energy: -160.495 bonds (distance) P-C4' energy: -146.448 flat angles C4'-P-C4' energy: -172.601 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -210.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2310.589472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.589472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.589472 (E_RNA) where: Base-Base interactions energy: -1597.413 where: short stacking energy: -748.622 Base-Backbone interact. energy: -3.192 local terms energy: -709.984286 where: bonds (distance) C4'-P energy: -123.605 bonds (distance) P-C4' energy: -141.538 flat angles C4'-P-C4' energy: -156.566 flat angles P-C4'-P energy: -101.780 tors. eta vs tors. theta energy: -186.495 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: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2239.676079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.676079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.676079 (E_RNA) where: Base-Base interactions energy: -1501.385 where: short stacking energy: -687.228 Base-Backbone interact. energy: -5.077 local terms energy: -733.214113 where: bonds (distance) C4'-P energy: -154.606 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -148.964 flat angles P-C4'-P energy: -104.018 tors. eta vs tors. theta energy: -178.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1939.139394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.139394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.139394 (E_RNA) where: Base-Base interactions energy: -1286.928 where: short stacking energy: -589.677 Base-Backbone interact. energy: -1.336 local terms energy: -650.875505 where: bonds (distance) C4'-P energy: -137.283 bonds (distance) P-C4' energy: -145.106 flat angles C4'-P-C4' energy: -145.080 flat angles P-C4'-P energy: -98.686 tors. eta vs tors. theta energy: -124.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1920.436647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.436647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.436647 (E_RNA) where: Base-Base interactions energy: -1285.466 where: short stacking energy: -562.646 Base-Backbone interact. energy: -2.286 local terms energy: -632.685024 where: bonds (distance) C4'-P energy: -125.534 bonds (distance) P-C4' energy: -137.962 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -101.523 tors. eta vs tors. theta energy: -120.442 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: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1665.579449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.579449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.579449 (E_RNA) where: Base-Base interactions energy: -1114.874 where: short stacking energy: -500.861 Base-Backbone interact. energy: 4.131 local terms energy: -554.836988 where: bonds (distance) C4'-P energy: -130.985 bonds (distance) P-C4' energy: -140.153 flat angles C4'-P-C4' energy: -118.100 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -98.518 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: 9, replica: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1490.763208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.763208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.763208 (E_RNA) where: Base-Base interactions energy: -946.960 where: short stacking energy: -458.709 Base-Backbone interact. energy: -1.479 local terms energy: -542.324076 where: bonds (distance) C4'-P energy: -110.408 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -115.774 flat angles P-C4'-P energy: -89.039 tors. eta vs tors. theta energy: -90.076 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: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1128.254077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.254077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.254077 (E_RNA) where: Base-Base interactions energy: -668.437 where: short stacking energy: -329.220 Base-Backbone interact. energy: 3.504 local terms energy: -463.320757 where: bonds (distance) C4'-P energy: -118.597 bonds (distance) P-C4' energy: -121.091 flat angles C4'-P-C4' energy: -122.487 flat angles P-C4'-P energy: -72.300 tors. eta vs tors. theta energy: -28.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2709.105497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.105497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.105497 (E_RNA) where: Base-Base interactions energy: -1924.038 where: short stacking energy: -799.971 Base-Backbone interact. energy: -3.511 local terms energy: -781.556562 where: bonds (distance) C4'-P energy: -153.973 bonds (distance) P-C4' energy: -160.348 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -110.518 tors. eta vs tors. theta energy: -191.210 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: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2585.150039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.150039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.150039 (E_RNA) where: Base-Base interactions energy: -1803.542 where: short stacking energy: -779.069 Base-Backbone interact. energy: -1.158 local terms energy: -780.449526 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -151.376 flat angles C4'-P-C4' energy: -163.125 flat angles P-C4'-P energy: -120.302 tors. eta vs tors. theta energy: -202.175 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: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2534.932854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.932854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.932854 (E_RNA) where: Base-Base interactions energy: -1791.604 where: short stacking energy: -739.399 Base-Backbone interact. energy: -4.799 local terms energy: -738.529814 where: bonds (distance) C4'-P energy: -150.597 bonds (distance) P-C4' energy: -138.144 flat angles C4'-P-C4' energy: -164.612 flat angles P-C4'-P energy: -117.192 tors. eta vs tors. theta energy: -167.985 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: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2366.175979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.175979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.175979 (E_RNA) where: Base-Base interactions energy: -1616.822 where: short stacking energy: -730.114 Base-Backbone interact. energy: 0.399 local terms energy: -749.752824 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -162.544 flat angles C4'-P-C4' energy: -165.023 flat angles P-C4'-P energy: -103.199 tors. eta vs tors. theta energy: -178.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2259.448798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.448798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.448798 (E_RNA) where: Base-Base interactions energy: -1544.849 where: short stacking energy: -694.463 Base-Backbone interact. energy: -0.126 local terms energy: -714.473546 where: bonds (distance) C4'-P energy: -137.568 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -165.819 flat angles P-C4'-P energy: -98.204 tors. eta vs tors. theta energy: -184.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1918.260327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.260327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.260327 (E_RNA) where: Base-Base interactions energy: -1255.959 where: short stacking energy: -581.894 Base-Backbone interact. energy: 1.011 local terms energy: -663.312221 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -151.870 flat angles P-C4'-P energy: -90.049 tors. eta vs tors. theta energy: -121.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1950.103688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.103688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.103688 (E_RNA) where: Base-Base interactions energy: -1268.123 where: short stacking energy: -565.238 Base-Backbone interact. energy: -0.422 local terms energy: -681.558700 where: bonds (distance) C4'-P energy: -144.632 bonds (distance) P-C4' energy: -143.523 flat angles C4'-P-C4' energy: -151.041 flat angles P-C4'-P energy: -106.544 tors. eta vs tors. theta energy: -135.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1637.962246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.962246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.962246 (E_RNA) where: Base-Base interactions energy: -1048.747 where: short stacking energy: -488.998 Base-Backbone interact. energy: 1.076 local terms energy: -590.292036 where: bonds (distance) C4'-P energy: -117.479 bonds (distance) P-C4' energy: -142.415 flat angles C4'-P-C4' energy: -147.719 flat angles P-C4'-P energy: -84.304 tors. eta vs tors. theta energy: -98.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1470.479585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.479585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.479585 (E_RNA) where: Base-Base interactions energy: -917.390 where: short stacking energy: -442.381 Base-Backbone interact. energy: -3.022 local terms energy: -550.067203 where: bonds (distance) C4'-P energy: -132.901 bonds (distance) P-C4' energy: -116.216 flat angles C4'-P-C4' energy: -120.021 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -90.909 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: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1162.524982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.524982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.524982 (E_RNA) where: Base-Base interactions energy: -678.051 where: short stacking energy: -336.914 Base-Backbone interact. energy: -3.871 local terms energy: -480.602616 where: bonds (distance) C4'-P energy: -120.531 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -122.271 flat angles P-C4'-P energy: -65.147 tors. eta vs tors. theta energy: -46.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2708.971918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.971918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.971918 (E_RNA) where: Base-Base interactions energy: -1907.642 where: short stacking energy: -798.012 Base-Backbone interact. energy: -1.834 local terms energy: -799.496052 where: bonds (distance) C4'-P energy: -148.290 bonds (distance) P-C4' energy: -174.385 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -113.003 tors. eta vs tors. theta energy: -192.499 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: 2, replica: 9 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2633.732596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.732596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.732596 (E_RNA) where: Base-Base interactions energy: -1864.696 where: short stacking energy: -815.718 Base-Backbone interact. energy: -1.622 local terms energy: -767.414554 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -170.377 flat angles P-C4'-P energy: -96.683 tors. eta vs tors. theta energy: -192.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2526.520726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.520726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.520726 (E_RNA) where: Base-Base interactions energy: -1785.628 where: short stacking energy: -744.538 Base-Backbone interact. energy: 7.495 local terms energy: -748.388192 where: bonds (distance) C4'-P energy: -148.832 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -170.877 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -178.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2356.622437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.622437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.622437 (E_RNA) where: Base-Base interactions energy: -1609.301 where: short stacking energy: -759.135 Base-Backbone interact. energy: -4.843 local terms energy: -742.478685 where: bonds (distance) C4'-P energy: -147.036 bonds (distance) P-C4' energy: -135.596 flat angles C4'-P-C4' energy: -172.605 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -186.591 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: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2244.579141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.579141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.579141 (E_RNA) where: Base-Base interactions energy: -1527.711 where: short stacking energy: -687.430 Base-Backbone interact. energy: -0.207 local terms energy: -716.661119 where: bonds (distance) C4'-P energy: -149.880 bonds (distance) P-C4' energy: -151.122 flat angles C4'-P-C4' energy: -155.151 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -175.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1949.709991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.709991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.709991 (E_RNA) where: Base-Base interactions energy: -1303.620 where: short stacking energy: -595.406 Base-Backbone interact. energy: -2.463 local terms energy: -643.627001 where: bonds (distance) C4'-P energy: -132.012 bonds (distance) P-C4' energy: -140.598 flat angles C4'-P-C4' energy: -155.522 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -133.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1989.727818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.727818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.727818 (E_RNA) where: Base-Base interactions energy: -1392.829 where: short stacking energy: -604.275 Base-Backbone interact. energy: -1.793 local terms energy: -595.105709 where: bonds (distance) C4'-P energy: -119.612 bonds (distance) P-C4' energy: -139.363 flat angles C4'-P-C4' energy: -136.316 flat angles P-C4'-P energy: -81.102 tors. eta vs tors. theta energy: -118.712 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: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1588.493418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.493418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.493418 (E_RNA) where: Base-Base interactions energy: -1014.602 where: short stacking energy: -487.071 Base-Backbone interact. energy: 0.668 local terms energy: -574.559330 where: bonds (distance) C4'-P energy: -135.565 bonds (distance) P-C4' energy: -135.105 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -96.095 tors. eta vs tors. theta energy: -82.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1546.593380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.593380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.593380 (E_RNA) where: Base-Base interactions energy: -995.345 where: short stacking energy: -486.256 Base-Backbone interact. energy: 0.986 local terms energy: -552.234573 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -129.156 flat angles C4'-P-C4' energy: -124.563 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -102.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1173.140052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.140052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.140052 (E_RNA) where: Base-Base interactions energy: -715.565 where: short stacking energy: -379.040 Base-Backbone interact. energy: -1.551 local terms energy: -456.024438 where: bonds (distance) C4'-P energy: -126.272 bonds (distance) P-C4' energy: -110.771 flat angles C4'-P-C4' energy: -119.399 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -38.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2716.810542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.810542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.810542 (E_RNA) where: Base-Base interactions energy: -1928.190 where: short stacking energy: -837.639 Base-Backbone interact. energy: -2.527 local terms energy: -786.093680 where: bonds (distance) C4'-P energy: -144.737 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -173.379 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -201.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2621.188880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.188880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.188880 (E_RNA) where: Base-Base interactions energy: -1814.035 where: short stacking energy: -800.165 Base-Backbone interact. energy: 2.154 local terms energy: -809.307536 where: bonds (distance) C4'-P energy: -152.346 bonds (distance) P-C4' energy: -164.014 flat angles C4'-P-C4' energy: -172.066 flat angles P-C4'-P energy: -115.418 tors. eta vs tors. theta energy: -205.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2490.988978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.988978 (E_RNA) where: Base-Base interactions energy: -1747.539 where: short stacking energy: -730.238 Base-Backbone interact. energy: -0.646 local terms energy: -742.804079 where: bonds (distance) C4'-P energy: -141.512 bonds (distance) P-C4' energy: -157.797 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -105.592 tors. eta vs tors. theta energy: -170.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2330.096497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.096497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.096497 (E_RNA) where: Base-Base interactions energy: -1602.426 where: short stacking energy: -724.716 Base-Backbone interact. energy: 3.352 local terms energy: -731.022645 where: bonds (distance) C4'-P energy: -111.578 bonds (distance) P-C4' energy: -157.906 flat angles C4'-P-C4' energy: -167.262 flat angles P-C4'-P energy: -113.546 tors. eta vs tors. theta energy: -180.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2267.764844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.764844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.764844 (E_RNA) where: Base-Base interactions energy: -1570.054 where: short stacking energy: -700.573 Base-Backbone interact. energy: -0.443 local terms energy: -697.268073 where: bonds (distance) C4'-P energy: -140.390 bonds (distance) P-C4' energy: -145.912 flat angles C4'-P-C4' energy: -144.669 flat angles P-C4'-P energy: -90.618 tors. eta vs tors. theta energy: -175.679 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: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2032.002124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.002124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.002124 (E_RNA) where: Base-Base interactions energy: -1376.964 where: short stacking energy: -584.796 Base-Backbone interact. energy: -0.554 local terms energy: -654.483947 where: bonds (distance) C4'-P energy: -132.796 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -149.294 flat angles P-C4'-P energy: -97.277 tors. eta vs tors. theta energy: -122.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1860.971528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.971528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.971528 (E_RNA) where: Base-Base interactions energy: -1259.734 where: short stacking energy: -555.898 Base-Backbone interact. energy: -1.610 local terms energy: -599.627465 where: bonds (distance) C4'-P energy: -132.783 bonds (distance) P-C4' energy: -135.932 flat angles C4'-P-C4' energy: -132.973 flat angles P-C4'-P energy: -91.752 tors. eta vs tors. theta energy: -106.189 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: 8, replica: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1560.185427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.185427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.185427 (E_RNA) where: Base-Base interactions energy: -1017.094 where: short stacking energy: -474.368 Base-Backbone interact. energy: 0.172 local terms energy: -543.264032 where: bonds (distance) C4'-P energy: -127.237 bonds (distance) P-C4' energy: -123.331 flat angles C4'-P-C4' energy: -143.466 flat angles P-C4'-P energy: -83.313 tors. eta vs tors. theta energy: -65.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1578.907162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.907162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.907162 (E_RNA) where: Base-Base interactions energy: -1025.977 where: short stacking energy: -476.460 Base-Backbone interact. energy: -4.956 local terms energy: -547.974263 where: bonds (distance) C4'-P energy: -132.499 bonds (distance) P-C4' energy: -129.476 flat angles C4'-P-C4' energy: -132.187 flat angles P-C4'-P energy: -60.772 tors. eta vs tors. theta energy: -93.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1082.818222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.818222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.818222 (E_RNA) where: Base-Base interactions energy: -652.684 where: short stacking energy: -356.739 Base-Backbone interact. energy: -4.661 local terms energy: -425.473444 where: bonds (distance) C4'-P energy: -126.070 bonds (distance) P-C4' energy: -108.240 flat angles C4'-P-C4' energy: -116.832 flat angles P-C4'-P energy: -56.589 tors. eta vs tors. theta energy: -17.742 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: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2745.105271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.105271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.105271 (E_RNA) where: Base-Base interactions energy: -1934.599 where: short stacking energy: -793.657 Base-Backbone interact. energy: 2.737 local terms energy: -813.242520 where: bonds (distance) C4'-P energy: -162.695 bonds (distance) P-C4' energy: -166.986 flat angles C4'-P-C4' energy: -176.432 flat angles P-C4'-P energy: -104.329 tors. eta vs tors. theta energy: -202.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2653.458442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.458442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.458442 (E_RNA) where: Base-Base interactions energy: -1857.095 where: short stacking energy: -805.456 Base-Backbone interact. energy: -4.757 local terms energy: -791.605855 where: bonds (distance) C4'-P energy: -137.769 bonds (distance) P-C4' energy: -176.491 flat angles C4'-P-C4' energy: -167.542 flat angles P-C4'-P energy: -104.792 tors. eta vs tors. theta energy: -205.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2510.097578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.097578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.097578 (E_RNA) where: Base-Base interactions energy: -1751.628 where: short stacking energy: -748.499 Base-Backbone interact. energy: -2.457 local terms energy: -756.012631 where: bonds (distance) C4'-P energy: -148.580 bonds (distance) P-C4' energy: -145.783 flat angles C4'-P-C4' energy: -160.030 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -190.272 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: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2302.785511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.785511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.785511 (E_RNA) where: Base-Base interactions energy: -1571.401 where: short stacking energy: -705.148 Base-Backbone interact. energy: -4.857 local terms energy: -726.527918 where: bonds (distance) C4'-P energy: -145.176 bonds (distance) P-C4' energy: -151.853 flat angles C4'-P-C4' energy: -145.431 flat angles P-C4'-P energy: -111.981 tors. eta vs tors. theta energy: -172.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2326.903804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.903804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.903804 (E_RNA) where: Base-Base interactions energy: -1608.575 where: short stacking energy: -724.744 Base-Backbone interact. energy: 0.122 local terms energy: -718.450733 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -155.891 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -174.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2085.612563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.612563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.612563 (E_RNA) where: Base-Base interactions energy: -1425.522 where: short stacking energy: -666.778 Base-Backbone interact. energy: -1.809 local terms energy: -658.281858 where: bonds (distance) C4'-P energy: -151.427 bonds (distance) P-C4' energy: -106.702 flat angles C4'-P-C4' energy: -156.695 flat angles P-C4'-P energy: -91.568 tors. eta vs tors. theta energy: -151.889 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: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1936.870686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.870686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.870686 (E_RNA) where: Base-Base interactions energy: -1311.006 where: short stacking energy: -580.490 Base-Backbone interact. energy: 4.136 local terms energy: -630.001361 where: bonds (distance) C4'-P energy: -126.514 bonds (distance) P-C4' energy: -143.109 flat angles C4'-P-C4' energy: -142.594 flat angles P-C4'-P energy: -81.667 tors. eta vs tors. theta energy: -136.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1567.527194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.527194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.527194 (E_RNA) where: Base-Base interactions energy: -1007.688 where: short stacking energy: -472.805 Base-Backbone interact. energy: -1.078 local terms energy: -558.760453 where: bonds (distance) C4'-P energy: -135.941 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -115.671 flat angles P-C4'-P energy: -83.826 tors. eta vs tors. theta energy: -82.450 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: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1555.742786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.742786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.742786 (E_RNA) where: Base-Base interactions energy: -1026.437 where: short stacking energy: -474.674 Base-Backbone interact. energy: -1.752 local terms energy: -527.553304 where: bonds (distance) C4'-P energy: -123.926 bonds (distance) P-C4' energy: -129.200 flat angles C4'-P-C4' energy: -113.454 flat angles P-C4'-P energy: -75.534 tors. eta vs tors. theta energy: -85.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1082.090547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.090547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.090547 (E_RNA) where: Base-Base interactions energy: -634.989 where: short stacking energy: -331.770 Base-Backbone interact. energy: -3.587 local terms energy: -443.514508 where: bonds (distance) C4'-P energy: -132.010 bonds (distance) P-C4' energy: -130.609 flat angles C4'-P-C4' energy: -112.567 flat angles P-C4'-P energy: -45.008 tors. eta vs tors. theta energy: -23.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2738.453941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.453941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.453941 (E_RNA) where: Base-Base interactions energy: -1914.867 where: short stacking energy: -814.056 Base-Backbone interact. energy: -5.515 local terms energy: -818.071924 where: bonds (distance) C4'-P energy: -152.958 bonds (distance) P-C4' energy: -166.388 flat angles C4'-P-C4' energy: -181.856 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -202.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2647.135670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.135670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.135670 (E_RNA) where: Base-Base interactions energy: -1840.185 where: short stacking energy: -792.094 Base-Backbone interact. energy: -4.251 local terms energy: -802.699490 where: bonds (distance) C4'-P energy: -161.964 bonds (distance) P-C4' energy: -141.623 flat angles C4'-P-C4' energy: -181.374 flat angles P-C4'-P energy: -108.413 tors. eta vs tors. theta energy: -209.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2502.264929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.264929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.264929 (E_RNA) where: Base-Base interactions energy: -1750.714 where: short stacking energy: -722.978 Base-Backbone interact. energy: 1.395 local terms energy: -752.946204 where: bonds (distance) C4'-P energy: -163.216 bonds (distance) P-C4' energy: -135.748 flat angles C4'-P-C4' energy: -170.652 flat angles P-C4'-P energy: -109.345 tors. eta vs tors. theta energy: -173.985 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: 8 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2449.107589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.107589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.107589 (E_RNA) where: Base-Base interactions energy: -1689.224 where: short stacking energy: -746.929 Base-Backbone interact. energy: -3.105 local terms energy: -756.778436 where: bonds (distance) C4'-P energy: -136.090 bonds (distance) P-C4' energy: -152.869 flat angles C4'-P-C4' energy: -162.901 flat angles P-C4'-P energy: -99.538 tors. eta vs tors. theta energy: -205.380 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: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2253.427804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.427804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.427804 (E_RNA) where: Base-Base interactions energy: -1517.166 where: short stacking energy: -708.459 Base-Backbone interact. energy: -1.931 local terms energy: -734.331306 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -169.062 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -183.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2143.584621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.584621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.584621 (E_RNA) where: Base-Base interactions energy: -1441.307 where: short stacking energy: -662.374 Base-Backbone interact. energy: -1.941 local terms energy: -700.337370 where: bonds (distance) C4'-P energy: -137.259 bonds (distance) P-C4' energy: -157.811 flat angles C4'-P-C4' energy: -145.221 flat angles P-C4'-P energy: -96.028 tors. eta vs tors. theta energy: -164.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1787.669379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.669379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.669379 (E_RNA) where: Base-Base interactions energy: -1177.369 where: short stacking energy: -524.013 Base-Backbone interact. energy: -3.137 local terms energy: -607.163446 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -133.406 flat angles C4'-P-C4' energy: -154.309 flat angles P-C4'-P energy: -93.639 tors. eta vs tors. theta energy: -94.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1649.288084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.288084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.288084 (E_RNA) where: Base-Base interactions energy: -1094.810 where: short stacking energy: -487.697 Base-Backbone interact. energy: -3.084 local terms energy: -551.393535 where: bonds (distance) C4'-P energy: -115.962 bonds (distance) P-C4' energy: -127.024 flat angles C4'-P-C4' energy: -153.043 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: -80.054 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: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1481.932436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.932436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.932436 (E_RNA) where: Base-Base interactions energy: -945.247 where: short stacking energy: -443.931 Base-Backbone interact. energy: -3.322 local terms energy: -533.363858 where: bonds (distance) C4'-P energy: -142.264 bonds (distance) P-C4' energy: -139.995 flat angles C4'-P-C4' energy: -117.480 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -78.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1080.954008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.954008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.954008 (E_RNA) where: Base-Base interactions energy: -616.724 where: short stacking energy: -321.729 Base-Backbone interact. energy: -4.047 local terms energy: -460.182475 where: bonds (distance) C4'-P energy: -116.265 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -123.928 flat angles P-C4'-P energy: -69.863 tors. eta vs tors. theta energy: -27.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2740.953924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.953924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.953924 (E_RNA) where: Base-Base interactions energy: -1911.887 where: short stacking energy: -804.204 Base-Backbone interact. energy: -3.272 local terms energy: -825.795342 where: bonds (distance) C4'-P energy: -155.146 bonds (distance) P-C4' energy: -180.145 flat angles C4'-P-C4' energy: -178.457 flat angles P-C4'-P energy: -109.492 tors. eta vs tors. theta energy: -202.555 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: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2677.291714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.291714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.291714 (E_RNA) where: Base-Base interactions energy: -1879.262 where: short stacking energy: -809.518 Base-Backbone interact. energy: -4.302 local terms energy: -793.727737 where: bonds (distance) C4'-P energy: -154.081 bonds (distance) P-C4' energy: -164.038 flat angles C4'-P-C4' energy: -149.892 flat angles P-C4'-P energy: -124.746 tors. eta vs tors. theta energy: -200.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2553.953091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.953091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.953091 (E_RNA) where: Base-Base interactions energy: -1798.136 where: short stacking energy: -742.238 Base-Backbone interact. energy: -3.909 local terms energy: -751.908051 where: bonds (distance) C4'-P energy: -154.243 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -165.982 flat angles P-C4'-P energy: -120.087 tors. eta vs tors. theta energy: -177.925 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: 50 Temperature: 1.050000 Total energy: -2462.114676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.114676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.114676 (E_RNA) where: Base-Base interactions energy: -1721.031 where: short stacking energy: -769.457 Base-Backbone interact. energy: -1.939 local terms energy: -739.144505 where: bonds (distance) C4'-P energy: -124.825 bonds (distance) P-C4' energy: -147.007 flat angles C4'-P-C4' energy: -161.927 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -209.340 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: 7 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2242.330294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.330294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.330294 (E_RNA) where: Base-Base interactions energy: -1551.077 where: short stacking energy: -715.990 Base-Backbone interact. energy: 2.891 local terms energy: -694.144962 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -154.061 flat angles C4'-P-C4' energy: -141.707 flat angles P-C4'-P energy: -88.774 tors. eta vs tors. theta energy: -179.532 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: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2119.863544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.863544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.863544 (E_RNA) where: Base-Base interactions energy: -1444.798 where: short stacking energy: -659.381 Base-Backbone interact. energy: 3.071 local terms energy: -678.136456 where: bonds (distance) C4'-P energy: -126.408 bonds (distance) P-C4' energy: -139.724 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -90.740 tors. eta vs tors. theta energy: -170.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1868.158751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.158751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.158751 (E_RNA) where: Base-Base interactions energy: -1259.266 where: short stacking energy: -544.929 Base-Backbone interact. energy: 1.404 local terms energy: -610.296358 where: bonds (distance) C4'-P energy: -127.546 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -149.579 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -112.569 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: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1672.134183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.134183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.134183 (E_RNA) where: Base-Base interactions energy: -1097.748 where: short stacking energy: -506.064 Base-Backbone interact. energy: -0.879 local terms energy: -573.506500 where: bonds (distance) C4'-P energy: -119.029 bonds (distance) P-C4' energy: -142.452 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -67.134 tors. eta vs tors. theta energy: -106.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1531.055145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.055145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.055145 (E_RNA) where: Base-Base interactions energy: -982.186 where: short stacking energy: -470.674 Base-Backbone interact. energy: 4.361 local terms energy: -553.230203 where: bonds (distance) C4'-P energy: -138.583 bonds (distance) P-C4' energy: -129.373 flat angles C4'-P-C4' energy: -127.253 flat angles P-C4'-P energy: -79.813 tors. eta vs tors. theta energy: -78.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -978.469374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.469374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.469374 (E_RNA) where: Base-Base interactions energy: -542.655 where: short stacking energy: -291.508 Base-Backbone interact. energy: 0.269 local terms energy: -436.082582 where: bonds (distance) C4'-P energy: -109.467 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -95.802 flat angles P-C4'-P energy: -72.492 tors. eta vs tors. theta energy: -9.315 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: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2729.266235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.266235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.266235 (E_RNA) where: Base-Base interactions energy: -1867.686 where: short stacking energy: -806.532 Base-Backbone interact. energy: -1.939 local terms energy: -859.641893 where: bonds (distance) C4'-P energy: -172.044 bonds (distance) P-C4' energy: -165.696 flat angles C4'-P-C4' energy: -181.825 flat angles P-C4'-P energy: -144.906 tors. eta vs tors. theta energy: -195.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2681.231506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.231506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.231506 (E_RNA) where: Base-Base interactions energy: -1903.014 where: short stacking energy: -806.911 Base-Backbone interact. energy: -5.542 local terms energy: -772.675139 where: bonds (distance) C4'-P energy: -134.661 bonds (distance) P-C4' energy: -150.060 flat angles C4'-P-C4' energy: -174.633 flat angles P-C4'-P energy: -106.700 tors. eta vs tors. theta energy: -206.619 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: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2506.542743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.542743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.542743 (E_RNA) where: Base-Base interactions energy: -1773.264 where: short stacking energy: -720.984 Base-Backbone interact. energy: -4.160 local terms energy: -729.118379 where: bonds (distance) C4'-P energy: -144.995 bonds (distance) P-C4' energy: -148.467 flat angles C4'-P-C4' energy: -153.367 flat angles P-C4'-P energy: -116.088 tors. eta vs tors. theta energy: -166.201 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: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2434.532203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.532203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.532203 (E_RNA) where: Base-Base interactions energy: -1657.621 where: short stacking energy: -748.745 Base-Backbone interact. energy: -0.998 local terms energy: -775.913266 where: bonds (distance) C4'-P energy: -139.831 bonds (distance) P-C4' energy: -136.799 flat angles C4'-P-C4' energy: -181.930 flat angles P-C4'-P energy: -124.704 tors. eta vs tors. theta energy: -192.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2256.556544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.556544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.556544 (E_RNA) where: Base-Base interactions energy: -1566.318 where: short stacking energy: -717.756 Base-Backbone interact. energy: 1.535 local terms energy: -691.773472 where: bonds (distance) C4'-P energy: -134.450 bonds (distance) P-C4' energy: -135.467 flat angles C4'-P-C4' energy: -154.720 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -181.447 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: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2097.096425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.096425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.096425 (E_RNA) where: Base-Base interactions energy: -1429.017 where: short stacking energy: -624.257 Base-Backbone interact. energy: 4.850 local terms energy: -672.929289 where: bonds (distance) C4'-P energy: -130.792 bonds (distance) P-C4' energy: -133.874 flat angles C4'-P-C4' energy: -156.791 flat angles P-C4'-P energy: -106.599 tors. eta vs tors. theta energy: -144.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1845.534358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.534358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.534358 (E_RNA) where: Base-Base interactions energy: -1231.279 where: short stacking energy: -568.898 Base-Backbone interact. energy: 0.435 local terms energy: -614.690096 where: bonds (distance) C4'-P energy: -132.981 bonds (distance) P-C4' energy: -136.479 flat angles C4'-P-C4' energy: -141.141 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -130.730 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: 3 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1727.789590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.789590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.789590 (E_RNA) where: Base-Base interactions energy: -1140.644 where: short stacking energy: -514.911 Base-Backbone interact. energy: -2.889 local terms energy: -584.256680 where: bonds (distance) C4'-P energy: -132.973 bonds (distance) P-C4' energy: -138.514 flat angles C4'-P-C4' energy: -144.076 flat angles P-C4'-P energy: -70.861 tors. eta vs tors. theta energy: -97.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1463.144855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.144855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.144855 (E_RNA) where: Base-Base interactions energy: -920.634 where: short stacking energy: -432.717 Base-Backbone interact. energy: 1.518 local terms energy: -544.028815 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -138.007 flat angles C4'-P-C4' energy: -108.430 flat angles P-C4'-P energy: -81.787 tors. eta vs tors. theta energy: -77.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1029.663164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.663164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.663164 (E_RNA) where: Base-Base interactions energy: -600.319 where: short stacking energy: -333.812 Base-Backbone interact. energy: 1.639 local terms energy: -430.982923 where: bonds (distance) C4'-P energy: -125.811 bonds (distance) P-C4' energy: -109.124 flat angles C4'-P-C4' energy: -123.603 flat angles P-C4'-P energy: -59.951 tors. eta vs tors. theta energy: -12.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2731.317378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.317378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.317378 (E_RNA) where: Base-Base interactions energy: -1936.980 where: short stacking energy: -843.720 Base-Backbone interact. energy: -4.511 local terms energy: -789.827282 where: bonds (distance) C4'-P energy: -145.073 bonds (distance) P-C4' energy: -160.014 flat angles C4'-P-C4' energy: -166.116 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -202.433 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: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2645.974784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.974784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.974784 (E_RNA) where: Base-Base interactions energy: -1805.937 where: short stacking energy: -805.690 Base-Backbone interact. energy: -2.812 local terms energy: -837.225961 where: bonds (distance) C4'-P energy: -167.341 bonds (distance) P-C4' energy: -171.341 flat angles C4'-P-C4' energy: -172.166 flat angles P-C4'-P energy: -124.607 tors. eta vs tors. theta energy: -201.771 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: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2513.372282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.372282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.372282 (E_RNA) where: Base-Base interactions energy: -1772.391 where: short stacking energy: -722.245 Base-Backbone interact. energy: -7.527 local terms energy: -733.453675 where: bonds (distance) C4'-P energy: -150.317 bonds (distance) P-C4' energy: -144.719 flat angles C4'-P-C4' energy: -165.308 flat angles P-C4'-P energy: -100.992 tors. eta vs tors. theta energy: -172.118 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: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2426.503381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.503381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.503381 (E_RNA) where: Base-Base interactions energy: -1686.608 where: short stacking energy: -753.878 Base-Backbone interact. energy: -0.884 local terms energy: -739.011350 where: bonds (distance) C4'-P energy: -131.220 bonds (distance) P-C4' energy: -151.014 flat angles C4'-P-C4' energy: -160.501 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -199.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2268.241363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.241363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.241363 (E_RNA) where: Base-Base interactions energy: -1537.621 where: short stacking energy: -663.542 Base-Backbone interact. energy: 0.137 local terms energy: -730.757046 where: bonds (distance) C4'-P energy: -139.284 bonds (distance) P-C4' energy: -155.164 flat angles C4'-P-C4' energy: -156.072 flat angles P-C4'-P energy: -113.211 tors. eta vs tors. theta energy: -167.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2257.801641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.801641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.801641 (E_RNA) where: Base-Base interactions energy: -1534.727 where: short stacking energy: -694.743 Base-Backbone interact. energy: -2.589 local terms energy: -720.485545 where: bonds (distance) C4'-P energy: -136.948 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -93.239 tors. eta vs tors. theta energy: -185.491 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: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1843.851233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.851233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.851233 (E_RNA) where: Base-Base interactions energy: -1209.969 where: short stacking energy: -538.260 Base-Backbone interact. energy: -3.581 local terms energy: -630.300995 where: bonds (distance) C4'-P energy: -142.328 bonds (distance) P-C4' energy: -137.679 flat angles C4'-P-C4' energy: -145.018 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: -111.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1673.591598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.591598 (E_RNA) where: Base-Base interactions energy: -1113.678 where: short stacking energy: -488.500 Base-Backbone interact. energy: -2.479 local terms energy: -557.434307 where: bonds (distance) C4'-P energy: -122.259 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -137.348 flat angles P-C4'-P energy: -74.416 tors. eta vs tors. theta energy: -93.701 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: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1400.990901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.990901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.990901 (E_RNA) where: Base-Base interactions energy: -901.796 where: short stacking energy: -426.531 Base-Backbone interact. energy: -3.529 local terms energy: -495.665990 where: bonds (distance) C4'-P energy: -115.502 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -119.113 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: -66.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1023.509368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.509368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.509368 (E_RNA) where: Base-Base interactions energy: -582.037 where: short stacking energy: -292.584 Base-Backbone interact. energy: 0.766 local terms energy: -442.238646 where: bonds (distance) C4'-P energy: -122.675 bonds (distance) P-C4' energy: -107.074 flat angles C4'-P-C4' energy: -122.409 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -22.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2728.728336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.728336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.728336 (E_RNA) where: Base-Base interactions energy: -1938.685 where: short stacking energy: -814.804 Base-Backbone interact. energy: 5.989 local terms energy: -796.032953 where: bonds (distance) C4'-P energy: -158.274 bonds (distance) P-C4' energy: -148.292 flat angles C4'-P-C4' energy: -175.084 flat angles P-C4'-P energy: -106.573 tors. eta vs tors. theta energy: -207.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2666.976965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.976965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.976965 (E_RNA) where: Base-Base interactions energy: -1863.725 where: short stacking energy: -803.961 Base-Backbone interact. energy: -4.077 local terms energy: -799.175199 where: bonds (distance) C4'-P energy: -152.720 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -176.164 flat angles P-C4'-P energy: -118.110 tors. eta vs tors. theta energy: -203.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2529.452467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.452467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.452467 (E_RNA) where: Base-Base interactions energy: -1795.345 where: short stacking energy: -746.842 Base-Backbone interact. energy: 2.246 local terms energy: -736.353047 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -138.762 flat angles C4'-P-C4' energy: -168.585 flat angles P-C4'-P energy: -104.695 tors. eta vs tors. theta energy: -178.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2466.323548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.323548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.323548 (E_RNA) where: Base-Base interactions energy: -1731.003 where: short stacking energy: -742.425 Base-Backbone interact. energy: -0.357 local terms energy: -734.964258 where: bonds (distance) C4'-P energy: -142.236 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -202.295 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: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2281.276040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.276040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.276040 (E_RNA) where: Base-Base interactions energy: -1560.428 where: short stacking energy: -717.032 Base-Backbone interact. energy: -1.256 local terms energy: -719.591272 where: bonds (distance) C4'-P energy: -145.508 bonds (distance) P-C4' energy: -141.988 flat angles C4'-P-C4' energy: -148.204 flat angles P-C4'-P energy: -96.062 tors. eta vs tors. theta energy: -187.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2242.589403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.589403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.589403 (E_RNA) where: Base-Base interactions energy: -1558.361 where: short stacking energy: -716.203 Base-Backbone interact. energy: -2.456 local terms energy: -681.771890 where: bonds (distance) C4'-P energy: -118.317 bonds (distance) P-C4' energy: -141.885 flat angles C4'-P-C4' energy: -144.624 flat angles P-C4'-P energy: -97.730 tors. eta vs tors. theta energy: -179.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1882.822037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.822037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.822037 (E_RNA) where: Base-Base interactions energy: -1284.351 where: short stacking energy: -564.596 Base-Backbone interact. energy: -1.712 local terms energy: -596.759248 where: bonds (distance) C4'-P energy: -111.238 bonds (distance) P-C4' energy: -145.059 flat angles C4'-P-C4' energy: -121.444 flat angles P-C4'-P energy: -104.564 tors. eta vs tors. theta energy: -114.455 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: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1649.531447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.531447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.531447 (E_RNA) where: Base-Base interactions energy: -1054.241 where: short stacking energy: -468.246 Base-Backbone interact. energy: -3.017 local terms energy: -592.272974 where: bonds (distance) C4'-P energy: -137.905 bonds (distance) P-C4' energy: -143.861 flat angles C4'-P-C4' energy: -145.846 flat angles P-C4'-P energy: -79.655 tors. eta vs tors. theta energy: -85.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1472.736208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.736208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.736208 (E_RNA) where: Base-Base interactions energy: -939.141 where: short stacking energy: -426.786 Base-Backbone interact. energy: 2.101 local terms energy: -535.696319 where: bonds (distance) C4'-P energy: -125.360 bonds (distance) P-C4' energy: -145.610 flat angles C4'-P-C4' energy: -127.918 flat angles P-C4'-P energy: -77.328 tors. eta vs tors. theta energy: -59.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1054.823880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.823880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.823880 (E_RNA) where: Base-Base interactions energy: -601.377 where: short stacking energy: -322.556 Base-Backbone interact. energy: -0.036 local terms energy: -453.410833 where: bonds (distance) C4'-P energy: -108.233 bonds (distance) P-C4' energy: -141.097 flat angles C4'-P-C4' energy: -122.512 flat angles P-C4'-P energy: -68.793 tors. eta vs tors. theta energy: -12.776 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: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2754.376199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.376199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.376199 (E_RNA) where: Base-Base interactions energy: -1925.028 where: short stacking energy: -814.200 Base-Backbone interact. energy: 1.632 local terms energy: -830.980989 where: bonds (distance) C4'-P energy: -152.861 bonds (distance) P-C4' energy: -182.953 flat angles C4'-P-C4' energy: -176.710 flat angles P-C4'-P energy: -112.990 tors. eta vs tors. theta energy: -205.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2618.941008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.941008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.941008 (E_RNA) where: Base-Base interactions energy: -1853.602 where: short stacking energy: -790.635 Base-Backbone interact. energy: -4.252 local terms energy: -761.086911 where: bonds (distance) C4'-P energy: -129.726 bonds (distance) P-C4' energy: -150.125 flat angles C4'-P-C4' energy: -175.334 flat angles P-C4'-P energy: -110.305 tors. eta vs tors. theta energy: -195.597 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: 54 Temperature: 1.000000 Total energy: -2516.100883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.100883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.100883 (E_RNA) where: Base-Base interactions energy: -1784.844 where: short stacking energy: -748.874 Base-Backbone interact. energy: 2.321 local terms energy: -733.577596 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -145.143 flat angles C4'-P-C4' energy: -174.563 flat angles P-C4'-P energy: -110.058 tors. eta vs tors. theta energy: -171.896 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: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2441.228835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.228835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.228835 (E_RNA) where: Base-Base interactions energy: -1681.715 where: short stacking energy: -737.088 Base-Backbone interact. energy: -0.965 local terms energy: -758.549320 where: bonds (distance) C4'-P energy: -131.821 bonds (distance) P-C4' energy: -141.042 flat angles C4'-P-C4' energy: -170.610 flat angles P-C4'-P energy: -103.445 tors. eta vs tors. theta energy: -211.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2315.574016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.574016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.574016 (E_RNA) where: Base-Base interactions energy: -1601.595 where: short stacking energy: -731.187 Base-Backbone interact. energy: -2.638 local terms energy: -711.340497 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -162.475 flat angles P-C4'-P energy: -100.175 tors. eta vs tors. theta energy: -173.591 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: 54 Temperature: 1.150000 Total energy: -2216.448209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.448209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.448209 (E_RNA) where: Base-Base interactions energy: -1550.684 where: short stacking energy: -663.111 Base-Backbone interact. energy: -3.112 local terms energy: -662.652355 where: bonds (distance) C4'-P energy: -123.735 bonds (distance) P-C4' energy: -138.609 flat angles C4'-P-C4' energy: -147.704 flat angles P-C4'-P energy: -95.668 tors. eta vs tors. theta energy: -156.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1880.261842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.261842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.261842 (E_RNA) where: Base-Base interactions energy: -1307.216 where: short stacking energy: -588.981 Base-Backbone interact. energy: -3.619 local terms energy: -569.427062 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -128.334 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1617.718701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.718701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.718701 (E_RNA) where: Base-Base interactions energy: -1017.214 where: short stacking energy: -469.223 Base-Backbone interact. energy: 1.454 local terms energy: -601.959384 where: bonds (distance) C4'-P energy: -138.832 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -134.615 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -88.711 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: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1501.212618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.212618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.212618 (E_RNA) where: Base-Base interactions energy: -966.583 where: short stacking energy: -478.689 Base-Backbone interact. energy: 6.108 local terms energy: -540.737883 where: bonds (distance) C4'-P energy: -136.619 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -75.202 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: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -948.429230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.429230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.429230 (E_RNA) where: Base-Base interactions energy: -499.097 where: short stacking energy: -262.367 Base-Backbone interact. energy: 0.154 local terms energy: -449.485905 where: bonds (distance) C4'-P energy: -133.985 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -118.951 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -10.450 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: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2789.723074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.723074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.723074 (E_RNA) where: Base-Base interactions energy: -1965.349 where: short stacking energy: -830.117 Base-Backbone interact. energy: -0.185 local terms energy: -824.188491 where: bonds (distance) C4'-P energy: -147.259 bonds (distance) P-C4' energy: -172.138 flat angles C4'-P-C4' energy: -173.762 flat angles P-C4'-P energy: -120.868 tors. eta vs tors. theta energy: -210.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2590.425707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.425707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.425707 (E_RNA) where: Base-Base interactions energy: -1810.336 where: short stacking energy: -784.073 Base-Backbone interact. energy: -0.780 local terms energy: -779.309709 where: bonds (distance) C4'-P energy: -150.150 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -179.798 flat angles P-C4'-P energy: -101.648 tors. eta vs tors. theta energy: -201.080 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: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2564.805254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.805254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.805254 (E_RNA) where: Base-Base interactions energy: -1817.685 where: short stacking energy: -726.811 Base-Backbone interact. energy: 4.827 local terms energy: -751.947080 where: bonds (distance) C4'-P energy: -156.387 bonds (distance) P-C4' energy: -153.116 flat angles C4'-P-C4' energy: -152.524 flat angles P-C4'-P energy: -102.502 tors. eta vs tors. theta energy: -187.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2483.201727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.201727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.201727 (E_RNA) where: Base-Base interactions energy: -1694.653 where: short stacking energy: -738.500 Base-Backbone interact. energy: -3.005 local terms energy: -785.543793 where: bonds (distance) C4'-P energy: -155.220 bonds (distance) P-C4' energy: -158.937 flat angles C4'-P-C4' energy: -161.667 flat angles P-C4'-P energy: -105.879 tors. eta vs tors. theta energy: -203.842 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: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2287.293178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.293178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.293178 (E_RNA) where: Base-Base interactions energy: -1580.188 where: short stacking energy: -713.674 Base-Backbone interact. energy: -2.227 local terms energy: -704.878116 where: bonds (distance) C4'-P energy: -147.509 bonds (distance) P-C4' energy: -136.049 flat angles C4'-P-C4' energy: -165.925 flat angles P-C4'-P energy: -73.398 tors. eta vs tors. theta energy: -181.997 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: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2235.579034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.579034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.579034 (E_RNA) where: Base-Base interactions energy: -1536.307 where: short stacking energy: -681.337 Base-Backbone interact. energy: -0.405 local terms energy: -698.867093 where: bonds (distance) C4'-P energy: -131.081 bonds (distance) P-C4' energy: -147.553 flat angles C4'-P-C4' energy: -162.449 flat angles P-C4'-P energy: -93.312 tors. eta vs tors. theta energy: -164.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1915.594140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.594140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.594140 (E_RNA) where: Base-Base interactions energy: -1269.002 where: short stacking energy: -578.584 Base-Backbone interact. energy: -6.475 local terms energy: -640.117838 where: bonds (distance) C4'-P energy: -109.672 bonds (distance) P-C4' energy: -155.949 flat angles C4'-P-C4' energy: -145.113 flat angles P-C4'-P energy: -91.193 tors. eta vs tors. theta energy: -138.192 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: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1703.530420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.530420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.530420 (E_RNA) where: Base-Base interactions energy: -1129.422 where: short stacking energy: -520.962 Base-Backbone interact. energy: 0.905 local terms energy: -575.013900 where: bonds (distance) C4'-P energy: -148.019 bonds (distance) P-C4' energy: -134.953 flat angles C4'-P-C4' energy: -118.617 flat angles P-C4'-P energy: -78.927 tors. eta vs tors. theta energy: -94.498 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: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1550.235214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.235214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.235214 (E_RNA) where: Base-Base interactions energy: -1018.943 where: short stacking energy: -461.922 Base-Backbone interact. energy: 1.046 local terms energy: -532.338028 where: bonds (distance) C4'-P energy: -119.007 bonds (distance) P-C4' energy: -141.784 flat angles C4'-P-C4' energy: -138.899 flat angles P-C4'-P energy: -71.609 tors. eta vs tors. theta energy: -61.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -977.179298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.179298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.179298 (E_RNA) where: Base-Base interactions energy: -510.213 where: short stacking energy: -292.710 Base-Backbone interact. energy: -2.920 local terms energy: -464.046600 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -132.440 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -81.924 tors. eta vs tors. theta energy: -24.742 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: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2783.262208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.262208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.262208 (E_RNA) where: Base-Base interactions energy: -1937.761 where: short stacking energy: -797.655 Base-Backbone interact. energy: 0.989 local terms energy: -846.490269 where: bonds (distance) C4'-P energy: -166.220 bonds (distance) P-C4' energy: -178.423 flat angles C4'-P-C4' energy: -185.431 flat angles P-C4'-P energy: -121.524 tors. eta vs tors. theta energy: -194.891 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2619.898246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.898246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.898246 (E_RNA) where: Base-Base interactions energy: -1855.367 where: short stacking energy: -801.510 Base-Backbone interact. energy: 3.139 local terms energy: -767.669947 where: bonds (distance) C4'-P energy: -141.194 bonds (distance) P-C4' energy: -161.468 flat angles C4'-P-C4' energy: -168.706 flat angles P-C4'-P energy: -102.159 tors. eta vs tors. theta energy: -194.143 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: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2535.152904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.152904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.152904 (E_RNA) where: Base-Base interactions energy: -1795.625 where: short stacking energy: -741.225 Base-Backbone interact. energy: -3.119 local terms energy: -736.408793 where: bonds (distance) C4'-P energy: -129.577 bonds (distance) P-C4' energy: -154.266 flat angles C4'-P-C4' energy: -166.305 flat angles P-C4'-P energy: -111.208 tors. eta vs tors. theta energy: -175.052 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: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2457.059283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.059283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.059283 (E_RNA) where: Base-Base interactions energy: -1727.175 where: short stacking energy: -753.689 Base-Backbone interact. energy: -0.973 local terms energy: -728.911287 where: bonds (distance) C4'-P energy: -141.603 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -164.482 flat angles P-C4'-P energy: -93.222 tors. eta vs tors. theta energy: -197.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2290.202454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.202454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.202454 (E_RNA) where: Base-Base interactions energy: -1563.549 where: short stacking energy: -694.037 Base-Backbone interact. energy: -4.221 local terms energy: -722.432150 where: bonds (distance) C4'-P energy: -131.536 bonds (distance) P-C4' energy: -158.040 flat angles C4'-P-C4' energy: -175.814 flat angles P-C4'-P energy: -97.341 tors. eta vs tors. theta energy: -159.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2247.652052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.652052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.652052 (E_RNA) where: Base-Base interactions energy: -1530.963 where: short stacking energy: -668.695 Base-Backbone interact. energy: -0.736 local terms energy: -715.952951 where: bonds (distance) C4'-P energy: -145.629 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -157.042 flat angles P-C4'-P energy: -96.957 tors. eta vs tors. theta energy: -179.349 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1942.716807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.716807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.716807 (E_RNA) where: Base-Base interactions energy: -1292.515 where: short stacking energy: -578.500 Base-Backbone interact. energy: 5.406 local terms energy: -655.607084 where: bonds (distance) C4'-P energy: -139.839 bonds (distance) P-C4' energy: -149.611 flat angles C4'-P-C4' energy: -143.496 flat angles P-C4'-P energy: -92.641 tors. eta vs tors. theta energy: -130.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1761.655491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.655491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.655491 (E_RNA) where: Base-Base interactions energy: -1176.958 where: short stacking energy: -509.264 Base-Backbone interact. energy: -1.852 local terms energy: -582.846465 where: bonds (distance) C4'-P energy: -140.211 bonds (distance) P-C4' energy: -109.806 flat angles C4'-P-C4' energy: -148.209 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -107.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1586.584170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.584170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.584170 (E_RNA) where: Base-Base interactions energy: -1048.129 where: short stacking energy: -492.918 Base-Backbone interact. energy: -1.177 local terms energy: -537.278532 where: bonds (distance) C4'-P energy: -131.698 bonds (distance) P-C4' energy: -110.265 flat angles C4'-P-C4' energy: -131.060 flat angles P-C4'-P energy: -83.872 tors. eta vs tors. theta energy: -80.385 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: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -941.188492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.188492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.188492 (E_RNA) where: Base-Base interactions energy: -489.962 where: short stacking energy: -273.190 Base-Backbone interact. energy: -1.622 local terms energy: -449.604613 where: bonds (distance) C4'-P energy: -111.290 bonds (distance) P-C4' energy: -138.953 flat angles C4'-P-C4' energy: -104.511 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -16.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2794.830534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.830534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.830534 (E_RNA) where: Base-Base interactions energy: -1986.640 where: short stacking energy: -830.333 Base-Backbone interact. energy: -3.478 local terms energy: -804.712545 where: bonds (distance) C4'-P energy: -155.607 bonds (distance) P-C4' energy: -150.026 flat angles C4'-P-C4' energy: -168.257 flat angles P-C4'-P energy: -121.218 tors. eta vs tors. theta energy: -209.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2653.352123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.352123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.352123 (E_RNA) where: Base-Base interactions energy: -1877.375 where: short stacking energy: -817.462 Base-Backbone interact. energy: -1.042 local terms energy: -774.935241 where: bonds (distance) C4'-P energy: -125.124 bonds (distance) P-C4' energy: -161.291 flat angles C4'-P-C4' energy: -168.955 flat angles P-C4'-P energy: -120.109 tors. eta vs tors. theta energy: -199.457 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: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2559.086803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.086803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.086803 (E_RNA) where: Base-Base interactions energy: -1770.545 where: short stacking energy: -761.611 Base-Backbone interact. energy: -4.018 local terms energy: -784.522938 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -166.819 flat angles C4'-P-C4' energy: -169.737 flat angles P-C4'-P energy: -122.296 tors. eta vs tors. theta energy: -180.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2449.111951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.111951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.111951 (E_RNA) where: Base-Base interactions energy: -1723.665 where: short stacking energy: -762.255 Base-Backbone interact. energy: -2.222 local terms energy: -723.225535 where: bonds (distance) C4'-P energy: -146.552 bonds (distance) P-C4' energy: -125.946 flat angles C4'-P-C4' energy: -168.093 flat angles P-C4'-P energy: -83.021 tors. eta vs tors. theta energy: -199.613 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: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2327.478197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.478197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.478197 (E_RNA) where: Base-Base interactions energy: -1594.974 where: short stacking energy: -694.647 Base-Backbone interact. energy: -0.963 local terms energy: -731.540918 where: bonds (distance) C4'-P energy: -141.048 bonds (distance) P-C4' energy: -145.135 flat angles C4'-P-C4' energy: -171.653 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -170.838 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: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2226.530630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.530630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.530630 (E_RNA) where: Base-Base interactions energy: -1569.124 where: short stacking energy: -677.071 Base-Backbone interact. energy: 0.195 local terms energy: -657.601258 where: bonds (distance) C4'-P energy: -137.744 bonds (distance) P-C4' energy: -119.344 flat angles C4'-P-C4' energy: -148.965 flat angles P-C4'-P energy: -99.745 tors. eta vs tors. theta energy: -151.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1960.310921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.310921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.310921 (E_RNA) where: Base-Base interactions energy: -1338.412 where: short stacking energy: -552.174 Base-Backbone interact. energy: 3.051 local terms energy: -624.949055 where: bonds (distance) C4'-P energy: -125.796 bonds (distance) P-C4' energy: -127.552 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -127.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1769.028853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.028853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.028853 (E_RNA) where: Base-Base interactions energy: -1162.740 where: short stacking energy: -509.897 Base-Backbone interact. energy: 2.711 local terms energy: -609.000484 where: bonds (distance) C4'-P energy: -110.459 bonds (distance) P-C4' energy: -151.770 flat angles C4'-P-C4' energy: -151.644 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: -107.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1729.857754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.857754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.857754 (E_RNA) where: Base-Base interactions energy: -1161.722 where: short stacking energy: -506.887 Base-Backbone interact. energy: 1.305 local terms energy: -569.441001 where: bonds (distance) C4'-P energy: -124.854 bonds (distance) P-C4' energy: -126.952 flat angles C4'-P-C4' energy: -128.534 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -104.116 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: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -975.007614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.007614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.007614 (E_RNA) where: Base-Base interactions energy: -545.806 where: short stacking energy: -299.072 Base-Backbone interact. energy: -0.598 local terms energy: -428.603751 where: bonds (distance) C4'-P energy: -137.454 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -105.062 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: -13.257 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: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2767.288224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.288224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.288224 (E_RNA) where: Base-Base interactions energy: -1929.675 where: short stacking energy: -827.786 Base-Backbone interact. energy: -7.128 local terms energy: -830.485484 where: bonds (distance) C4'-P energy: -163.265 bonds (distance) P-C4' energy: -173.924 flat angles C4'-P-C4' energy: -179.375 flat angles P-C4'-P energy: -99.965 tors. eta vs tors. theta energy: -213.956 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2617.295613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.295613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.295613 (E_RNA) where: Base-Base interactions energy: -1818.830 where: short stacking energy: -799.801 Base-Backbone interact. energy: -4.384 local terms energy: -794.081588 where: bonds (distance) C4'-P energy: -146.950 bonds (distance) P-C4' energy: -172.819 flat angles C4'-P-C4' energy: -174.027 flat angles P-C4'-P energy: -102.930 tors. eta vs tors. theta energy: -197.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2561.569125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.569125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.569125 (E_RNA) where: Base-Base interactions energy: -1783.541 where: short stacking energy: -789.930 Base-Backbone interact. energy: -1.882 local terms energy: -776.145307 where: bonds (distance) C4'-P energy: -150.571 bonds (distance) P-C4' energy: -155.240 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -104.318 tors. eta vs tors. theta energy: -207.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2451.031573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.031573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.031573 (E_RNA) where: Base-Base interactions energy: -1729.579 where: short stacking energy: -721.511 Base-Backbone interact. energy: -2.175 local terms energy: -719.277913 where: bonds (distance) C4'-P energy: -147.424 bonds (distance) P-C4' energy: -140.029 flat angles C4'-P-C4' energy: -144.770 flat angles P-C4'-P energy: -106.481 tors. eta vs tors. theta energy: -180.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2330.828623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.828623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.828623 (E_RNA) where: Base-Base interactions energy: -1621.559 where: short stacking energy: -710.277 Base-Backbone interact. energy: -2.867 local terms energy: -706.402429 where: bonds (distance) C4'-P energy: -138.141 bonds (distance) P-C4' energy: -149.376 flat angles C4'-P-C4' energy: -164.403 flat angles P-C4'-P energy: -93.405 tors. eta vs tors. theta energy: -161.079 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: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2228.348485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.348485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.348485 (E_RNA) where: Base-Base interactions energy: -1497.132 where: short stacking energy: -655.322 Base-Backbone interact. energy: 6.104 local terms energy: -737.320100 where: bonds (distance) C4'-P energy: -148.783 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -155.174 flat angles P-C4'-P energy: -108.420 tors. eta vs tors. theta energy: -176.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1872.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.548529 (E_RNA) where: Base-Base interactions energy: -1218.697 where: short stacking energy: -545.347 Base-Backbone interact. energy: -4.458 local terms energy: -649.393740 where: bonds (distance) C4'-P energy: -136.284 bonds (distance) P-C4' energy: -135.845 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -92.486 tors. eta vs tors. theta energy: -131.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1800.952084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.952084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.952084 (E_RNA) where: Base-Base interactions energy: -1215.096 where: short stacking energy: -518.308 Base-Backbone interact. energy: -2.255 local terms energy: -583.600507 where: bonds (distance) C4'-P energy: -128.789 bonds (distance) P-C4' energy: -142.748 flat angles C4'-P-C4' energy: -127.148 flat angles P-C4'-P energy: -92.938 tors. eta vs tors. theta energy: -91.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1645.385039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.385039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.385039 (E_RNA) where: Base-Base interactions energy: -1099.058 where: short stacking energy: -471.158 Base-Backbone interact. energy: -2.559 local terms energy: -543.768462 where: bonds (distance) C4'-P energy: -97.338 bonds (distance) P-C4' energy: -124.975 flat angles C4'-P-C4' energy: -130.745 flat angles P-C4'-P energy: -94.823 tors. eta vs tors. theta energy: -95.887 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: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -979.347323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.347323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.347323 (E_RNA) where: Base-Base interactions energy: -569.502 where: short stacking energy: -307.794 Base-Backbone interact. energy: -0.502 local terms energy: -409.343339 where: bonds (distance) C4'-P energy: -116.768 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -90.317 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -19.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2789.294580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.294580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.294580 (E_RNA) where: Base-Base interactions energy: -1952.282 where: short stacking energy: -840.976 Base-Backbone interact. energy: -4.507 local terms energy: -832.505072 where: bonds (distance) C4'-P energy: -170.541 bonds (distance) P-C4' energy: -149.649 flat angles C4'-P-C4' energy: -184.528 flat angles P-C4'-P energy: -119.195 tors. eta vs tors. theta energy: -208.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2699.997634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.997634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.997634 (E_RNA) where: Base-Base interactions energy: -1882.880 where: short stacking energy: -817.868 Base-Backbone interact. energy: -0.223 local terms energy: -816.894880 where: bonds (distance) C4'-P energy: -166.276 bonds (distance) P-C4' energy: -164.308 flat angles C4'-P-C4' energy: -174.338 flat angles P-C4'-P energy: -112.351 tors. eta vs tors. theta energy: -199.621 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2598.389563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.389563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.389563 (E_RNA) where: Base-Base interactions energy: -1840.111 where: short stacking energy: -810.637 Base-Backbone interact. energy: -1.548 local terms energy: -756.730820 where: bonds (distance) C4'-P energy: -139.725 bonds (distance) P-C4' energy: -149.100 flat angles C4'-P-C4' energy: -151.063 flat angles P-C4'-P energy: -97.032 tors. eta vs tors. theta energy: -219.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2474.744476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.744476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.744476 (E_RNA) where: Base-Base interactions energy: -1790.569 where: short stacking energy: -716.716 Base-Backbone interact. energy: 1.605 local terms energy: -685.780313 where: bonds (distance) C4'-P energy: -113.766 bonds (distance) P-C4' energy: -144.389 flat angles C4'-P-C4' energy: -156.389 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -168.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2321.841190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.841190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.841190 (E_RNA) where: Base-Base interactions energy: -1606.308 where: short stacking energy: -691.094 Base-Backbone interact. energy: -3.236 local terms energy: -712.296579 where: bonds (distance) C4'-P energy: -135.009 bonds (distance) P-C4' energy: -122.773 flat angles C4'-P-C4' energy: -183.764 flat angles P-C4'-P energy: -94.460 tors. eta vs tors. theta energy: -176.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2168.137938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.137938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.137938 (E_RNA) where: Base-Base interactions energy: -1476.909 where: short stacking energy: -670.612 Base-Backbone interact. energy: -3.824 local terms energy: -687.405003 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -130.321 flat angles C4'-P-C4' energy: -153.934 flat angles P-C4'-P energy: -101.356 tors. eta vs tors. theta energy: -167.476 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: 59 Temperature: 1.200000 Total energy: -1843.419431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.419431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.419431 (E_RNA) where: Base-Base interactions energy: -1234.017 where: short stacking energy: -558.393 Base-Backbone interact. energy: -1.081 local terms energy: -608.321075 where: bonds (distance) C4'-P energy: -136.830 bonds (distance) P-C4' energy: -118.078 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -124.995 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: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1785.076099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.076099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.076099 (E_RNA) where: Base-Base interactions energy: -1200.509 where: short stacking energy: -545.633 Base-Backbone interact. energy: -3.005 local terms energy: -581.561712 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -133.342 flat angles C4'-P-C4' energy: -140.759 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -103.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1623.769317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.769317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.769317 (E_RNA) where: Base-Base interactions energy: -1051.741 where: short stacking energy: -493.336 Base-Backbone interact. energy: -4.114 local terms energy: -567.914496 where: bonds (distance) C4'-P energy: -130.748 bonds (distance) P-C4' energy: -140.461 flat angles C4'-P-C4' energy: -125.935 flat angles P-C4'-P energy: -91.424 tors. eta vs tors. theta energy: -79.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -935.199806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.199806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.199806 (E_RNA) where: Base-Base interactions energy: -511.604 where: short stacking energy: -253.609 Base-Backbone interact. energy: 4.543 local terms energy: -428.139359 where: bonds (distance) C4'-P energy: -117.556 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -106.335 flat angles P-C4'-P energy: -74.978 tors. eta vs tors. theta energy: -2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2799.979523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.979523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.979523 (E_RNA) where: Base-Base interactions energy: -1957.385 where: short stacking energy: -818.642 Base-Backbone interact. energy: -2.713 local terms energy: -839.881557 where: bonds (distance) C4'-P energy: -161.739 bonds (distance) P-C4' energy: -161.467 flat angles C4'-P-C4' energy: -177.750 flat angles P-C4'-P energy: -121.295 tors. eta vs tors. theta energy: -217.631 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: 60 Temperature: 0.950000 Total energy: -2671.325599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.325599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.325599 (E_RNA) where: Base-Base interactions energy: -1828.893 where: short stacking energy: -797.625 Base-Backbone interact. energy: -1.126 local terms energy: -841.306019 where: bonds (distance) C4'-P energy: -166.511 bonds (distance) P-C4' energy: -172.913 flat angles C4'-P-C4' energy: -183.365 flat angles P-C4'-P energy: -122.156 tors. eta vs tors. theta energy: -196.362 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2592.354771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.354771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.354771 (E_RNA) where: Base-Base interactions energy: -1791.015 where: short stacking energy: -783.502 Base-Backbone interact. energy: -7.192 local terms energy: -794.147878 where: bonds (distance) C4'-P energy: -146.813 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -169.365 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -203.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2468.649938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.649938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.649938 (E_RNA) where: Base-Base interactions energy: -1753.629 where: short stacking energy: -715.968 Base-Backbone interact. energy: -3.293 local terms energy: -711.728117 where: bonds (distance) C4'-P energy: -134.052 bonds (distance) P-C4' energy: -145.901 flat angles C4'-P-C4' energy: -163.211 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -170.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2294.011920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.011920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.011920 (E_RNA) where: Base-Base interactions energy: -1594.403 where: short stacking energy: -679.222 Base-Backbone interact. energy: 2.376 local terms energy: -701.984860 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -145.040 flat angles C4'-P-C4' energy: -156.623 flat angles P-C4'-P energy: -95.215 tors. eta vs tors. theta energy: -170.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2100.540960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.540960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.540960 (E_RNA) where: Base-Base interactions energy: -1396.262 where: short stacking energy: -624.321 Base-Backbone interact. energy: -3.094 local terms energy: -701.184694 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -136.743 flat angles C4'-P-C4' energy: -164.376 flat angles P-C4'-P energy: -96.986 tors. eta vs tors. theta energy: -166.275 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: 7, replica: 6 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1916.511961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.511961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.511961 (E_RNA) where: Base-Base interactions energy: -1284.644 where: short stacking energy: -565.028 Base-Backbone interact. energy: 0.006 local terms energy: -631.874181 where: bonds (distance) C4'-P energy: -133.786 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -149.849 flat angles P-C4'-P energy: -90.465 tors. eta vs tors. theta energy: -124.283 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: 3 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1846.937550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.937550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.937550 (E_RNA) where: Base-Base interactions energy: -1230.505 where: short stacking energy: -515.904 Base-Backbone interact. energy: -5.421 local terms energy: -611.011298 where: bonds (distance) C4'-P energy: -139.060 bonds (distance) P-C4' energy: -140.627 flat angles C4'-P-C4' energy: -124.831 flat angles P-C4'-P energy: -97.258 tors. eta vs tors. theta energy: -109.236 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: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1619.397441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.397441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.397441 (E_RNA) where: Base-Base interactions energy: -1082.058 where: short stacking energy: -470.236 Base-Backbone interact. energy: 2.072 local terms energy: -539.411024 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -126.536 flat angles P-C4'-P energy: -95.282 tors. eta vs tors. theta energy: -67.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -943.608533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.608533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.608533 (E_RNA) where: Base-Base interactions energy: -530.477 where: short stacking energy: -304.681 Base-Backbone interact. energy: 8.045 local terms energy: -421.177068 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -116.624 flat angles C4'-P-C4' energy: -117.502 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -17.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2764.720349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.720349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.720349 (E_RNA) where: Base-Base interactions energy: -1930.788 where: short stacking energy: -823.731 Base-Backbone interact. energy: -3.833 local terms energy: -830.099437 where: bonds (distance) C4'-P energy: -156.056 bonds (distance) P-C4' energy: -167.887 flat angles C4'-P-C4' energy: -182.955 flat angles P-C4'-P energy: -102.876 tors. eta vs tors. theta energy: -220.325 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: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2709.316182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.316182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.316182 (E_RNA) where: Base-Base interactions energy: -1901.284 where: short stacking energy: -832.089 Base-Backbone interact. energy: -2.931 local terms energy: -805.101390 where: bonds (distance) C4'-P energy: -153.510 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -174.601 flat angles P-C4'-P energy: -115.694 tors. eta vs tors. theta energy: -204.480 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: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2575.729522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.729522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.729522 (E_RNA) where: Base-Base interactions energy: -1788.743 where: short stacking energy: -761.012 Base-Backbone interact. energy: -1.025 local terms energy: -785.961622 where: bonds (distance) C4'-P energy: -147.963 bonds (distance) P-C4' energy: -166.480 flat angles C4'-P-C4' energy: -168.658 flat angles P-C4'-P energy: -113.630 tors. eta vs tors. theta energy: -189.230 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: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2469.693289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.693289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.693289 (E_RNA) where: Base-Base interactions energy: -1753.940 where: short stacking energy: -721.849 Base-Backbone interact. energy: 2.601 local terms energy: -718.353733 where: bonds (distance) C4'-P energy: -122.600 bonds (distance) P-C4' energy: -153.981 flat angles C4'-P-C4' energy: -158.864 flat angles P-C4'-P energy: -117.992 tors. eta vs tors. theta energy: -164.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2330.036983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.036983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.036983 (E_RNA) where: Base-Base interactions energy: -1605.898 where: short stacking energy: -727.367 Base-Backbone interact. energy: -3.785 local terms energy: -720.354712 where: bonds (distance) C4'-P energy: -118.794 bonds (distance) P-C4' energy: -156.691 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -174.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2154.272273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.272273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.272273 (E_RNA) where: Base-Base interactions energy: -1491.414 where: short stacking energy: -652.736 Base-Backbone interact. energy: -2.144 local terms energy: -660.713688 where: bonds (distance) C4'-P energy: -110.363 bonds (distance) P-C4' energy: -121.026 flat angles C4'-P-C4' energy: -142.853 flat angles P-C4'-P energy: -109.330 tors. eta vs tors. theta energy: -177.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2004.113099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.113099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.113099 (E_RNA) where: Base-Base interactions energy: -1371.291 where: short stacking energy: -591.159 Base-Backbone interact. energy: 0.884 local terms energy: -633.706165 where: bonds (distance) C4'-P energy: -137.374 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -148.850 flat angles P-C4'-P energy: -89.480 tors. eta vs tors. theta energy: -118.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1795.403103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.403103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.403103 (E_RNA) where: Base-Base interactions energy: -1198.262 where: short stacking energy: -555.786 Base-Backbone interact. energy: 1.779 local terms energy: -598.920150 where: bonds (distance) C4'-P energy: -114.591 bonds (distance) P-C4' energy: -149.461 flat angles C4'-P-C4' energy: -133.084 flat angles P-C4'-P energy: -82.685 tors. eta vs tors. theta energy: -119.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1718.080182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.080182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.080182 (E_RNA) where: Base-Base interactions energy: -1177.459 where: short stacking energy: -547.012 Base-Backbone interact. energy: 1.979 local terms energy: -542.599569 where: bonds (distance) C4'-P energy: -91.542 bonds (distance) P-C4' energy: -133.048 flat angles C4'-P-C4' energy: -115.951 flat angles P-C4'-P energy: -92.118 tors. eta vs tors. theta energy: -109.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -946.597609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.597609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.597609 (E_RNA) where: Base-Base interactions energy: -486.490 where: short stacking energy: -266.141 Base-Backbone interact. energy: 8.029 local terms energy: -468.136990 where: bonds (distance) C4'-P energy: -130.534 bonds (distance) P-C4' energy: -144.668 flat angles C4'-P-C4' energy: -120.808 flat angles P-C4'-P energy: -61.019 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2749.525066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.525066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.525066 (E_RNA) where: Base-Base interactions energy: -1923.142 where: short stacking energy: -826.542 Base-Backbone interact. energy: 1.928 local terms energy: -828.311406 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -171.142 flat angles C4'-P-C4' energy: -174.029 flat angles P-C4'-P energy: -118.372 tors. eta vs tors. theta energy: -217.909 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: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2650.311930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.311930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.311930 (E_RNA) where: Base-Base interactions energy: -1874.083 where: short stacking energy: -794.575 Base-Backbone interact. energy: -3.268 local terms energy: -772.960992 where: bonds (distance) C4'-P energy: -137.578 bonds (distance) P-C4' energy: -157.778 flat angles C4'-P-C4' energy: -176.656 flat angles P-C4'-P energy: -93.333 tors. eta vs tors. theta energy: -207.616 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: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2578.994500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.994500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.994500 (E_RNA) where: Base-Base interactions energy: -1784.992 where: short stacking energy: -777.342 Base-Backbone interact. energy: 1.707 local terms energy: -795.709915 where: bonds (distance) C4'-P energy: -155.623 bonds (distance) P-C4' energy: -141.592 flat angles C4'-P-C4' energy: -172.310 flat angles P-C4'-P energy: -116.374 tors. eta vs tors. theta energy: -209.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2437.638242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.638242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.638242 (E_RNA) where: Base-Base interactions energy: -1711.179 where: short stacking energy: -701.630 Base-Backbone interact. energy: -3.972 local terms energy: -722.487067 where: bonds (distance) C4'-P energy: -140.633 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -147.970 flat angles P-C4'-P energy: -107.826 tors. eta vs tors. theta energy: -169.694 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2331.047101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.047101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.047101 (E_RNA) where: Base-Base interactions energy: -1613.292 where: short stacking energy: -684.506 Base-Backbone interact. energy: 0.449 local terms energy: -718.204137 where: bonds (distance) C4'-P energy: -159.516 bonds (distance) P-C4' energy: -146.950 flat angles C4'-P-C4' energy: -149.982 flat angles P-C4'-P energy: -108.376 tors. eta vs tors. theta energy: -153.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2250.146168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.146168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.146168 (E_RNA) where: Base-Base interactions energy: -1558.035 where: short stacking energy: -667.826 Base-Backbone interact. energy: -0.985 local terms energy: -691.125381 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -135.238 flat angles C4'-P-C4' energy: -146.026 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -175.479 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: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2098.490963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.490963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.490963 (E_RNA) where: Base-Base interactions energy: -1432.003 where: short stacking energy: -589.877 Base-Backbone interact. energy: -5.661 local terms energy: -660.826644 where: bonds (distance) C4'-P energy: -157.634 bonds (distance) P-C4' energy: -137.698 flat angles C4'-P-C4' energy: -135.063 flat angles P-C4'-P energy: -92.941 tors. eta vs tors. theta energy: -137.491 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: 8, replica: 3 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1794.390600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.390600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.390600 (E_RNA) where: Base-Base interactions energy: -1161.423 where: short stacking energy: -543.989 Base-Backbone interact. energy: -1.413 local terms energy: -631.555001 where: bonds (distance) C4'-P energy: -141.152 bonds (distance) P-C4' energy: -122.614 flat angles C4'-P-C4' energy: -160.970 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -115.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1686.649707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.649707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.649707 (E_RNA) where: Base-Base interactions energy: -1099.605 where: short stacking energy: -489.296 Base-Backbone interact. energy: -2.804 local terms energy: -584.241062 where: bonds (distance) C4'-P energy: -122.194 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -102.953 tors. eta vs tors. theta energy: -107.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1014.717735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.717735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.717735 (E_RNA) where: Base-Base interactions energy: -556.852 where: short stacking energy: -301.099 Base-Backbone interact. energy: 0.592 local terms energy: -458.457570 where: bonds (distance) C4'-P energy: -114.984 bonds (distance) P-C4' energy: -128.859 flat angles C4'-P-C4' energy: -116.234 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: -26.961 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: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2804.575901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.575901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.575901 (E_RNA) where: Base-Base interactions energy: -1963.498 where: short stacking energy: -839.508 Base-Backbone interact. energy: -2.637 local terms energy: -838.440960 where: bonds (distance) C4'-P energy: -158.117 bonds (distance) P-C4' energy: -164.281 flat angles C4'-P-C4' energy: -172.110 flat angles P-C4'-P energy: -117.839 tors. eta vs tors. theta energy: -226.094 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: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2674.212586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.212586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.212586 (E_RNA) where: Base-Base interactions energy: -1885.336 where: short stacking energy: -826.195 Base-Backbone interact. energy: -3.872 local terms energy: -785.004303 where: bonds (distance) C4'-P energy: -152.281 bonds (distance) P-C4' energy: -151.335 flat angles C4'-P-C4' energy: -176.900 flat angles P-C4'-P energy: -98.105 tors. eta vs tors. theta energy: -206.383 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: 63 Temperature: 1.000000 Total energy: -2536.776986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.776986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.776986 (E_RNA) where: Base-Base interactions energy: -1771.610 where: short stacking energy: -764.153 Base-Backbone interact. energy: 5.971 local terms energy: -771.137450 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -162.825 flat angles C4'-P-C4' energy: -174.980 flat angles P-C4'-P energy: -122.308 tors. eta vs tors. theta energy: -177.083 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: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2492.162162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.162162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.162162 (E_RNA) where: Base-Base interactions energy: -1792.671 where: short stacking energy: -723.289 Base-Backbone interact. energy: -2.735 local terms energy: -696.756604 where: bonds (distance) C4'-P energy: -134.546 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -164.954 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -165.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2345.510435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.510435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.510435 (E_RNA) where: Base-Base interactions energy: -1623.342 where: short stacking energy: -691.242 Base-Backbone interact. energy: -4.423 local terms energy: -717.745685 where: bonds (distance) C4'-P energy: -137.800 bonds (distance) P-C4' energy: -145.146 flat angles C4'-P-C4' energy: -167.929 flat angles P-C4'-P energy: -100.505 tors. eta vs tors. theta energy: -166.365 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: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2228.283063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.283063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.283063 (E_RNA) where: Base-Base interactions energy: -1531.231 where: short stacking energy: -686.226 Base-Backbone interact. energy: 2.178 local terms energy: -699.230329 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -159.471 flat angles P-C4'-P energy: -91.668 tors. eta vs tors. theta energy: -169.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2031.674931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.674931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.674931 (E_RNA) where: Base-Base interactions energy: -1399.809 where: short stacking energy: -599.576 Base-Backbone interact. energy: 1.655 local terms energy: -633.520372 where: bonds (distance) C4'-P energy: -109.233 bonds (distance) P-C4' energy: -123.169 flat angles C4'-P-C4' energy: -165.441 flat angles P-C4'-P energy: -99.574 tors. eta vs tors. theta energy: -136.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1864.539083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.539083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.539083 (E_RNA) where: Base-Base interactions energy: -1280.996 where: short stacking energy: -562.807 Base-Backbone interact. energy: -3.518 local terms energy: -580.025190 where: bonds (distance) C4'-P energy: -104.091 bonds (distance) P-C4' energy: -137.709 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -78.488 tors. eta vs tors. theta energy: -115.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1670.026547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.026547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.026547 (E_RNA) where: Base-Base interactions energy: -1148.355 where: short stacking energy: -531.620 Base-Backbone interact. energy: -3.479 local terms energy: -518.192581 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -135.261 flat angles P-C4'-P energy: -52.225 tors. eta vs tors. theta energy: -101.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1029.183440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.183440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.183440 (E_RNA) where: Base-Base interactions energy: -558.659 where: short stacking energy: -282.933 Base-Backbone interact. energy: 2.958 local terms energy: -473.481807 where: bonds (distance) C4'-P energy: -128.003 bonds (distance) P-C4' energy: -134.045 flat angles C4'-P-C4' energy: -120.830 flat angles P-C4'-P energy: -71.395 tors. eta vs tors. theta energy: -19.209 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2788.479865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.479865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.479865 (E_RNA) where: Base-Base interactions energy: -1953.727 where: short stacking energy: -858.854 Base-Backbone interact. energy: -1.481 local terms energy: -833.271310 where: bonds (distance) C4'-P energy: -148.970 bonds (distance) P-C4' energy: -175.882 flat angles C4'-P-C4' energy: -173.464 flat angles P-C4'-P energy: -111.765 tors. eta vs tors. theta energy: -223.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2659.209409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.209409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.209409 (E_RNA) where: Base-Base interactions energy: -1884.994 where: short stacking energy: -798.764 Base-Backbone interact. energy: -2.486 local terms energy: -771.729860 where: bonds (distance) C4'-P energy: -140.952 bonds (distance) P-C4' energy: -159.283 flat angles C4'-P-C4' energy: -161.265 flat angles P-C4'-P energy: -105.246 tors. eta vs tors. theta energy: -204.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2517.683619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.683619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.683619 (E_RNA) where: Base-Base interactions energy: -1754.004 where: short stacking energy: -754.412 Base-Backbone interact. energy: -2.535 local terms energy: -761.144539 where: bonds (distance) C4'-P energy: -144.683 bonds (distance) P-C4' energy: -161.777 flat angles C4'-P-C4' energy: -160.131 flat angles P-C4'-P energy: -108.225 tors. eta vs tors. theta energy: -186.329 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: 64 Temperature: 1.050000 Total energy: -2488.857510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.857510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.857510 (E_RNA) where: Base-Base interactions energy: -1755.352 where: short stacking energy: -734.055 Base-Backbone interact. energy: -1.795 local terms energy: -731.710415 where: bonds (distance) C4'-P energy: -156.631 bonds (distance) P-C4' energy: -157.098 flat angles C4'-P-C4' energy: -163.106 flat angles P-C4'-P energy: -87.550 tors. eta vs tors. theta energy: -167.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2362.600973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.600973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.600973 (E_RNA) where: Base-Base interactions energy: -1635.652 where: short stacking energy: -716.562 Base-Backbone interact. energy: 1.737 local terms energy: -728.685056 where: bonds (distance) C4'-P energy: -125.162 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -166.837 flat angles P-C4'-P energy: -114.219 tors. eta vs tors. theta energy: -177.068 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: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2210.458164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.458164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.458164 (E_RNA) where: Base-Base interactions energy: -1541.710 where: short stacking energy: -680.999 Base-Backbone interact. energy: -2.602 local terms energy: -666.145896 where: bonds (distance) C4'-P energy: -130.965 bonds (distance) P-C4' energy: -138.011 flat angles C4'-P-C4' energy: -144.024 flat angles P-C4'-P energy: -89.181 tors. eta vs tors. theta energy: -163.966 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: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2051.204094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.204094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.204094 (E_RNA) where: Base-Base interactions energy: -1402.819 where: short stacking energy: -617.290 Base-Backbone interact. energy: -0.656 local terms energy: -647.728895 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -140.712 flat angles C4'-P-C4' energy: -146.575 flat angles P-C4'-P energy: -101.003 tors. eta vs tors. theta energy: -136.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1983.195723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.195723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.195723 (E_RNA) where: Base-Base interactions energy: -1345.494 where: short stacking energy: -626.713 Base-Backbone interact. energy: -1.541 local terms energy: -636.161293 where: bonds (distance) C4'-P energy: -133.926 bonds (distance) P-C4' energy: -119.182 flat angles C4'-P-C4' energy: -153.997 flat angles P-C4'-P energy: -79.576 tors. eta vs tors. theta energy: -149.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1619.233129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.233129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.233129 (E_RNA) where: Base-Base interactions energy: -1092.432 where: short stacking energy: -513.942 Base-Backbone interact. energy: 1.481 local terms energy: -528.282355 where: bonds (distance) C4'-P energy: -98.680 bonds (distance) P-C4' energy: -122.913 flat angles C4'-P-C4' energy: -133.782 flat angles P-C4'-P energy: -69.332 tors. eta vs tors. theta energy: -103.576 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: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1033.190725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.190725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.190725 (E_RNA) where: Base-Base interactions energy: -574.248 where: short stacking energy: -296.931 Base-Backbone interact. energy: -0.179 local terms energy: -458.763903 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -121.384 flat angles C4'-P-C4' energy: -125.161 flat angles P-C4'-P energy: -72.341 tors. eta vs tors. theta energy: -19.791 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: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2814.703538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.703538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.703538 (E_RNA) where: Base-Base interactions energy: -1971.891 where: short stacking energy: -859.037 Base-Backbone interact. energy: 1.488 local terms energy: -844.300883 where: bonds (distance) C4'-P energy: -170.393 bonds (distance) P-C4' energy: -157.442 flat angles C4'-P-C4' energy: -174.657 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -237.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2684.167216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.167216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.167216 (E_RNA) where: Base-Base interactions energy: -1862.677 where: short stacking energy: -795.845 Base-Backbone interact. energy: -0.301 local terms energy: -821.188725 where: bonds (distance) C4'-P energy: -157.992 bonds (distance) P-C4' energy: -154.285 flat angles C4'-P-C4' energy: -190.211 flat angles P-C4'-P energy: -111.220 tors. eta vs tors. theta energy: -207.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2556.011915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.011915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.011915 (E_RNA) where: Base-Base interactions energy: -1815.416 where: short stacking energy: -762.889 Base-Backbone interact. energy: -1.704 local terms energy: -738.891597 where: bonds (distance) C4'-P energy: -130.538 bonds (distance) P-C4' energy: -154.997 flat angles C4'-P-C4' energy: -156.109 flat angles P-C4'-P energy: -109.054 tors. eta vs tors. theta energy: -188.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2473.568493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.568493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.568493 (E_RNA) where: Base-Base interactions energy: -1736.528 where: short stacking energy: -722.334 Base-Backbone interact. energy: 1.465 local terms energy: -738.505480 where: bonds (distance) C4'-P energy: -151.191 bonds (distance) P-C4' energy: -163.986 flat angles C4'-P-C4' energy: -154.848 flat angles P-C4'-P energy: -97.173 tors. eta vs tors. theta energy: -171.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2355.326493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.326493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.326493 (E_RNA) where: Base-Base interactions energy: -1656.095 where: short stacking energy: -733.021 Base-Backbone interact. energy: -3.854 local terms energy: -695.377484 where: bonds (distance) C4'-P energy: -133.905 bonds (distance) P-C4' energy: -146.643 flat angles C4'-P-C4' energy: -152.935 flat angles P-C4'-P energy: -95.610 tors. eta vs tors. theta energy: -166.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2196.183922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.183922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.183922 (E_RNA) where: Base-Base interactions energy: -1507.501 where: short stacking energy: -690.789 Base-Backbone interact. energy: -0.166 local terms energy: -688.516856 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -137.454 flat angles C4'-P-C4' energy: -151.589 flat angles P-C4'-P energy: -99.338 tors. eta vs tors. theta energy: -176.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2132.529741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.529741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.529741 (E_RNA) where: Base-Base interactions energy: -1475.527 where: short stacking energy: -656.683 Base-Backbone interact. energy: 0.919 local terms energy: -657.922522 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -147.607 flat angles P-C4'-P energy: -96.063 tors. eta vs tors. theta energy: -152.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1970.362720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.362720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.362720 (E_RNA) where: Base-Base interactions energy: -1380.732 where: short stacking energy: -572.172 Base-Backbone interact. energy: 1.992 local terms energy: -591.623003 where: bonds (distance) C4'-P energy: -124.863 bonds (distance) P-C4' energy: -126.991 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -60.508 tors. eta vs tors. theta energy: -137.982 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: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1654.507967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.507967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.507967 (E_RNA) where: Base-Base interactions energy: -1079.270 where: short stacking energy: -485.164 Base-Backbone interact. energy: -1.100 local terms energy: -574.137924 where: bonds (distance) C4'-P energy: -124.583 bonds (distance) P-C4' energy: -137.437 flat angles C4'-P-C4' energy: -145.965 flat angles P-C4'-P energy: -71.748 tors. eta vs tors. theta energy: -94.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1058.913855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.913855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.913855 (E_RNA) where: Base-Base interactions energy: -588.691 where: short stacking energy: -314.465 Base-Backbone interact. energy: 2.200 local terms energy: -472.422620 where: bonds (distance) C4'-P energy: -124.624 bonds (distance) P-C4' energy: -151.566 flat angles C4'-P-C4' energy: -107.921 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2803.381854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.381854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.381854 (E_RNA) where: Base-Base interactions energy: -1975.851 where: short stacking energy: -855.581 Base-Backbone interact. energy: 2.407 local terms energy: -829.937738 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -162.358 flat angles C4'-P-C4' energy: -178.367 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -237.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2665.666919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.666919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.666919 (E_RNA) where: Base-Base interactions energy: -1870.982 where: short stacking energy: -780.342 Base-Backbone interact. energy: -4.185 local terms energy: -790.499999 where: bonds (distance) C4'-P energy: -150.868 bonds (distance) P-C4' energy: -151.388 flat angles C4'-P-C4' energy: -162.094 flat angles P-C4'-P energy: -116.365 tors. eta vs tors. theta energy: -209.785 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: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2600.718055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.718055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.718055 (E_RNA) where: Base-Base interactions energy: -1806.472 where: short stacking energy: -785.886 Base-Backbone interact. energy: -1.466 local terms energy: -792.780309 where: bonds (distance) C4'-P energy: -155.036 bonds (distance) P-C4' energy: -167.507 flat angles C4'-P-C4' energy: -170.806 flat angles P-C4'-P energy: -101.267 tors. eta vs tors. theta energy: -198.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2483.525925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.525925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.525925 (E_RNA) where: Base-Base interactions energy: -1753.693 where: short stacking energy: -714.807 Base-Backbone interact. energy: -2.725 local terms energy: -727.107185 where: bonds (distance) C4'-P energy: -124.652 bonds (distance) P-C4' energy: -163.635 flat angles C4'-P-C4' energy: -162.571 flat angles P-C4'-P energy: -106.772 tors. eta vs tors. theta energy: -169.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2376.074829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.074829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.074829 (E_RNA) where: Base-Base interactions energy: -1673.440 where: short stacking energy: -716.925 Base-Backbone interact. energy: -2.130 local terms energy: -700.504839 where: bonds (distance) C4'-P energy: -123.796 bonds (distance) P-C4' energy: -140.938 flat angles C4'-P-C4' energy: -152.209 flat angles P-C4'-P energy: -100.204 tors. eta vs tors. theta energy: -183.357 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: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2135.185883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.185883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.185883 (E_RNA) where: Base-Base interactions energy: -1440.064 where: short stacking energy: -650.189 Base-Backbone interact. energy: -0.003 local terms energy: -695.118854 where: bonds (distance) C4'-P energy: -137.774 bonds (distance) P-C4' energy: -159.632 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -77.939 tors. eta vs tors. theta energy: -173.758 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: 66 Temperature: 1.200000 Total energy: -2076.129100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.129100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.129100 (E_RNA) where: Base-Base interactions energy: -1422.353 where: short stacking energy: -630.743 Base-Backbone interact. energy: 5.087 local terms energy: -658.862913 where: bonds (distance) C4'-P energy: -128.883 bonds (distance) P-C4' energy: -145.302 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -81.790 tors. eta vs tors. theta energy: -147.325 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: 6 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1956.718864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.718864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.718864 (E_RNA) where: Base-Base interactions energy: -1346.147 where: short stacking energy: -584.739 Base-Backbone interact. energy: -1.746 local terms energy: -608.826097 where: bonds (distance) C4'-P energy: -120.516 bonds (distance) P-C4' energy: -140.061 flat angles C4'-P-C4' energy: -145.138 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -126.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1608.752663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.752663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.752663 (E_RNA) where: Base-Base interactions energy: -1046.361 where: short stacking energy: -477.842 Base-Backbone interact. energy: 4.004 local terms energy: -566.395041 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -120.204 flat angles C4'-P-C4' energy: -126.205 flat angles P-C4'-P energy: -81.255 tors. eta vs tors. theta energy: -97.605 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: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1127.073427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.073427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.073427 (E_RNA) where: Base-Base interactions energy: -657.513 where: short stacking energy: -335.130 Base-Backbone interact. energy: -0.023 local terms energy: -469.536701 where: bonds (distance) C4'-P energy: -141.786 bonds (distance) P-C4' energy: -132.789 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -47.383 tors. eta vs tors. theta energy: -25.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2820.457367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.457367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.457367 (E_RNA) where: Base-Base interactions energy: -1989.883 where: short stacking energy: -872.644 Base-Backbone interact. energy: -3.976 local terms energy: -826.598604 where: bonds (distance) C4'-P energy: -145.422 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -243.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2684.286317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.286317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.286317 (E_RNA) where: Base-Base interactions energy: -1877.474 where: short stacking energy: -798.052 Base-Backbone interact. energy: -5.479 local terms energy: -801.333329 where: bonds (distance) C4'-P energy: -149.662 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -169.803 flat angles P-C4'-P energy: -124.327 tors. eta vs tors. theta energy: -205.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2573.908577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.908577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.908577 (E_RNA) where: Base-Base interactions energy: -1809.078 where: short stacking energy: -766.782 Base-Backbone interact. energy: -5.404 local terms energy: -759.426541 where: bonds (distance) C4'-P energy: -137.644 bonds (distance) P-C4' energy: -150.318 flat angles C4'-P-C4' energy: -167.620 flat angles P-C4'-P energy: -111.142 tors. eta vs tors. theta energy: -192.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2443.048447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.048447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.048447 (E_RNA) where: Base-Base interactions energy: -1698.092 where: short stacking energy: -703.386 Base-Backbone interact. energy: 2.322 local terms energy: -747.277629 where: bonds (distance) C4'-P energy: -144.521 bonds (distance) P-C4' energy: -160.553 flat angles C4'-P-C4' energy: -160.624 flat angles P-C4'-P energy: -99.618 tors. eta vs tors. theta energy: -181.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2385.448436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.448436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.448436 (E_RNA) where: Base-Base interactions energy: -1669.334 where: short stacking energy: -707.651 Base-Backbone interact. energy: -4.297 local terms energy: -711.817289 where: bonds (distance) C4'-P energy: -131.689 bonds (distance) P-C4' energy: -141.664 flat angles C4'-P-C4' energy: -156.409 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -180.510 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2124.559442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.559442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.559442 (E_RNA) where: Base-Base interactions energy: -1453.875 where: short stacking energy: -643.436 Base-Backbone interact. energy: 1.466 local terms energy: -672.150195 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -145.034 flat angles C4'-P-C4' energy: -146.575 flat angles P-C4'-P energy: -104.519 tors. eta vs tors. theta energy: -142.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2079.828247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.828247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.828247 (E_RNA) where: Base-Base interactions energy: -1403.306 where: short stacking energy: -623.450 Base-Backbone interact. energy: -4.495 local terms energy: -672.027337 where: bonds (distance) C4'-P energy: -139.640 bonds (distance) P-C4' energy: -134.730 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -158.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1924.317129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.317129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.317129 (E_RNA) where: Base-Base interactions energy: -1295.227 where: short stacking energy: -561.891 Base-Backbone interact. energy: 6.982 local terms energy: -636.071597 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -135.783 flat angles C4'-P-C4' energy: -155.141 flat angles P-C4'-P energy: -90.487 tors. eta vs tors. theta energy: -124.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1638.379331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.379331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.379331 (E_RNA) where: Base-Base interactions energy: -1075.941 where: short stacking energy: -511.777 Base-Backbone interact. energy: 0.593 local terms energy: -563.031686 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -129.848 flat angles C4'-P-C4' energy: -130.299 flat angles P-C4'-P energy: -89.717 tors. eta vs tors. theta energy: -104.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1165.501786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.501786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.501786 (E_RNA) where: Base-Base interactions energy: -693.837 where: short stacking energy: -340.719 Base-Backbone interact. energy: 7.812 local terms energy: -479.476736 where: bonds (distance) C4'-P energy: -126.184 bonds (distance) P-C4' energy: -118.549 flat angles C4'-P-C4' energy: -133.374 flat angles P-C4'-P energy: -72.805 tors. eta vs tors. theta energy: -28.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2791.317283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.317283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.317283 (E_RNA) where: Base-Base interactions energy: -1935.610 where: short stacking energy: -839.313 Base-Backbone interact. energy: -2.453 local terms energy: -853.254202 where: bonds (distance) C4'-P energy: -162.927 bonds (distance) P-C4' energy: -170.148 flat angles C4'-P-C4' energy: -184.242 flat angles P-C4'-P energy: -117.711 tors. eta vs tors. theta energy: -218.226 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: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2678.214519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.214519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.214519 (E_RNA) where: Base-Base interactions energy: -1867.040 where: short stacking energy: -795.082 Base-Backbone interact. energy: -1.708 local terms energy: -809.466258 where: bonds (distance) C4'-P energy: -161.631 bonds (distance) P-C4' energy: -157.328 flat angles C4'-P-C4' energy: -178.459 flat angles P-C4'-P energy: -106.696 tors. eta vs tors. theta energy: -205.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2598.501271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.501271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.501271 (E_RNA) where: Base-Base interactions energy: -1821.233 where: short stacking energy: -781.539 Base-Backbone interact. energy: 1.599 local terms energy: -778.866796 where: bonds (distance) C4'-P energy: -146.625 bonds (distance) P-C4' energy: -144.762 flat angles C4'-P-C4' energy: -172.161 flat angles P-C4'-P energy: -114.577 tors. eta vs tors. theta energy: -200.742 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2455.781142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.781142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.781142 (E_RNA) where: Base-Base interactions energy: -1723.113 where: short stacking energy: -719.298 Base-Backbone interact. energy: 1.899 local terms energy: -734.567743 where: bonds (distance) C4'-P energy: -147.216 bonds (distance) P-C4' energy: -163.599 flat angles C4'-P-C4' energy: -151.160 flat angles P-C4'-P energy: -91.242 tors. eta vs tors. theta energy: -181.351 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: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2439.841009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.841009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.841009 (E_RNA) where: Base-Base interactions energy: -1696.367 where: short stacking energy: -723.248 Base-Backbone interact. energy: -3.441 local terms energy: -740.033174 where: bonds (distance) C4'-P energy: -141.224 bonds (distance) P-C4' energy: -166.327 flat angles C4'-P-C4' energy: -152.520 flat angles P-C4'-P energy: -98.869 tors. eta vs tors. theta energy: -181.093 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: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2200.975851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.975851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.975851 (E_RNA) where: Base-Base interactions energy: -1520.473 where: short stacking energy: -679.536 Base-Backbone interact. energy: -1.663 local terms energy: -678.839981 where: bonds (distance) C4'-P energy: -109.884 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -159.627 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -172.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2088.982558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.982558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.982558 (E_RNA) where: Base-Base interactions energy: -1447.722 where: short stacking energy: -621.471 Base-Backbone interact. energy: 0.722 local terms energy: -641.982345 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -132.568 flat angles C4'-P-C4' energy: -158.305 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -146.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1807.001287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.001287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.001287 (E_RNA) where: Base-Base interactions energy: -1223.945 where: short stacking energy: -550.176 Base-Backbone interact. energy: 0.380 local terms energy: -583.436715 where: bonds (distance) C4'-P energy: -115.033 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -131.400 flat angles P-C4'-P energy: -103.142 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: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1625.349018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.349018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.349018 (E_RNA) where: Base-Base interactions energy: -1049.386 where: short stacking energy: -492.644 Base-Backbone interact. energy: 2.255 local terms energy: -578.218121 where: bonds (distance) C4'-P energy: -138.766 bonds (distance) P-C4' energy: -137.388 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -85.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1179.443418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.443418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.443418 (E_RNA) where: Base-Base interactions energy: -693.292 where: short stacking energy: -314.929 Base-Backbone interact. energy: 1.936 local terms energy: -488.086912 where: bonds (distance) C4'-P energy: -135.756 bonds (distance) P-C4' energy: -136.789 flat angles C4'-P-C4' energy: -117.338 flat angles P-C4'-P energy: -68.650 tors. eta vs tors. theta energy: -29.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2846.658718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.658718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.658718 (E_RNA) where: Base-Base interactions energy: -1992.915 where: short stacking energy: -849.155 Base-Backbone interact. energy: -2.753 local terms energy: -850.990713 where: bonds (distance) C4'-P energy: -168.685 bonds (distance) P-C4' energy: -162.647 flat angles C4'-P-C4' energy: -186.749 flat angles P-C4'-P energy: -110.120 tors. eta vs tors. theta energy: -222.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2677.644457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.644457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.644457 (E_RNA) where: Base-Base interactions energy: -1893.669 where: short stacking energy: -807.876 Base-Backbone interact. energy: -5.044 local terms energy: -778.931320 where: bonds (distance) C4'-P energy: -151.648 bonds (distance) P-C4' energy: -118.614 flat angles C4'-P-C4' energy: -180.162 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -217.221 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: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2554.919544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.919544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.919544 (E_RNA) where: Base-Base interactions energy: -1824.030 where: short stacking energy: -767.329 Base-Backbone interact. energy: 3.012 local terms energy: -733.901182 where: bonds (distance) C4'-P energy: -149.492 bonds (distance) P-C4' energy: -141.753 flat angles C4'-P-C4' energy: -162.979 flat angles P-C4'-P energy: -88.355 tors. eta vs tors. theta energy: -191.322 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: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2494.273856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.273856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.273856 (E_RNA) where: Base-Base interactions energy: -1718.451 where: short stacking energy: -780.597 Base-Backbone interact. energy: -4.593 local terms energy: -771.229809 where: bonds (distance) C4'-P energy: -148.813 bonds (distance) P-C4' energy: -147.479 flat angles C4'-P-C4' energy: -162.073 flat angles P-C4'-P energy: -107.596 tors. eta vs tors. theta energy: -205.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2389.255494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.255494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.255494 (E_RNA) where: Base-Base interactions energy: -1712.581 where: short stacking energy: -705.719 Base-Backbone interact. energy: -1.204 local terms energy: -675.470362 where: bonds (distance) C4'-P energy: -109.851 bonds (distance) P-C4' energy: -146.530 flat angles C4'-P-C4' energy: -160.516 flat angles P-C4'-P energy: -95.159 tors. eta vs tors. theta energy: -163.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2201.917995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.917995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.917995 (E_RNA) where: Base-Base interactions energy: -1522.828 where: short stacking energy: -688.762 Base-Backbone interact. energy: -4.384 local terms energy: -674.706248 where: bonds (distance) C4'-P energy: -119.623 bonds (distance) P-C4' energy: -125.882 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -98.308 tors. eta vs tors. theta energy: -187.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -2087.886050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.886050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.886050 (E_RNA) where: Base-Base interactions energy: -1438.630 where: short stacking energy: -658.823 Base-Backbone interact. energy: 4.617 local terms energy: -653.872656 where: bonds (distance) C4'-P energy: -125.952 bonds (distance) P-C4' energy: -137.233 flat angles C4'-P-C4' energy: -135.806 flat angles P-C4'-P energy: -103.774 tors. eta vs tors. theta energy: -151.107 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: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1769.093670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.093670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.093670 (E_RNA) where: Base-Base interactions energy: -1204.314 where: short stacking energy: -539.232 Base-Backbone interact. energy: -1.505 local terms energy: -563.274377 where: bonds (distance) C4'-P energy: -116.883 bonds (distance) P-C4' energy: -121.822 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -69.632 tors. eta vs tors. theta energy: -111.827 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: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1628.126866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.126866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.126866 (E_RNA) where: Base-Base interactions energy: -1080.816 where: short stacking energy: -479.892 Base-Backbone interact. energy: -3.405 local terms energy: -543.905714 where: bonds (distance) C4'-P energy: -125.405 bonds (distance) P-C4' energy: -120.110 flat angles C4'-P-C4' energy: -139.619 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -90.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1158.674946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.674946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.674946 (E_RNA) where: Base-Base interactions energy: -670.561 where: short stacking energy: -367.623 Base-Backbone interact. energy: -2.247 local terms energy: -485.866568 where: bonds (distance) C4'-P energy: -115.271 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -124.508 flat angles P-C4'-P energy: -89.855 tors. eta vs tors. theta energy: -43.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2822.097008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.097008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.097008 (E_RNA) where: Base-Base interactions energy: -1983.632 where: short stacking energy: -857.597 Base-Backbone interact. energy: -4.634 local terms energy: -833.831314 where: bonds (distance) C4'-P energy: -152.878 bonds (distance) P-C4' energy: -151.573 flat angles C4'-P-C4' energy: -178.143 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -231.343 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: 9 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2658.489776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.489776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.489776 (E_RNA) where: Base-Base interactions energy: -1861.679 where: short stacking energy: -796.705 Base-Backbone interact. energy: -6.334 local terms energy: -790.477245 where: bonds (distance) C4'-P energy: -149.801 bonds (distance) P-C4' energy: -150.930 flat angles C4'-P-C4' energy: -173.115 flat angles P-C4'-P energy: -114.492 tors. eta vs tors. theta energy: -202.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2576.279544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.279544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.279544 (E_RNA) where: Base-Base interactions energy: -1788.040 where: short stacking energy: -765.265 Base-Backbone interact. energy: 0.256 local terms energy: -788.495131 where: bonds (distance) C4'-P energy: -140.276 bonds (distance) P-C4' energy: -165.590 flat angles C4'-P-C4' energy: -162.535 flat angles P-C4'-P energy: -113.624 tors. eta vs tors. theta energy: -206.470 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: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2466.398990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.398990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.398990 (E_RNA) where: Base-Base interactions energy: -1738.394 where: short stacking energy: -743.141 Base-Backbone interact. energy: -1.806 local terms energy: -726.199378 where: bonds (distance) C4'-P energy: -123.817 bonds (distance) P-C4' energy: -147.912 flat angles C4'-P-C4' energy: -163.475 flat angles P-C4'-P energy: -98.136 tors. eta vs tors. theta energy: -192.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2433.561972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.561972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.561972 (E_RNA) where: Base-Base interactions energy: -1698.748 where: short stacking energy: -700.447 Base-Backbone interact. energy: -5.399 local terms energy: -729.414789 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -161.644 flat angles C4'-P-C4' energy: -156.427 flat angles P-C4'-P energy: -97.723 tors. eta vs tors. theta energy: -179.712 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2143.093319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.093319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.093319 (E_RNA) where: Base-Base interactions energy: -1461.088 where: short stacking energy: -646.813 Base-Backbone interact. energy: -2.935 local terms energy: -679.070336 where: bonds (distance) C4'-P energy: -116.430 bonds (distance) P-C4' energy: -129.675 flat angles C4'-P-C4' energy: -160.883 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -171.320 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: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -2044.541348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.541348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.541348 (E_RNA) where: Base-Base interactions energy: -1388.468 where: short stacking energy: -600.677 Base-Backbone interact. energy: -0.432 local terms energy: -655.641021 where: bonds (distance) C4'-P energy: -138.671 bonds (distance) P-C4' energy: -137.604 flat angles C4'-P-C4' energy: -150.256 flat angles P-C4'-P energy: -101.180 tors. eta vs tors. theta energy: -127.930 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: 70 Temperature: 1.250000 Total energy: -1832.202020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.202020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.202020 (E_RNA) where: Base-Base interactions energy: -1249.865 where: short stacking energy: -510.696 Base-Backbone interact. energy: 1.190 local terms energy: -583.526911 where: bonds (distance) C4'-P energy: -139.159 bonds (distance) P-C4' energy: -130.145 flat angles C4'-P-C4' energy: -120.060 flat angles P-C4'-P energy: -76.572 tors. eta vs tors. theta energy: -117.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1596.630473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.630473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.630473 (E_RNA) where: Base-Base interactions energy: -1012.202 where: short stacking energy: -485.991 Base-Backbone interact. energy: -0.767 local terms energy: -583.661363 where: bonds (distance) C4'-P energy: -135.205 bonds (distance) P-C4' energy: -115.302 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -89.922 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: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1132.399334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.399334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.399334 (E_RNA) where: Base-Base interactions energy: -675.103 where: short stacking energy: -338.638 Base-Backbone interact. energy: -3.345 local terms energy: -453.951223 where: bonds (distance) C4'-P energy: -123.260 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -74.436 tors. eta vs tors. theta energy: -26.938 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: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2847.768177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.768177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.768177 (E_RNA) where: Base-Base interactions energy: -1974.362 where: short stacking energy: -840.721 Base-Backbone interact. energy: -3.309 local terms energy: -870.097041 where: bonds (distance) C4'-P energy: -150.289 bonds (distance) P-C4' energy: -164.374 flat angles C4'-P-C4' energy: -187.641 flat angles P-C4'-P energy: -133.924 tors. eta vs tors. theta energy: -233.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2677.358873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.358873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.358873 (E_RNA) where: Base-Base interactions energy: -1894.233 where: short stacking energy: -823.536 Base-Backbone interact. energy: 0.568 local terms energy: -783.694019 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -146.284 flat angles C4'-P-C4' energy: -165.677 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -213.920 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: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2575.863399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.863399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.863399 (E_RNA) where: Base-Base interactions energy: -1797.560 where: short stacking energy: -765.939 Base-Backbone interact. energy: 0.268 local terms energy: -778.571442 where: bonds (distance) C4'-P energy: -135.173 bonds (distance) P-C4' energy: -162.354 flat angles C4'-P-C4' energy: -177.482 flat angles P-C4'-P energy: -106.602 tors. eta vs tors. theta energy: -196.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2438.636801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.636801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.636801 (E_RNA) where: Base-Base interactions energy: -1715.860 where: short stacking energy: -705.861 Base-Backbone interact. energy: -1.375 local terms energy: -721.401740 where: bonds (distance) C4'-P energy: -148.392 bonds (distance) P-C4' energy: -139.771 flat angles C4'-P-C4' energy: -174.460 flat angles P-C4'-P energy: -86.106 tors. eta vs tors. theta energy: -172.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2405.138439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.138439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.138439 (E_RNA) where: Base-Base interactions energy: -1652.269 where: short stacking energy: -726.339 Base-Backbone interact. energy: -2.573 local terms energy: -750.296768 where: bonds (distance) C4'-P energy: -145.285 bonds (distance) P-C4' energy: -153.555 flat angles C4'-P-C4' energy: -164.714 flat angles P-C4'-P energy: -102.539 tors. eta vs tors. theta energy: -184.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2146.130042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.130042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.130042 (E_RNA) where: Base-Base interactions energy: -1443.745 where: short stacking energy: -672.156 Base-Backbone interact. energy: -1.326 local terms energy: -701.059148 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -143.169 flat angles C4'-P-C4' energy: -155.580 flat angles P-C4'-P energy: -91.455 tors. eta vs tors. theta energy: -164.275 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: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2050.283136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.283136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.283136 (E_RNA) where: Base-Base interactions energy: -1396.185 where: short stacking energy: -616.635 Base-Backbone interact. energy: -2.915 local terms energy: -651.183224 where: bonds (distance) C4'-P energy: -138.506 bonds (distance) P-C4' energy: -152.243 flat angles C4'-P-C4' energy: -126.662 flat angles P-C4'-P energy: -90.928 tors. eta vs tors. theta energy: -142.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1911.820653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.820653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.820653 (E_RNA) where: Base-Base interactions energy: -1299.033 where: short stacking energy: -552.900 Base-Backbone interact. energy: -5.092 local terms energy: -607.696182 where: bonds (distance) C4'-P energy: -120.122 bonds (distance) P-C4' energy: -145.551 flat angles C4'-P-C4' energy: -142.634 flat angles P-C4'-P energy: -89.187 tors. eta vs tors. theta energy: -110.203 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: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1654.217120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.217120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.217120 (E_RNA) where: Base-Base interactions energy: -1117.184 where: short stacking energy: -513.523 Base-Backbone interact. energy: -2.476 local terms energy: -534.557013 where: bonds (distance) C4'-P energy: -128.206 bonds (distance) P-C4' energy: -137.517 flat angles C4'-P-C4' energy: -131.364 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: -87.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1127.384051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.384051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.384051 (E_RNA) where: Base-Base interactions energy: -652.322 where: short stacking energy: -342.832 Base-Backbone interact. energy: -1.608 local terms energy: -473.453773 where: bonds (distance) C4'-P energy: -126.612 bonds (distance) P-C4' energy: -143.245 flat angles C4'-P-C4' energy: -121.876 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: -34.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2838.305194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.305194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.305194 (E_RNA) where: Base-Base interactions energy: -2001.634 where: short stacking energy: -852.009 Base-Backbone interact. energy: -2.167 local terms energy: -834.504668 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -149.349 flat angles C4'-P-C4' energy: -183.921 flat angles P-C4'-P energy: -110.334 tors. eta vs tors. theta energy: -233.753 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: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2668.079782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.079782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.079782 (E_RNA) where: Base-Base interactions energy: -1861.350 where: short stacking energy: -809.629 Base-Backbone interact. energy: -3.984 local terms energy: -802.745754 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -158.146 flat angles C4'-P-C4' energy: -170.863 flat angles P-C4'-P energy: -121.413 tors. eta vs tors. theta energy: -212.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2571.862274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.862274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.862274 (E_RNA) where: Base-Base interactions energy: -1801.097 where: short stacking energy: -753.510 Base-Backbone interact. energy: -0.124 local terms energy: -770.641032 where: bonds (distance) C4'-P energy: -141.631 bonds (distance) P-C4' energy: -162.576 flat angles C4'-P-C4' energy: -164.898 flat angles P-C4'-P energy: -112.492 tors. eta vs tors. theta energy: -189.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2453.941401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.941401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.941401 (E_RNA) where: Base-Base interactions energy: -1715.219 where: short stacking energy: -693.770 Base-Backbone interact. energy: -1.743 local terms energy: -736.978896 where: bonds (distance) C4'-P energy: -145.395 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -164.761 flat angles P-C4'-P energy: -112.586 tors. eta vs tors. theta energy: -160.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2372.147260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.147260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.147260 (E_RNA) where: Base-Base interactions energy: -1649.043 where: short stacking energy: -701.535 Base-Backbone interact. energy: -3.578 local terms energy: -719.525707 where: bonds (distance) C4'-P energy: -138.165 bonds (distance) P-C4' energy: -146.334 flat angles C4'-P-C4' energy: -159.892 flat angles P-C4'-P energy: -114.133 tors. eta vs tors. theta energy: -161.001 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: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2155.318333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.318333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.318333 (E_RNA) where: Base-Base interactions energy: -1473.090 where: short stacking energy: -670.666 Base-Backbone interact. energy: -2.262 local terms energy: -679.966773 where: bonds (distance) C4'-P energy: -107.377 bonds (distance) P-C4' energy: -152.170 flat angles C4'-P-C4' energy: -145.120 flat angles P-C4'-P energy: -98.573 tors. eta vs tors. theta energy: -176.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -2070.358209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.358209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.358209 (E_RNA) where: Base-Base interactions energy: -1455.202 where: short stacking energy: -617.585 Base-Backbone interact. energy: -2.427 local terms energy: -612.729199 where: bonds (distance) C4'-P energy: -128.524 bonds (distance) P-C4' energy: -122.972 flat angles C4'-P-C4' energy: -151.897 flat angles P-C4'-P energy: -72.890 tors. eta vs tors. theta energy: -136.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1922.240269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.240269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.240269 (E_RNA) where: Base-Base interactions energy: -1343.589 where: short stacking energy: -555.500 Base-Backbone interact. energy: 2.229 local terms energy: -580.880907 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -128.447 flat angles C4'-P-C4' energy: -142.981 flat angles P-C4'-P energy: -61.946 tors. eta vs tors. theta energy: -120.909 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: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1721.385729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.385729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.385729 (E_RNA) where: Base-Base interactions energy: -1106.635 where: short stacking energy: -521.753 Base-Backbone interact. energy: -3.703 local terms energy: -611.048172 where: bonds (distance) C4'-P energy: -129.789 bonds (distance) P-C4' energy: -144.331 flat angles C4'-P-C4' energy: -126.648 flat angles P-C4'-P energy: -84.442 tors. eta vs tors. theta energy: -125.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1174.916169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.916169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.916169 (E_RNA) where: Base-Base interactions energy: -691.437 where: short stacking energy: -336.829 Base-Backbone interact. energy: -0.162 local terms energy: -483.316982 where: bonds (distance) C4'-P energy: -131.385 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -125.230 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -28.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2841.804703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.804703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.804703 (E_RNA) where: Base-Base interactions energy: -2015.892 where: short stacking energy: -866.013 Base-Backbone interact. energy: -4.458 local terms energy: -821.454802 where: bonds (distance) C4'-P energy: -157.960 bonds (distance) P-C4' energy: -145.005 flat angles C4'-P-C4' energy: -166.467 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -242.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2651.727514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.727514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.727514 (E_RNA) where: Base-Base interactions energy: -1851.950 where: short stacking energy: -780.471 Base-Backbone interact. energy: -3.246 local terms energy: -796.531340 where: bonds (distance) C4'-P energy: -156.518 bonds (distance) P-C4' energy: -148.827 flat angles C4'-P-C4' energy: -173.166 flat angles P-C4'-P energy: -120.484 tors. eta vs tors. theta energy: -197.536 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2548.460121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.460121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.460121 (E_RNA) where: Base-Base interactions energy: -1769.934 where: short stacking energy: -742.377 Base-Backbone interact. energy: 0.519 local terms energy: -779.045093 where: bonds (distance) C4'-P energy: -151.349 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -168.283 flat angles P-C4'-P energy: -116.441 tors. eta vs tors. theta energy: -186.508 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: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2472.322902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.322902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.322902 (E_RNA) where: Base-Base interactions energy: -1721.162 where: short stacking energy: -733.636 Base-Backbone interact. energy: -3.085 local terms energy: -748.076181 where: bonds (distance) C4'-P energy: -142.684 bonds (distance) P-C4' energy: -146.920 flat angles C4'-P-C4' energy: -162.695 flat angles P-C4'-P energy: -113.304 tors. eta vs tors. theta energy: -182.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2347.975420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.975420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.975420 (E_RNA) where: Base-Base interactions energy: -1650.945 where: short stacking energy: -689.198 Base-Backbone interact. energy: 0.327 local terms energy: -697.357524 where: bonds (distance) C4'-P energy: -131.015 bonds (distance) P-C4' energy: -143.988 flat angles C4'-P-C4' energy: -155.945 flat angles P-C4'-P energy: -100.177 tors. eta vs tors. theta energy: -166.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2217.071117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.071117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.071117 (E_RNA) where: Base-Base interactions energy: -1524.474 where: short stacking energy: -659.927 Base-Backbone interact. energy: -2.289 local terms energy: -690.308313 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -127.660 flat angles C4'-P-C4' energy: -160.971 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -165.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2038.808775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.808775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.808775 (E_RNA) where: Base-Base interactions energy: -1377.809 where: short stacking energy: -634.564 Base-Backbone interact. energy: -0.674 local terms energy: -660.326280 where: bonds (distance) C4'-P energy: -113.604 bonds (distance) P-C4' energy: -155.865 flat angles C4'-P-C4' energy: -154.787 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -162.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -2012.342676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.342676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.342676 (E_RNA) where: Base-Base interactions energy: -1418.348 where: short stacking energy: -590.139 Base-Backbone interact. energy: -1.071 local terms energy: -592.923623 where: bonds (distance) C4'-P energy: -139.313 bonds (distance) P-C4' energy: -111.975 flat angles C4'-P-C4' energy: -130.093 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -134.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1728.297363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.297363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.297363 (E_RNA) where: Base-Base interactions energy: -1168.332 where: short stacking energy: -520.165 Base-Backbone interact. energy: -4.949 local terms energy: -555.016271 where: bonds (distance) C4'-P energy: -106.833 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -123.290 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -108.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1124.481679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.481679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.481679 (E_RNA) where: Base-Base interactions energy: -672.074 where: short stacking energy: -317.344 Base-Backbone interact. energy: -2.761 local terms energy: -449.646073 where: bonds (distance) C4'-P energy: -121.476 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -115.824 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -21.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2823.065321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.065321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.065321 (E_RNA) where: Base-Base interactions energy: -1981.621 where: short stacking energy: -871.383 Base-Backbone interact. energy: 4.773 local terms energy: -846.217400 where: bonds (distance) C4'-P energy: -161.723 bonds (distance) P-C4' energy: -163.480 flat angles C4'-P-C4' energy: -181.095 flat angles P-C4'-P energy: -111.338 tors. eta vs tors. theta energy: -228.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2669.140354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.140354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.140354 (E_RNA) where: Base-Base interactions energy: -1889.842 where: short stacking energy: -798.853 Base-Backbone interact. energy: 0.300 local terms energy: -779.597918 where: bonds (distance) C4'-P energy: -150.770 bonds (distance) P-C4' energy: -148.069 flat angles C4'-P-C4' energy: -159.563 flat angles P-C4'-P energy: -113.078 tors. eta vs tors. theta energy: -208.118 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2571.880501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.880501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.880501 (E_RNA) where: Base-Base interactions energy: -1822.442 where: short stacking energy: -791.976 Base-Backbone interact. energy: -2.303 local terms energy: -747.136251 where: bonds (distance) C4'-P energy: -149.772 bonds (distance) P-C4' energy: -141.514 flat angles C4'-P-C4' energy: -172.293 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -200.763 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: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2585.991901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.991901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.991901 (E_RNA) where: Base-Base interactions energy: -1797.664 where: short stacking energy: -769.245 Base-Backbone interact. energy: -6.554 local terms energy: -781.773056 where: bonds (distance) C4'-P energy: -139.077 bonds (distance) P-C4' energy: -162.139 flat angles C4'-P-C4' energy: -169.887 flat angles P-C4'-P energy: -121.105 tors. eta vs tors. theta energy: -189.565 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: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2343.208351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.208351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.208351 (E_RNA) where: Base-Base interactions energy: -1631.530 where: short stacking energy: -711.949 Base-Backbone interact. energy: -2.927 local terms energy: -708.750796 where: bonds (distance) C4'-P energy: -134.600 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -170.836 flat angles P-C4'-P energy: -77.312 tors. eta vs tors. theta energy: -180.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2232.562409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.562409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.562409 (E_RNA) where: Base-Base interactions energy: -1502.237 where: short stacking energy: -676.872 Base-Backbone interact. energy: 2.493 local terms energy: -732.818568 where: bonds (distance) C4'-P energy: -138.974 bonds (distance) P-C4' energy: -169.735 flat angles C4'-P-C4' energy: -149.307 flat angles P-C4'-P energy: -90.766 tors. eta vs tors. theta energy: -184.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2007.220482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.220482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.220482 (E_RNA) where: Base-Base interactions energy: -1382.930 where: short stacking energy: -611.498 Base-Backbone interact. energy: -2.580 local terms energy: -621.710937 where: bonds (distance) C4'-P energy: -113.385 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -153.266 flat angles P-C4'-P energy: -93.800 tors. eta vs tors. theta energy: -131.367 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: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -2018.008474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.008474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.008474 (E_RNA) where: Base-Base interactions energy: -1398.168 where: short stacking energy: -592.208 Base-Backbone interact. energy: -0.261 local terms energy: -619.579539 where: bonds (distance) C4'-P energy: -128.493 bonds (distance) P-C4' energy: -141.542 flat angles C4'-P-C4' energy: -138.378 flat angles P-C4'-P energy: -82.724 tors. eta vs tors. theta energy: -128.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1697.898325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.898325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.898325 (E_RNA) where: Base-Base interactions energy: -1145.832 where: short stacking energy: -514.560 Base-Backbone interact. energy: 1.696 local terms energy: -553.762375 where: bonds (distance) C4'-P energy: -126.405 bonds (distance) P-C4' energy: -119.688 flat angles C4'-P-C4' energy: -134.742 flat angles P-C4'-P energy: -67.811 tors. eta vs tors. theta energy: -105.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1139.368235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.368235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.368235 (E_RNA) where: Base-Base interactions energy: -657.321 where: short stacking energy: -345.334 Base-Backbone interact. energy: -0.857 local terms energy: -481.189734 where: bonds (distance) C4'-P energy: -139.073 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -117.584 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -21.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2843.908315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.908315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.908315 (E_RNA) where: Base-Base interactions energy: -1988.528 where: short stacking energy: -880.969 Base-Backbone interact. energy: -2.938 local terms energy: -852.441747 where: bonds (distance) C4'-P energy: -163.693 bonds (distance) P-C4' energy: -150.972 flat angles C4'-P-C4' energy: -175.383 flat angles P-C4'-P energy: -120.324 tors. eta vs tors. theta energy: -242.070 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: 2, replica: 9 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2668.295259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.295259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.295259 (E_RNA) where: Base-Base interactions energy: -1906.183 where: short stacking energy: -805.367 Base-Backbone interact. energy: -2.270 local terms energy: -759.841926 where: bonds (distance) C4'-P energy: -140.449 bonds (distance) P-C4' energy: -148.583 flat angles C4'-P-C4' energy: -172.772 flat angles P-C4'-P energy: -115.150 tors. eta vs tors. theta energy: -182.888 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: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2587.274170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.274170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.274170 (E_RNA) where: Base-Base interactions energy: -1819.837 where: short stacking energy: -778.067 Base-Backbone interact. energy: -3.005 local terms energy: -764.432424 where: bonds (distance) C4'-P energy: -152.597 bonds (distance) P-C4' energy: -142.910 flat angles C4'-P-C4' energy: -177.549 flat angles P-C4'-P energy: -92.669 tors. eta vs tors. theta energy: -198.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2568.063106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.063106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.063106 (E_RNA) where: Base-Base interactions energy: -1810.456 where: short stacking energy: -765.620 Base-Backbone interact. energy: -4.138 local terms energy: -753.469227 where: bonds (distance) C4'-P energy: -141.802 bonds (distance) P-C4' energy: -145.081 flat angles C4'-P-C4' energy: -169.869 flat angles P-C4'-P energy: -100.548 tors. eta vs tors. theta energy: -196.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2312.075584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.075584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.075584 (E_RNA) where: Base-Base interactions energy: -1597.184 where: short stacking energy: -664.682 Base-Backbone interact. energy: 2.249 local terms energy: -717.140550 where: bonds (distance) C4'-P energy: -150.993 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -165.276 flat angles P-C4'-P energy: -85.833 tors. eta vs tors. theta energy: -155.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2159.225372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.225372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.225372 (E_RNA) where: Base-Base interactions energy: -1441.374 where: short stacking energy: -654.748 Base-Backbone interact. energy: -3.398 local terms energy: -714.453072 where: bonds (distance) C4'-P energy: -129.443 bonds (distance) P-C4' energy: -156.109 flat angles C4'-P-C4' energy: -149.667 flat angles P-C4'-P energy: -96.494 tors. eta vs tors. theta energy: -182.741 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: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2051.398828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.398828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.398828 (E_RNA) where: Base-Base interactions energy: -1372.869 where: short stacking energy: -605.657 Base-Backbone interact. energy: -1.248 local terms energy: -677.282600 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -133.985 flat angles C4'-P-C4' energy: -157.666 flat angles P-C4'-P energy: -95.736 tors. eta vs tors. theta energy: -144.634 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: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -2044.693880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.693880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.693880 (E_RNA) where: Base-Base interactions energy: -1396.334 where: short stacking energy: -618.059 Base-Backbone interact. energy: 3.150 local terms energy: -651.508909 where: bonds (distance) C4'-P energy: -128.607 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -142.987 flat angles P-C4'-P energy: -96.396 tors. eta vs tors. theta energy: -153.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1682.671729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.671729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.671729 (E_RNA) where: Base-Base interactions energy: -1125.003 where: short stacking energy: -487.183 Base-Backbone interact. energy: -4.612 local terms energy: -553.056642 where: bonds (distance) C4'-P energy: -108.629 bonds (distance) P-C4' energy: -124.094 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -87.320 tors. eta vs tors. theta energy: -94.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1159.075656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.075656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.075656 (E_RNA) where: Base-Base interactions energy: -702.853 where: short stacking energy: -377.093 Base-Backbone interact. energy: -3.957 local terms energy: -452.266348 where: bonds (distance) C4'-P energy: -120.392 bonds (distance) P-C4' energy: -112.325 flat angles C4'-P-C4' energy: -115.038 flat angles P-C4'-P energy: -74.267 tors. eta vs tors. theta energy: -30.244 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: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2878.703405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.703405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.703405 (E_RNA) where: Base-Base interactions energy: -1995.634 where: short stacking energy: -863.960 Base-Backbone interact. energy: -2.742 local terms energy: -880.326735 where: bonds (distance) C4'-P energy: -169.414 bonds (distance) P-C4' energy: -152.022 flat angles C4'-P-C4' energy: -187.975 flat angles P-C4'-P energy: -126.147 tors. eta vs tors. theta energy: -244.768 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: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2714.186536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.186536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.186536 (E_RNA) where: Base-Base interactions energy: -1893.190 where: short stacking energy: -823.542 Base-Backbone interact. energy: -6.240 local terms energy: -814.757024 where: bonds (distance) C4'-P energy: -166.273 bonds (distance) P-C4' energy: -159.042 flat angles C4'-P-C4' energy: -167.366 flat angles P-C4'-P energy: -111.286 tors. eta vs tors. theta energy: -210.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2613.996189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.996189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.996189 (E_RNA) where: Base-Base interactions energy: -1828.154 where: short stacking energy: -807.434 Base-Backbone interact. energy: 0.278 local terms energy: -786.120309 where: bonds (distance) C4'-P energy: -149.709 bonds (distance) P-C4' energy: -146.721 flat angles C4'-P-C4' energy: -179.105 flat angles P-C4'-P energy: -104.452 tors. eta vs tors. theta energy: -206.134 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: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2548.093430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.093430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.093430 (E_RNA) where: Base-Base interactions energy: -1796.767 where: short stacking energy: -769.648 Base-Backbone interact. energy: -0.525 local terms energy: -750.801904 where: bonds (distance) C4'-P energy: -137.771 bonds (distance) P-C4' energy: -154.499 flat angles C4'-P-C4' energy: -164.639 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -184.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2334.981002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.981002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.981002 (E_RNA) where: Base-Base interactions energy: -1616.013 where: short stacking energy: -667.875 Base-Backbone interact. energy: -5.896 local terms energy: -713.071717 where: bonds (distance) C4'-P energy: -144.067 bonds (distance) P-C4' energy: -170.488 flat angles C4'-P-C4' energy: -162.238 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -148.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2131.657948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.657948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.657948 (E_RNA) where: Base-Base interactions energy: -1445.724 where: short stacking energy: -683.459 Base-Backbone interact. energy: 0.498 local terms energy: -686.431509 where: bonds (distance) C4'-P energy: -155.428 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -148.806 flat angles P-C4'-P energy: -85.431 tors. eta vs tors. theta energy: -153.930 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2042.492377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.492377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.492377 (E_RNA) where: Base-Base interactions energy: -1405.708 where: short stacking energy: -581.339 Base-Backbone interact. energy: 4.729 local terms energy: -641.513654 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -139.764 flat angles C4'-P-C4' energy: -141.055 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -120.433 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: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1926.836246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.836246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.836246 (E_RNA) where: Base-Base interactions energy: -1319.439 where: short stacking energy: -567.627 Base-Backbone interact. energy: 0.983 local terms energy: -608.380183 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -125.026 flat angles C4'-P-C4' energy: -137.401 flat angles P-C4'-P energy: -92.590 tors. eta vs tors. theta energy: -128.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1594.560154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.560154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.560154 (E_RNA) where: Base-Base interactions energy: -1023.487 where: short stacking energy: -456.069 Base-Backbone interact. energy: -5.709 local terms energy: -565.363600 where: bonds (distance) C4'-P energy: -134.827 bonds (distance) P-C4' energy: -142.863 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -81.621 tors. eta vs tors. theta energy: -83.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1058.179993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.179993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.179993 (E_RNA) where: Base-Base interactions energy: -601.731 where: short stacking energy: -288.543 Base-Backbone interact. energy: 1.625 local terms energy: -458.074104 where: bonds (distance) C4'-P energy: -119.389 bonds (distance) P-C4' energy: -144.545 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -62.191 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2881.807841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.807841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.807841 (E_RNA) where: Base-Base interactions energy: -2002.454 where: short stacking energy: -875.953 Base-Backbone interact. energy: -2.093 local terms energy: -877.261209 where: bonds (distance) C4'-P energy: -159.326 bonds (distance) P-C4' energy: -173.494 flat angles C4'-P-C4' energy: -187.562 flat angles P-C4'-P energy: -105.776 tors. eta vs tors. theta energy: -251.104 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: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2717.381085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.381085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.381085 (E_RNA) where: Base-Base interactions energy: -1896.236 where: short stacking energy: -793.452 Base-Backbone interact. energy: -4.739 local terms energy: -816.406671 where: bonds (distance) C4'-P energy: -159.018 bonds (distance) P-C4' energy: -151.614 flat angles C4'-P-C4' energy: -174.088 flat angles P-C4'-P energy: -122.178 tors. eta vs tors. theta energy: -209.508 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2593.600513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.600513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.600513 (E_RNA) where: Base-Base interactions energy: -1817.700 where: short stacking energy: -765.800 Base-Backbone interact. energy: -0.624 local terms energy: -775.277177 where: bonds (distance) C4'-P energy: -151.469 bonds (distance) P-C4' energy: -154.656 flat angles C4'-P-C4' energy: -168.088 flat angles P-C4'-P energy: -103.303 tors. eta vs tors. theta energy: -197.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2547.253665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.253665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.253665 (E_RNA) where: Base-Base interactions energy: -1779.362 where: short stacking energy: -766.649 Base-Backbone interact. energy: 0.604 local terms energy: -768.496341 where: bonds (distance) C4'-P energy: -159.462 bonds (distance) P-C4' energy: -151.159 flat angles C4'-P-C4' energy: -166.485 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -180.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2362.658498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.658498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.658498 (E_RNA) where: Base-Base interactions energy: -1668.156 where: short stacking energy: -716.068 Base-Backbone interact. energy: -5.228 local terms energy: -689.273878 where: bonds (distance) C4'-P energy: -112.063 bonds (distance) P-C4' energy: -150.133 flat angles C4'-P-C4' energy: -159.431 flat angles P-C4'-P energy: -96.857 tors. eta vs tors. theta energy: -170.790 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: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2115.230599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.230599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.230599 (E_RNA) where: Base-Base interactions energy: -1459.263 where: short stacking energy: -609.446 Base-Backbone interact. energy: 1.794 local terms energy: -657.761342 where: bonds (distance) C4'-P energy: -145.310 bonds (distance) P-C4' energy: -137.688 flat angles C4'-P-C4' energy: -147.514 flat angles P-C4'-P energy: -81.184 tors. eta vs tors. theta energy: -146.066 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: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2072.474626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.474626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.474626 (E_RNA) where: Base-Base interactions energy: -1381.057 where: short stacking energy: -638.344 Base-Backbone interact. energy: -2.845 local terms energy: -688.572770 where: bonds (distance) C4'-P energy: -144.124 bonds (distance) P-C4' energy: -134.994 flat angles C4'-P-C4' energy: -133.848 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -179.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1964.454355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.454355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.454355 (E_RNA) where: Base-Base interactions energy: -1336.740 where: short stacking energy: -586.077 Base-Backbone interact. energy: -2.358 local terms energy: -625.355897 where: bonds (distance) C4'-P energy: -146.814 bonds (distance) P-C4' energy: -137.347 flat angles C4'-P-C4' energy: -132.325 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -136.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1662.898333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.898333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.898333 (E_RNA) where: Base-Base interactions energy: -1097.006 where: short stacking energy: -487.705 Base-Backbone interact. energy: 0.605 local terms energy: -566.496898 where: bonds (distance) C4'-P energy: -124.915 bonds (distance) P-C4' energy: -126.832 flat angles C4'-P-C4' energy: -139.849 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -94.174 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: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1057.133816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.133816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.133816 (E_RNA) where: Base-Base interactions energy: -620.510 where: short stacking energy: -310.064 Base-Backbone interact. energy: -1.632 local terms energy: -434.991538 where: bonds (distance) C4'-P energy: -112.948 bonds (distance) P-C4' energy: -137.798 flat angles C4'-P-C4' energy: -96.052 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -23.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2887.008087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.008087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.008087 (E_RNA) where: Base-Base interactions energy: -2013.814 where: short stacking energy: -864.847 Base-Backbone interact. energy: -2.940 local terms energy: -870.253610 where: bonds (distance) C4'-P energy: -166.116 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -191.561 flat angles P-C4'-P energy: -116.093 tors. eta vs tors. theta energy: -244.248 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: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2717.102016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.102016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.102016 (E_RNA) where: Base-Base interactions energy: -1910.950 where: short stacking energy: -796.974 Base-Backbone interact. energy: -6.287 local terms energy: -799.865295 where: bonds (distance) C4'-P energy: -154.609 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -166.410 flat angles P-C4'-P energy: -112.844 tors. eta vs tors. theta energy: -214.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2555.487545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.487545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.487545 (E_RNA) where: Base-Base interactions energy: -1783.593 where: short stacking energy: -771.479 Base-Backbone interact. energy: -3.233 local terms energy: -768.661878 where: bonds (distance) C4'-P energy: -159.050 bonds (distance) P-C4' energy: -148.650 flat angles C4'-P-C4' energy: -176.476 flat angles P-C4'-P energy: -102.197 tors. eta vs tors. theta energy: -182.289 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: 78 Temperature: 1.050000 Total energy: -2550.551659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.551659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.551659 (E_RNA) where: Base-Base interactions energy: -1787.654 where: short stacking energy: -782.341 Base-Backbone interact. energy: -4.041 local terms energy: -758.855882 where: bonds (distance) C4'-P energy: -138.372 bonds (distance) P-C4' energy: -142.671 flat angles C4'-P-C4' energy: -170.043 flat angles P-C4'-P energy: -111.709 tors. eta vs tors. theta energy: -196.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2421.488977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.488977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.488977 (E_RNA) where: Base-Base interactions energy: -1690.387 where: short stacking energy: -762.445 Base-Backbone interact. energy: 1.679 local terms energy: -732.781085 where: bonds (distance) C4'-P energy: -131.143 bonds (distance) P-C4' energy: -142.874 flat angles C4'-P-C4' energy: -158.622 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -192.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2129.632986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.632986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.632986 (E_RNA) where: Base-Base interactions energy: -1451.504 where: short stacking energy: -626.388 Base-Backbone interact. energy: -3.489 local terms energy: -674.639827 where: bonds (distance) C4'-P energy: -130.314 bonds (distance) P-C4' energy: -146.503 flat angles C4'-P-C4' energy: -157.520 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -143.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2015.714748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.714748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.714748 (E_RNA) where: Base-Base interactions energy: -1377.902 where: short stacking energy: -613.343 Base-Backbone interact. energy: 1.411 local terms energy: -639.223546 where: bonds (distance) C4'-P energy: -116.293 bonds (distance) P-C4' energy: -127.632 flat angles C4'-P-C4' energy: -141.801 flat angles P-C4'-P energy: -106.856 tors. eta vs tors. theta energy: -146.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1990.799580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.799580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.799580 (E_RNA) where: Base-Base interactions energy: -1360.771 where: short stacking energy: -601.957 Base-Backbone interact. energy: -0.070 local terms energy: -629.958932 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -146.459 flat angles C4'-P-C4' energy: -142.500 flat angles P-C4'-P energy: -90.926 tors. eta vs tors. theta energy: -147.996 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: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1701.076998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.076998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.076998 (E_RNA) where: Base-Base interactions energy: -1124.039 where: short stacking energy: -504.886 Base-Backbone interact. energy: -1.757 local terms energy: -575.281127 where: bonds (distance) C4'-P energy: -126.974 bonds (distance) P-C4' energy: -139.142 flat angles C4'-P-C4' energy: -133.557 flat angles P-C4'-P energy: -73.955 tors. eta vs tors. theta energy: -101.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1171.013499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.013499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.013499 (E_RNA) where: Base-Base interactions energy: -725.385 where: short stacking energy: -359.819 Base-Backbone interact. energy: 1.362 local terms energy: -446.990708 where: bonds (distance) C4'-P energy: -134.732 bonds (distance) P-C4' energy: -111.326 flat angles C4'-P-C4' energy: -117.720 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -14.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2903.685197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.685197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.685197 (E_RNA) where: Base-Base interactions energy: -2037.214 where: short stacking energy: -869.715 Base-Backbone interact. energy: -4.097 local terms energy: -862.373587 where: bonds (distance) C4'-P energy: -153.343 bonds (distance) P-C4' energy: -157.018 flat angles C4'-P-C4' energy: -194.124 flat angles P-C4'-P energy: -117.714 tors. eta vs tors. theta energy: -240.174 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: 79 Temperature: 0.950000 Total energy: -2697.230390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.230390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.230390 (E_RNA) where: Base-Base interactions energy: -1891.768 where: short stacking energy: -793.045 Base-Backbone interact. energy: -5.362 local terms energy: -800.100354 where: bonds (distance) C4'-P energy: -151.541 bonds (distance) P-C4' energy: -156.785 flat angles C4'-P-C4' energy: -179.189 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -209.284 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2566.484292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.484292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.484292 (E_RNA) where: Base-Base interactions energy: -1787.082 where: short stacking energy: -783.694 Base-Backbone interact. energy: -4.022 local terms energy: -775.380284 where: bonds (distance) C4'-P energy: -140.661 bonds (distance) P-C4' energy: -147.857 flat angles C4'-P-C4' energy: -173.645 flat angles P-C4'-P energy: -110.666 tors. eta vs tors. theta energy: -202.551 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: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2531.712368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.712368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.712368 (E_RNA) where: Base-Base interactions energy: -1767.607 where: short stacking energy: -712.057 Base-Backbone interact. energy: 6.078 local terms energy: -770.183020 where: bonds (distance) C4'-P energy: -158.393 bonds (distance) P-C4' energy: -141.754 flat angles C4'-P-C4' energy: -177.023 flat angles P-C4'-P energy: -116.621 tors. eta vs tors. theta energy: -176.391 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: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2356.601787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.601787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.601787 (E_RNA) where: Base-Base interactions energy: -1657.226 where: short stacking energy: -708.351 Base-Backbone interact. energy: -4.676 local terms energy: -694.699695 where: bonds (distance) C4'-P energy: -136.451 bonds (distance) P-C4' energy: -141.597 flat angles C4'-P-C4' energy: -147.369 flat angles P-C4'-P energy: -95.193 tors. eta vs tors. theta energy: -174.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2125.100131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.100131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.100131 (E_RNA) where: Base-Base interactions energy: -1430.495 where: short stacking energy: -641.200 Base-Backbone interact. energy: -4.191 local terms energy: -690.413908 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -155.571 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -99.353 tors. eta vs tors. theta energy: -145.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2060.944782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.944782 (E_RNA) where: Base-Base interactions energy: -1407.473 where: short stacking energy: -633.663 Base-Backbone interact. energy: 3.142 local terms energy: -656.613784 where: bonds (distance) C4'-P energy: -130.354 bonds (distance) P-C4' energy: -128.449 flat angles C4'-P-C4' energy: -143.534 flat angles P-C4'-P energy: -89.847 tors. eta vs tors. theta energy: -164.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1941.462020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.462020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.462020 (E_RNA) where: Base-Base interactions energy: -1342.352 where: short stacking energy: -573.053 Base-Backbone interact. energy: -0.203 local terms energy: -598.907154 where: bonds (distance) C4'-P energy: -116.413 bonds (distance) P-C4' energy: -122.069 flat angles C4'-P-C4' energy: -124.554 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -136.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1659.563651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.563651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.563651 (E_RNA) where: Base-Base interactions energy: -1066.967 where: short stacking energy: -465.866 Base-Backbone interact. energy: -1.953 local terms energy: -590.644072 where: bonds (distance) C4'-P energy: -121.369 bonds (distance) P-C4' energy: -147.181 flat angles C4'-P-C4' energy: -136.160 flat angles P-C4'-P energy: -89.024 tors. eta vs tors. theta energy: -96.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1148.227711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.227711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.227711 (E_RNA) where: Base-Base interactions energy: -678.040 where: short stacking energy: -342.983 Base-Backbone interact. energy: -4.533 local terms energy: -465.654433 where: bonds (distance) C4'-P energy: -118.814 bonds (distance) P-C4' energy: -139.158 flat angles C4'-P-C4' energy: -128.971 flat angles P-C4'-P energy: -69.583 tors. eta vs tors. theta energy: -9.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2847.653843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.653843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.653843 (E_RNA) where: Base-Base interactions energy: -1980.307 where: short stacking energy: -864.880 Base-Backbone interact. energy: -1.460 local terms energy: -865.886039 where: bonds (distance) C4'-P energy: -160.958 bonds (distance) P-C4' energy: -159.969 flat angles C4'-P-C4' energy: -185.955 flat angles P-C4'-P energy: -114.723 tors. eta vs tors. theta energy: -244.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2692.916089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.916089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.916089 (E_RNA) where: Base-Base interactions energy: -1911.566 where: short stacking energy: -816.435 Base-Backbone interact. energy: -3.488 local terms energy: -777.862824 where: bonds (distance) C4'-P energy: -150.794 bonds (distance) P-C4' energy: -148.361 flat angles C4'-P-C4' energy: -161.008 flat angles P-C4'-P energy: -102.084 tors. eta vs tors. theta energy: -215.616 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: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2602.263395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.263395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.263395 (E_RNA) where: Base-Base interactions energy: -1825.663 where: short stacking energy: -780.743 Base-Backbone interact. energy: 2.735 local terms energy: -779.335333 where: bonds (distance) C4'-P energy: -149.407 bonds (distance) P-C4' energy: -144.328 flat angles C4'-P-C4' energy: -178.213 flat angles P-C4'-P energy: -116.337 tors. eta vs tors. theta energy: -191.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2474.012803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.012803 (E_RNA) where: Base-Base interactions energy: -1697.291 where: short stacking energy: -743.868 Base-Backbone interact. energy: -0.868 local terms energy: -775.853356 where: bonds (distance) C4'-P energy: -147.600 bonds (distance) P-C4' energy: -158.779 flat angles C4'-P-C4' energy: -168.355 flat angles P-C4'-P energy: -109.423 tors. eta vs tors. theta energy: -191.695 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: 80 Temperature: 1.100000 Total energy: -2360.897310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.897310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.897310 (E_RNA) where: Base-Base interactions energy: -1680.027 where: short stacking energy: -683.118 Base-Backbone interact. energy: -6.370 local terms energy: -674.501060 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -140.074 flat angles C4'-P-C4' energy: -151.933 flat angles P-C4'-P energy: -93.895 tors. eta vs tors. theta energy: -168.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2191.412275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.412275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.412275 (E_RNA) where: Base-Base interactions energy: -1487.399 where: short stacking energy: -651.319 Base-Backbone interact. energy: -6.781 local terms energy: -697.231964 where: bonds (distance) C4'-P energy: -136.051 bonds (distance) P-C4' energy: -164.580 flat angles C4'-P-C4' energy: -159.915 flat angles P-C4'-P energy: -85.573 tors. eta vs tors. theta energy: -151.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2094.371142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.371142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.371142 (E_RNA) where: Base-Base interactions energy: -1407.424 where: short stacking energy: -641.592 Base-Backbone interact. energy: 0.156 local terms energy: -687.103118 where: bonds (distance) C4'-P energy: -137.632 bonds (distance) P-C4' energy: -122.545 flat angles C4'-P-C4' energy: -155.831 flat angles P-C4'-P energy: -108.513 tors. eta vs tors. theta energy: -162.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1943.632981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.632981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.632981 (E_RNA) where: Base-Base interactions energy: -1322.253 where: short stacking energy: -592.779 Base-Backbone interact. energy: -5.768 local terms energy: -615.611620 where: bonds (distance) C4'-P energy: -125.091 bonds (distance) P-C4' energy: -133.904 flat angles C4'-P-C4' energy: -140.302 flat angles P-C4'-P energy: -71.884 tors. eta vs tors. theta energy: -144.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1616.006149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.006149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.006149 (E_RNA) where: Base-Base interactions energy: -1057.133 where: short stacking energy: -476.427 Base-Backbone interact. energy: 5.057 local terms energy: -563.930554 where: bonds (distance) C4'-P energy: -130.701 bonds (distance) P-C4' energy: -127.702 flat angles C4'-P-C4' energy: -138.787 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: -85.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1189.218793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.218793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.218793 (E_RNA) where: Base-Base interactions energy: -703.906 where: short stacking energy: -341.479 Base-Backbone interact. energy: -0.058 local terms energy: -485.254574 where: bonds (distance) C4'-P energy: -123.546 bonds (distance) P-C4' energy: -122.137 flat angles C4'-P-C4' energy: -125.830 flat angles P-C4'-P energy: -78.115 tors. eta vs tors. theta energy: -35.627 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: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2879.328178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.328178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.328178 (E_RNA) where: Base-Base interactions energy: -2028.232 where: short stacking energy: -874.836 Base-Backbone interact. energy: -5.542 local terms energy: -845.554256 where: bonds (distance) C4'-P energy: -150.091 bonds (distance) P-C4' energy: -174.922 flat angles C4'-P-C4' energy: -175.590 flat angles P-C4'-P energy: -105.315 tors. eta vs tors. theta energy: -239.637 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: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2691.129545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.129545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.129545 (E_RNA) where: Base-Base interactions energy: -1898.269 where: short stacking energy: -838.093 Base-Backbone interact. energy: -0.382 local terms energy: -792.478772 where: bonds (distance) C4'-P energy: -156.767 bonds (distance) P-C4' energy: -155.785 flat angles C4'-P-C4' energy: -153.330 flat angles P-C4'-P energy: -109.811 tors. eta vs tors. theta energy: -216.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2638.141486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.141486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.141486 (E_RNA) where: Base-Base interactions energy: -1855.471 where: short stacking energy: -796.556 Base-Backbone interact. energy: 0.090 local terms energy: -782.761295 where: bonds (distance) C4'-P energy: -149.295 bonds (distance) P-C4' energy: -167.745 flat angles C4'-P-C4' energy: -158.558 flat angles P-C4'-P energy: -115.115 tors. eta vs tors. theta energy: -192.048 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2423.535504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.535504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.535504 (E_RNA) where: Base-Base interactions energy: -1707.096 where: short stacking energy: -725.659 Base-Backbone interact. energy: -4.020 local terms energy: -712.420220 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -154.951 flat angles C4'-P-C4' energy: -174.080 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -180.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2428.568421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.568421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.568421 (E_RNA) where: Base-Base interactions energy: -1679.976 where: short stacking energy: -740.485 Base-Backbone interact. energy: -3.554 local terms energy: -745.038424 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -130.654 flat angles C4'-P-C4' energy: -164.227 flat angles P-C4'-P energy: -97.004 tors. eta vs tors. theta energy: -205.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2177.906850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.906850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.906850 (E_RNA) where: Base-Base interactions energy: -1507.825 where: short stacking energy: -637.968 Base-Backbone interact. energy: -1.026 local terms energy: -669.056520 where: bonds (distance) C4'-P energy: -147.382 bonds (distance) P-C4' energy: -144.732 flat angles C4'-P-C4' energy: -154.143 flat angles P-C4'-P energy: -92.757 tors. eta vs tors. theta energy: -130.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2059.951602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.951602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.951602 (E_RNA) where: Base-Base interactions energy: -1386.470 where: short stacking energy: -621.653 Base-Backbone interact. energy: 7.742 local terms energy: -681.223768 where: bonds (distance) C4'-P energy: -137.965 bonds (distance) P-C4' energy: -138.911 flat angles C4'-P-C4' energy: -167.496 flat angles P-C4'-P energy: -98.605 tors. eta vs tors. theta energy: -138.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1958.982109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.982109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.982109 (E_RNA) where: Base-Base interactions energy: -1337.148 where: short stacking energy: -589.939 Base-Backbone interact. energy: 6.347 local terms energy: -628.181141 where: bonds (distance) C4'-P energy: -135.145 bonds (distance) P-C4' energy: -115.263 flat angles C4'-P-C4' energy: -145.870 flat angles P-C4'-P energy: -87.410 tors. eta vs tors. theta energy: -144.493 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: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1596.568077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.568077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.568077 (E_RNA) where: Base-Base interactions energy: -1053.326 where: short stacking energy: -466.432 Base-Backbone interact. energy: 1.313 local terms energy: -544.555034 where: bonds (distance) C4'-P energy: -130.625 bonds (distance) P-C4' energy: -115.891 flat angles C4'-P-C4' energy: -124.262 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -91.156 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: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1101.605154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.605154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.605154 (E_RNA) where: Base-Base interactions energy: -654.484 where: short stacking energy: -321.954 Base-Backbone interact. energy: -0.953 local terms energy: -446.168731 where: bonds (distance) C4'-P energy: -112.021 bonds (distance) P-C4' energy: -145.405 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -70.471 tors. eta vs tors. theta energy: -28.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2883.211190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.211190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.211190 (E_RNA) where: Base-Base interactions energy: -2033.042 where: short stacking energy: -875.613 Base-Backbone interact. energy: -0.284 local terms energy: -849.884548 where: bonds (distance) C4'-P energy: -160.067 bonds (distance) P-C4' energy: -150.789 flat angles C4'-P-C4' energy: -174.579 flat angles P-C4'-P energy: -127.042 tors. eta vs tors. theta energy: -237.408 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: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2673.247476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.247476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.247476 (E_RNA) where: Base-Base interactions energy: -1880.566 where: short stacking energy: -788.331 Base-Backbone interact. energy: -4.325 local terms energy: -788.356445 where: bonds (distance) C4'-P energy: -149.916 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -160.665 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -206.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2655.656795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.656795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.656795 (E_RNA) where: Base-Base interactions energy: -1866.427 where: short stacking energy: -802.650 Base-Backbone interact. energy: -3.843 local terms energy: -785.386664 where: bonds (distance) C4'-P energy: -140.300 bonds (distance) P-C4' energy: -144.241 flat angles C4'-P-C4' energy: -162.525 flat angles P-C4'-P energy: -123.050 tors. eta vs tors. theta energy: -215.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2447.347987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.347987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.347987 (E_RNA) where: Base-Base interactions energy: -1714.891 where: short stacking energy: -715.690 Base-Backbone interact. energy: -0.025 local terms energy: -732.432061 where: bonds (distance) C4'-P energy: -137.584 bonds (distance) P-C4' energy: -163.175 flat angles C4'-P-C4' energy: -149.152 flat angles P-C4'-P energy: -114.009 tors. eta vs tors. theta energy: -168.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2440.985484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.985484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.985484 (E_RNA) where: Base-Base interactions energy: -1690.619 where: short stacking energy: -747.007 Base-Backbone interact. energy: 3.056 local terms energy: -753.422694 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -157.928 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -101.905 tors. eta vs tors. theta energy: -192.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2206.175719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.175719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.175719 (E_RNA) where: Base-Base interactions energy: -1526.916 where: short stacking energy: -674.729 Base-Backbone interact. energy: -1.705 local terms energy: -677.555598 where: bonds (distance) C4'-P energy: -128.746 bonds (distance) P-C4' energy: -153.419 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -101.553 tors. eta vs tors. theta energy: -145.911 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1998.834622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.834622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.834622 (E_RNA) where: Base-Base interactions energy: -1368.966 where: short stacking energy: -619.782 Base-Backbone interact. energy: -0.023 local terms energy: -629.845838 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -142.614 flat angles C4'-P-C4' energy: -152.575 flat angles P-C4'-P energy: -90.591 tors. eta vs tors. theta energy: -124.425 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: 3 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1839.198096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.198096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.198096 (E_RNA) where: Base-Base interactions energy: -1234.995 where: short stacking energy: -566.981 Base-Backbone interact. energy: -1.826 local terms energy: -602.376557 where: bonds (distance) C4'-P energy: -113.957 bonds (distance) P-C4' energy: -139.386 flat angles C4'-P-C4' energy: -140.330 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -121.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1560.824080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.824080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.824080 (E_RNA) where: Base-Base interactions energy: -1009.920 where: short stacking energy: -475.193 Base-Backbone interact. energy: 2.408 local terms energy: -553.311127 where: bonds (distance) C4'-P energy: -136.789 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -114.844 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -91.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1192.081101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.081101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.081101 (E_RNA) where: Base-Base interactions energy: -731.777 where: short stacking energy: -360.141 Base-Backbone interact. energy: -3.944 local terms energy: -456.360785 where: bonds (distance) C4'-P energy: -119.520 bonds (distance) P-C4' energy: -142.775 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -38.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2895.628864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.628864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.628864 (E_RNA) where: Base-Base interactions energy: -2042.743 where: short stacking energy: -881.788 Base-Backbone interact. energy: -2.458 local terms energy: -850.428339 where: bonds (distance) C4'-P energy: -155.944 bonds (distance) P-C4' energy: -168.513 flat angles C4'-P-C4' energy: -171.283 flat angles P-C4'-P energy: -113.405 tors. eta vs tors. theta energy: -241.283 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: 83 Temperature: 0.950000 Total energy: -2718.466900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.466900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.466900 (E_RNA) where: Base-Base interactions energy: -1899.580 where: short stacking energy: -812.500 Base-Backbone interact. energy: -2.176 local terms energy: -816.711339 where: bonds (distance) C4'-P energy: -154.213 bonds (distance) P-C4' energy: -152.717 flat angles C4'-P-C4' energy: -180.750 flat angles P-C4'-P energy: -124.674 tors. eta vs tors. theta energy: -204.357 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: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2653.535854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.535854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.535854 (E_RNA) where: Base-Base interactions energy: -1859.766 where: short stacking energy: -795.794 Base-Backbone interact. energy: -1.794 local terms energy: -791.976506 where: bonds (distance) C4'-P energy: -157.236 bonds (distance) P-C4' energy: -148.873 flat angles C4'-P-C4' energy: -169.682 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -204.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2485.554813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.554813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.554813 (E_RNA) where: Base-Base interactions energy: -1714.094 where: short stacking energy: -721.520 Base-Backbone interact. energy: -1.926 local terms energy: -769.534779 where: bonds (distance) C4'-P energy: -164.799 bonds (distance) P-C4' energy: -143.909 flat angles C4'-P-C4' energy: -159.415 flat angles P-C4'-P energy: -113.825 tors. eta vs tors. theta energy: -187.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2438.366715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.366715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.366715 (E_RNA) where: Base-Base interactions energy: -1703.222 where: short stacking energy: -733.106 Base-Backbone interact. energy: -4.677 local terms energy: -730.467762 where: bonds (distance) C4'-P energy: -123.681 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -173.940 flat angles P-C4'-P energy: -104.043 tors. eta vs tors. theta energy: -183.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2270.819832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.819832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.819832 (E_RNA) where: Base-Base interactions energy: -1578.279 where: short stacking energy: -654.962 Base-Backbone interact. energy: 4.325 local terms energy: -696.865505 where: bonds (distance) C4'-P energy: -146.110 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -146.346 flat angles P-C4'-P energy: -102.865 tors. eta vs tors. theta energy: -162.922 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: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1918.430738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.430738 (E_RNA) where: Base-Base interactions energy: -1298.312 where: short stacking energy: -597.588 Base-Backbone interact. energy: -2.079 local terms energy: -618.039524 where: bonds (distance) C4'-P energy: -135.023 bonds (distance) P-C4' energy: -124.467 flat angles C4'-P-C4' energy: -142.034 flat angles P-C4'-P energy: -84.134 tors. eta vs tors. theta energy: -132.382 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: 8, replica: 3 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1858.366490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.366490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.366490 (E_RNA) where: Base-Base interactions energy: -1247.096 where: short stacking energy: -546.017 Base-Backbone interact. energy: 3.141 local terms energy: -614.411118 where: bonds (distance) C4'-P energy: -118.163 bonds (distance) P-C4' energy: -139.635 flat angles C4'-P-C4' energy: -136.499 flat angles P-C4'-P energy: -92.390 tors. eta vs tors. theta energy: -127.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1673.501592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.501592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.501592 (E_RNA) where: Base-Base interactions energy: -1100.773 where: short stacking energy: -495.463 Base-Backbone interact. energy: 4.635 local terms energy: -577.362791 where: bonds (distance) C4'-P energy: -117.002 bonds (distance) P-C4' energy: -138.319 flat angles C4'-P-C4' energy: -129.101 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -100.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1143.786771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.786771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.786771 (E_RNA) where: Base-Base interactions energy: -714.251 where: short stacking energy: -343.385 Base-Backbone interact. energy: -3.296 local terms energy: -426.239150 where: bonds (distance) C4'-P energy: -114.059 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -103.622 flat angles P-C4'-P energy: -66.987 tors. eta vs tors. theta energy: -8.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2859.570751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.570751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.570751 (E_RNA) where: Base-Base interactions energy: -2004.084 where: short stacking energy: -880.602 Base-Backbone interact. energy: -6.335 local terms energy: -849.151075 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -165.013 flat angles C4'-P-C4' energy: -195.002 flat angles P-C4'-P energy: -106.431 tors. eta vs tors. theta energy: -241.909 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: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2734.375200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.375200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.375200 (E_RNA) where: Base-Base interactions energy: -1921.919 where: short stacking energy: -820.082 Base-Backbone interact. energy: -5.674 local terms energy: -806.782793 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -163.395 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -106.421 tors. eta vs tors. theta energy: -207.122 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: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2619.709505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.709505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.709505 (E_RNA) where: Base-Base interactions energy: -1824.197 where: short stacking energy: -776.568 Base-Backbone interact. energy: -4.083 local terms energy: -791.428624 where: bonds (distance) C4'-P energy: -150.509 bonds (distance) P-C4' energy: -140.820 flat angles C4'-P-C4' energy: -168.896 flat angles P-C4'-P energy: -119.710 tors. eta vs tors. theta energy: -211.494 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: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2499.117278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.117278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.117278 (E_RNA) where: Base-Base interactions energy: -1731.005 where: short stacking energy: -768.458 Base-Backbone interact. energy: -4.100 local terms energy: -764.012451 where: bonds (distance) C4'-P energy: -158.254 bonds (distance) P-C4' energy: -145.839 flat angles C4'-P-C4' energy: -177.192 flat angles P-C4'-P energy: -93.703 tors. eta vs tors. theta energy: -189.024 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: 84 Temperature: 1.100000 Total energy: -2337.247055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.247055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.247055 (E_RNA) where: Base-Base interactions energy: -1644.844 where: short stacking energy: -663.267 Base-Backbone interact. energy: -3.766 local terms energy: -688.637138 where: bonds (distance) C4'-P energy: -134.110 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -153.078 flat angles P-C4'-P energy: -99.210 tors. eta vs tors. theta energy: -149.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2323.107147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.107147 (E_RNA) where: Base-Base interactions energy: -1627.178 where: short stacking energy: -685.804 Base-Backbone interact. energy: -1.429 local terms energy: -694.500810 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -131.548 flat angles C4'-P-C4' energy: -164.715 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -164.962 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: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1945.083600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.083600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.083600 (E_RNA) where: Base-Base interactions energy: -1338.681 where: short stacking energy: -599.983 Base-Backbone interact. energy: -3.445 local terms energy: -602.957931 where: bonds (distance) C4'-P energy: -128.665 bonds (distance) P-C4' energy: -132.665 flat angles C4'-P-C4' energy: -147.040 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -123.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1901.259206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.259206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.259206 (E_RNA) where: Base-Base interactions energy: -1285.703 where: short stacking energy: -543.455 Base-Backbone interact. energy: -1.576 local terms energy: -613.980158 where: bonds (distance) C4'-P energy: -114.863 bonds (distance) P-C4' energy: -134.769 flat angles C4'-P-C4' energy: -152.328 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -132.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1605.343784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.343784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.343784 (E_RNA) where: Base-Base interactions energy: -1049.482 where: short stacking energy: -484.634 Base-Backbone interact. energy: -1.486 local terms energy: -554.375690 where: bonds (distance) C4'-P energy: -126.132 bonds (distance) P-C4' energy: -132.664 flat angles C4'-P-C4' energy: -136.901 flat angles P-C4'-P energy: -77.880 tors. eta vs tors. theta energy: -80.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1171.100988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.100988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.100988 (E_RNA) where: Base-Base interactions energy: -707.288 where: short stacking energy: -358.540 Base-Backbone interact. energy: 2.348 local terms energy: -466.160588 where: bonds (distance) C4'-P energy: -131.410 bonds (distance) P-C4' energy: -130.319 flat angles C4'-P-C4' energy: -121.016 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -8.984 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: 85 Temperature: 0.900000 Total energy: -2896.853697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.853697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.853697 (E_RNA) where: Base-Base interactions energy: -2020.673 where: short stacking energy: -871.213 Base-Backbone interact. energy: -0.298 local terms energy: -875.882630 where: bonds (distance) C4'-P energy: -152.688 bonds (distance) P-C4' energy: -171.247 flat angles C4'-P-C4' energy: -185.403 flat angles P-C4'-P energy: -129.351 tors. eta vs tors. theta energy: -237.193 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: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2738.606300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.606300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.606300 (E_RNA) where: Base-Base interactions energy: -1910.532 where: short stacking energy: -820.175 Base-Backbone interact. energy: -5.208 local terms energy: -822.867053 where: bonds (distance) C4'-P energy: -153.051 bonds (distance) P-C4' energy: -154.515 flat angles C4'-P-C4' energy: -173.021 flat angles P-C4'-P energy: -127.081 tors. eta vs tors. theta energy: -215.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2614.541700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.541700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.541700 (E_RNA) where: Base-Base interactions energy: -1851.846 where: short stacking energy: -789.937 Base-Backbone interact. energy: -5.190 local terms energy: -757.506516 where: bonds (distance) C4'-P energy: -143.943 bonds (distance) P-C4' energy: -139.195 flat angles C4'-P-C4' energy: -164.778 flat angles P-C4'-P energy: -104.451 tors. eta vs tors. theta energy: -205.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2483.798481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.798481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.798481 (E_RNA) where: Base-Base interactions energy: -1727.198 where: short stacking energy: -746.049 Base-Backbone interact. energy: -4.354 local terms energy: -752.246816 where: bonds (distance) C4'-P energy: -142.940 bonds (distance) P-C4' energy: -140.390 flat angles C4'-P-C4' energy: -175.450 flat angles P-C4'-P energy: -104.458 tors. eta vs tors. theta energy: -189.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2318.087628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.087628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.087628 (E_RNA) where: Base-Base interactions energy: -1644.307 where: short stacking energy: -650.264 Base-Backbone interact. energy: -2.592 local terms energy: -671.188510 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -131.363 flat angles C4'-P-C4' energy: -158.576 flat angles P-C4'-P energy: -99.619 tors. eta vs tors. theta energy: -142.157 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: 6, replica: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2304.734851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.734851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.734851 (E_RNA) where: Base-Base interactions energy: -1606.671 where: short stacking energy: -669.122 Base-Backbone interact. energy: -1.091 local terms energy: -696.973488 where: bonds (distance) C4'-P energy: -141.974 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -149.215 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -163.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1963.530094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.530094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.530094 (E_RNA) where: Base-Base interactions energy: -1320.124 where: short stacking energy: -603.043 Base-Backbone interact. energy: -2.556 local terms energy: -640.849803 where: bonds (distance) C4'-P energy: -138.403 bonds (distance) P-C4' energy: -136.694 flat angles C4'-P-C4' energy: -143.468 flat angles P-C4'-P energy: -90.443 tors. eta vs tors. theta energy: -131.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1943.275594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.275594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.275594 (E_RNA) where: Base-Base interactions energy: -1304.451 where: short stacking energy: -562.715 Base-Backbone interact. energy: -2.209 local terms energy: -636.615547 where: bonds (distance) C4'-P energy: -148.004 bonds (distance) P-C4' energy: -140.721 flat angles C4'-P-C4' energy: -119.205 flat angles P-C4'-P energy: -89.411 tors. eta vs tors. theta energy: -139.275 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: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1661.976051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.976051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.976051 (E_RNA) where: Base-Base interactions energy: -1131.204 where: short stacking energy: -501.188 Base-Backbone interact. energy: -2.874 local terms energy: -527.898143 where: bonds (distance) C4'-P energy: -117.439 bonds (distance) P-C4' energy: -126.115 flat angles C4'-P-C4' energy: -134.914 flat angles P-C4'-P energy: -65.802 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1229.039657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.039657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.039657 (E_RNA) where: Base-Base interactions energy: -756.606 where: short stacking energy: -358.647 Base-Backbone interact. energy: 5.416 local terms energy: -477.849398 where: bonds (distance) C4'-P energy: -127.354 bonds (distance) P-C4' energy: -126.946 flat angles C4'-P-C4' energy: -119.665 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -31.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2867.836777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.836777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.836777 (E_RNA) where: Base-Base interactions energy: -2016.720 where: short stacking energy: -858.840 Base-Backbone interact. energy: -3.551 local terms energy: -847.565686 where: bonds (distance) C4'-P energy: -164.261 bonds (distance) P-C4' energy: -148.354 flat angles C4'-P-C4' energy: -183.742 flat angles P-C4'-P energy: -106.562 tors. eta vs tors. theta energy: -244.646 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: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2736.894021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.894021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.894021 (E_RNA) where: Base-Base interactions energy: -1935.724 where: short stacking energy: -806.665 Base-Backbone interact. energy: -6.454 local terms energy: -794.715747 where: bonds (distance) C4'-P energy: -143.180 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -173.242 flat angles P-C4'-P energy: -115.943 tors. eta vs tors. theta energy: -206.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2655.409184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.409184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.409184 (E_RNA) where: Base-Base interactions energy: -1887.665 where: short stacking energy: -801.824 Base-Backbone interact. energy: -7.076 local terms energy: -760.668386 where: bonds (distance) C4'-P energy: -138.352 bonds (distance) P-C4' energy: -147.890 flat angles C4'-P-C4' energy: -162.809 flat angles P-C4'-P energy: -107.010 tors. eta vs tors. theta energy: -204.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2514.988443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.988443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.988443 (E_RNA) where: Base-Base interactions energy: -1734.028 where: short stacking energy: -779.178 Base-Backbone interact. energy: -1.502 local terms energy: -779.457937 where: bonds (distance) C4'-P energy: -147.520 bonds (distance) P-C4' energy: -157.529 flat angles C4'-P-C4' energy: -158.274 flat angles P-C4'-P energy: -105.330 tors. eta vs tors. theta energy: -210.805 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: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2383.790787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.790787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.790787 (E_RNA) where: Base-Base interactions energy: -1665.043 where: short stacking energy: -728.860 Base-Backbone interact. energy: -1.766 local terms energy: -716.981942 where: bonds (distance) C4'-P energy: -132.653 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -158.965 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -170.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2247.155128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.155128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.155128 (E_RNA) where: Base-Base interactions energy: -1572.862 where: short stacking energy: -662.792 Base-Backbone interact. energy: 4.919 local terms energy: -679.212099 where: bonds (distance) C4'-P energy: -141.745 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -151.309 flat angles P-C4'-P energy: -103.580 tors. eta vs tors. theta energy: -159.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2091.512897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.512897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.512897 (E_RNA) where: Base-Base interactions energy: -1444.939 where: short stacking energy: -647.821 Base-Backbone interact. energy: 1.533 local terms energy: -648.107627 where: bonds (distance) C4'-P energy: -147.977 bonds (distance) P-C4' energy: -117.607 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -163.554 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: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1921.779790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.779790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.779790 (E_RNA) where: Base-Base interactions energy: -1320.666 where: short stacking energy: -606.752 Base-Backbone interact. energy: 2.522 local terms energy: -603.636034 where: bonds (distance) C4'-P energy: -128.617 bonds (distance) P-C4' energy: -131.077 flat angles C4'-P-C4' energy: -125.460 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -133.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1716.270422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.270422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.270422 (E_RNA) where: Base-Base interactions energy: -1171.497 where: short stacking energy: -529.408 Base-Backbone interact. energy: 3.156 local terms energy: -547.929791 where: bonds (distance) C4'-P energy: -142.351 bonds (distance) P-C4' energy: -124.901 flat angles C4'-P-C4' energy: -121.990 flat angles P-C4'-P energy: -63.220 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1215.601023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.601023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.601023 (E_RNA) where: Base-Base interactions energy: -732.891 where: short stacking energy: -348.230 Base-Backbone interact. energy: 2.746 local terms energy: -485.456237 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -127.579 flat angles C4'-P-C4' energy: -137.108 flat angles P-C4'-P energy: -83.788 tors. eta vs tors. theta energy: -33.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2872.450431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.450431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.450431 (E_RNA) where: Base-Base interactions energy: -2033.703 where: short stacking energy: -867.971 Base-Backbone interact. energy: -1.635 local terms energy: -837.113230 where: bonds (distance) C4'-P energy: -167.484 bonds (distance) P-C4' energy: -144.524 flat angles C4'-P-C4' energy: -175.452 flat angles P-C4'-P energy: -103.177 tors. eta vs tors. theta energy: -246.476 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: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2736.393848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.393848 (E_RNA) where: Base-Base interactions energy: -1955.309 where: short stacking energy: -794.964 Base-Backbone interact. energy: -2.486 local terms energy: -778.598442 where: bonds (distance) C4'-P energy: -135.764 bonds (distance) P-C4' energy: -143.580 flat angles C4'-P-C4' energy: -186.754 flat angles P-C4'-P energy: -105.310 tors. eta vs tors. theta energy: -207.191 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: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2575.759519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.759519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.759519 (E_RNA) where: Base-Base interactions energy: -1806.923 where: short stacking energy: -785.916 Base-Backbone interact. energy: -2.047 local terms energy: -766.790086 where: bonds (distance) C4'-P energy: -138.953 bonds (distance) P-C4' energy: -140.425 flat angles C4'-P-C4' energy: -159.669 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -205.985 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: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2498.921836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.921836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.921836 (E_RNA) where: Base-Base interactions energy: -1740.204 where: short stacking energy: -765.264 Base-Backbone interact. energy: -2.677 local terms energy: -756.041044 where: bonds (distance) C4'-P energy: -153.609 bonds (distance) P-C4' energy: -135.959 flat angles C4'-P-C4' energy: -162.393 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -201.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2383.897050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.897050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.897050 (E_RNA) where: Base-Base interactions energy: -1673.548 where: short stacking energy: -688.135 Base-Backbone interact. energy: -2.442 local terms energy: -707.906863 where: bonds (distance) C4'-P energy: -136.481 bonds (distance) P-C4' energy: -155.472 flat angles C4'-P-C4' energy: -160.697 flat angles P-C4'-P energy: -88.695 tors. eta vs tors. theta energy: -166.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2214.125843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.125843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.125843 (E_RNA) where: Base-Base interactions energy: -1579.959 where: short stacking energy: -654.063 Base-Backbone interact. energy: 2.058 local terms energy: -636.225572 where: bonds (distance) C4'-P energy: -121.113 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -155.659 flat angles P-C4'-P energy: -90.835 tors. eta vs tors. theta energy: -139.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2030.028185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.028185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.028185 (E_RNA) where: Base-Base interactions energy: -1386.968 where: short stacking energy: -592.668 Base-Backbone interact. energy: -4.648 local terms energy: -638.411547 where: bonds (distance) C4'-P energy: -149.812 bonds (distance) P-C4' energy: -146.759 flat angles C4'-P-C4' energy: -129.503 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -122.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1921.353105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.353105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.353105 (E_RNA) where: Base-Base interactions energy: -1314.748 where: short stacking energy: -582.799 Base-Backbone interact. energy: 1.563 local terms energy: -608.167959 where: bonds (distance) C4'-P energy: -143.284 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -136.856 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -130.283 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: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1662.313637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.313637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.313637 (E_RNA) where: Base-Base interactions energy: -1107.063 where: short stacking energy: -522.559 Base-Backbone interact. energy: -2.189 local terms energy: -553.060852 where: bonds (distance) C4'-P energy: -115.502 bonds (distance) P-C4' energy: -117.726 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -86.489 tors. eta vs tors. theta energy: -96.009 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: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1256.781602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.781602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.781602 (E_RNA) where: Base-Base interactions energy: -784.778 where: short stacking energy: -383.708 Base-Backbone interact. energy: 4.935 local terms energy: -476.939207 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -115.076 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -54.568 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: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2874.301186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.301186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.301186 (E_RNA) where: Base-Base interactions energy: -2011.095 where: short stacking energy: -881.435 Base-Backbone interact. energy: -2.624 local terms energy: -860.582162 where: bonds (distance) C4'-P energy: -164.510 bonds (distance) P-C4' energy: -158.979 flat angles C4'-P-C4' energy: -188.740 flat angles P-C4'-P energy: -117.122 tors. eta vs tors. theta energy: -231.232 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: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2782.667753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.667753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.667753 (E_RNA) where: Base-Base interactions energy: -1944.346 where: short stacking energy: -821.829 Base-Backbone interact. energy: -4.756 local terms energy: -833.565164 where: bonds (distance) C4'-P energy: -140.842 bonds (distance) P-C4' energy: -173.466 flat angles C4'-P-C4' energy: -188.634 flat angles P-C4'-P energy: -118.640 tors. eta vs tors. theta energy: -211.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2618.063767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.063767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.063767 (E_RNA) where: Base-Base interactions energy: -1844.181 where: short stacking energy: -791.756 Base-Backbone interact. energy: 2.056 local terms energy: -775.938344 where: bonds (distance) C4'-P energy: -149.309 bonds (distance) P-C4' energy: -147.996 flat angles C4'-P-C4' energy: -163.152 flat angles P-C4'-P energy: -99.095 tors. eta vs tors. theta energy: -216.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2508.462502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.462502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.462502 (E_RNA) where: Base-Base interactions energy: -1742.888 where: short stacking energy: -716.809 Base-Backbone interact. energy: -1.544 local terms energy: -764.030717 where: bonds (distance) C4'-P energy: -143.356 bonds (distance) P-C4' energy: -137.604 flat angles C4'-P-C4' energy: -181.052 flat angles P-C4'-P energy: -114.330 tors. eta vs tors. theta energy: -187.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2383.236026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.236026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.236026 (E_RNA) where: Base-Base interactions energy: -1692.185 where: short stacking energy: -693.238 Base-Backbone interact. energy: -2.887 local terms energy: -688.164011 where: bonds (distance) C4'-P energy: -128.334 bonds (distance) P-C4' energy: -145.772 flat angles C4'-P-C4' energy: -158.526 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -169.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2240.730757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.730757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.730757 (E_RNA) where: Base-Base interactions energy: -1571.072 where: short stacking energy: -647.296 Base-Backbone interact. energy: -4.312 local terms energy: -665.346731 where: bonds (distance) C4'-P energy: -139.270 bonds (distance) P-C4' energy: -145.378 flat angles C4'-P-C4' energy: -142.419 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -156.445 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: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2042.401503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.401503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.401503 (E_RNA) where: Base-Base interactions energy: -1372.216 where: short stacking energy: -610.780 Base-Backbone interact. energy: -0.040 local terms energy: -670.145877 where: bonds (distance) C4'-P energy: -135.101 bonds (distance) P-C4' energy: -124.441 flat angles C4'-P-C4' energy: -154.423 flat angles P-C4'-P energy: -103.505 tors. eta vs tors. theta energy: -152.677 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1902.257568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.257568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.257568 (E_RNA) where: Base-Base interactions energy: -1299.680 where: short stacking energy: -549.328 Base-Backbone interact. energy: -2.252 local terms energy: -600.325552 where: bonds (distance) C4'-P energy: -133.913 bonds (distance) P-C4' energy: -133.226 flat angles C4'-P-C4' energy: -145.594 flat angles P-C4'-P energy: -66.893 tors. eta vs tors. theta energy: -120.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1631.786817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.786817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.786817 (E_RNA) where: Base-Base interactions energy: -1067.945 where: short stacking energy: -468.305 Base-Backbone interact. energy: 9.403 local terms energy: -573.245672 where: bonds (distance) C4'-P energy: -148.517 bonds (distance) P-C4' energy: -138.218 flat angles C4'-P-C4' energy: -129.744 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -81.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1287.597889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.597889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.597889 (E_RNA) where: Base-Base interactions energy: -785.269 where: short stacking energy: -367.618 Base-Backbone interact. energy: -1.009 local terms energy: -501.320527 where: bonds (distance) C4'-P energy: -116.560 bonds (distance) P-C4' energy: -142.758 flat angles C4'-P-C4' energy: -109.948 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -55.834 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: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2883.889172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.889172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.889172 (E_RNA) where: Base-Base interactions energy: -2028.548 where: short stacking energy: -882.545 Base-Backbone interact. energy: -1.506 local terms energy: -853.834619 where: bonds (distance) C4'-P energy: -158.098 bonds (distance) P-C4' energy: -150.217 flat angles C4'-P-C4' energy: -180.610 flat angles P-C4'-P energy: -126.902 tors. eta vs tors. theta energy: -238.006 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: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2768.877514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.877514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.877514 (E_RNA) where: Base-Base interactions energy: -1936.777 where: short stacking energy: -812.112 Base-Backbone interact. energy: -2.950 local terms energy: -829.149880 where: bonds (distance) C4'-P energy: -144.489 bonds (distance) P-C4' energy: -153.551 flat angles C4'-P-C4' energy: -181.240 flat angles P-C4'-P energy: -142.162 tors. eta vs tors. theta energy: -207.707 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: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2622.780770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.780770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.780770 (E_RNA) where: Base-Base interactions energy: -1827.800 where: short stacking energy: -790.037 Base-Backbone interact. energy: -2.231 local terms energy: -792.750003 where: bonds (distance) C4'-P energy: -156.534 bonds (distance) P-C4' energy: -152.030 flat angles C4'-P-C4' energy: -167.594 flat angles P-C4'-P energy: -109.914 tors. eta vs tors. theta energy: -206.678 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: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2552.193285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.193285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.193285 (E_RNA) where: Base-Base interactions energy: -1770.153 where: short stacking energy: -794.103 Base-Backbone interact. energy: 0.132 local terms energy: -782.172952 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -150.851 flat angles C4'-P-C4' energy: -178.575 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -211.503 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: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2457.501819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.501819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.501819 (E_RNA) where: Base-Base interactions energy: -1718.733 where: short stacking energy: -743.424 Base-Backbone interact. energy: -7.187 local terms energy: -731.582175 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -151.248 flat angles C4'-P-C4' energy: -172.516 flat angles P-C4'-P energy: -103.592 tors. eta vs tors. theta energy: -179.476 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: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2209.032122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.032122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.032122 (E_RNA) where: Base-Base interactions energy: -1584.847 where: short stacking energy: -647.623 Base-Backbone interact. energy: 3.831 local terms energy: -628.016180 where: bonds (distance) C4'-P energy: -137.549 bonds (distance) P-C4' energy: -127.395 flat angles C4'-P-C4' energy: -133.247 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -133.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2046.719677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.719677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.719677 (E_RNA) where: Base-Base interactions energy: -1394.301 where: short stacking energy: -616.741 Base-Backbone interact. energy: -0.998 local terms energy: -651.420185 where: bonds (distance) C4'-P energy: -123.211 bonds (distance) P-C4' energy: -145.174 flat angles C4'-P-C4' energy: -142.654 flat angles P-C4'-P energy: -95.764 tors. eta vs tors. theta energy: -144.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1882.780449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.780449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.780449 (E_RNA) where: Base-Base interactions energy: -1269.701 where: short stacking energy: -552.475 Base-Backbone interact. energy: -2.423 local terms energy: -610.655987 where: bonds (distance) C4'-P energy: -106.793 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -159.316 flat angles P-C4'-P energy: -88.102 tors. eta vs tors. theta energy: -120.017 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: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1682.029651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.029651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.029651 (E_RNA) where: Base-Base interactions energy: -1120.735 where: short stacking energy: -493.514 Base-Backbone interact. energy: -3.405 local terms energy: -557.889199 where: bonds (distance) C4'-P energy: -119.557 bonds (distance) P-C4' energy: -136.138 flat angles C4'-P-C4' energy: -131.315 flat angles P-C4'-P energy: -87.969 tors. eta vs tors. theta energy: -82.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1266.353454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.353454 (E_RNA) where: Base-Base interactions energy: -782.159 where: short stacking energy: -375.343 Base-Backbone interact. energy: 9.492 local terms energy: -493.687101 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -120.101 flat angles C4'-P-C4' energy: -118.087 flat angles P-C4'-P energy: -95.373 tors. eta vs tors. theta energy: -35.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2929.922757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.922757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.922757 (E_RNA) where: Base-Base interactions energy: -2068.104 where: short stacking energy: -900.379 Base-Backbone interact. energy: -2.133 local terms energy: -859.685914 where: bonds (distance) C4'-P energy: -169.558 bonds (distance) P-C4' energy: -145.861 flat angles C4'-P-C4' energy: -187.440 flat angles P-C4'-P energy: -119.852 tors. eta vs tors. theta energy: -236.975 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: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2789.845363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.845363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.845363 (E_RNA) where: Base-Base interactions energy: -1982.709 where: short stacking energy: -822.250 Base-Backbone interact. energy: 0.387 local terms energy: -807.523059 where: bonds (distance) C4'-P energy: -155.482 bonds (distance) P-C4' energy: -157.057 flat angles C4'-P-C4' energy: -163.736 flat angles P-C4'-P energy: -125.316 tors. eta vs tors. theta energy: -205.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2585.402119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.402119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.402119 (E_RNA) where: Base-Base interactions energy: -1793.016 where: short stacking energy: -797.282 Base-Backbone interact. energy: -0.682 local terms energy: -791.704907 where: bonds (distance) C4'-P energy: -141.856 bonds (distance) P-C4' energy: -148.353 flat angles C4'-P-C4' energy: -177.432 flat angles P-C4'-P energy: -107.222 tors. eta vs tors. theta energy: -216.842 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: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2552.873212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.873212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.873212 (E_RNA) where: Base-Base interactions energy: -1781.269 where: short stacking energy: -776.780 Base-Backbone interact. energy: -0.149 local terms energy: -771.455245 where: bonds (distance) C4'-P energy: -149.000 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -175.662 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -192.200 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: 90 Temperature: 1.100000 Total energy: -2396.271323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.271323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.271323 (E_RNA) where: Base-Base interactions energy: -1681.001 where: short stacking energy: -699.113 Base-Backbone interact. energy: 0.787 local terms energy: -716.057735 where: bonds (distance) C4'-P energy: -127.700 bonds (distance) P-C4' energy: -150.493 flat angles C4'-P-C4' energy: -163.783 flat angles P-C4'-P energy: -101.449 tors. eta vs tors. theta energy: -172.633 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: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2217.160419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.160419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.160419 (E_RNA) where: Base-Base interactions energy: -1508.104 where: short stacking energy: -642.179 Base-Backbone interact. energy: 1.441 local terms energy: -710.497452 where: bonds (distance) C4'-P energy: -149.521 bonds (distance) P-C4' energy: -146.787 flat angles C4'-P-C4' energy: -150.247 flat angles P-C4'-P energy: -99.386 tors. eta vs tors. theta energy: -164.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2087.769421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.769421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.769421 (E_RNA) where: Base-Base interactions energy: -1424.522 where: short stacking energy: -643.911 Base-Backbone interact. energy: -2.201 local terms energy: -661.045628 where: bonds (distance) C4'-P energy: -131.543 bonds (distance) P-C4' energy: -120.340 flat angles C4'-P-C4' energy: -147.496 flat angles P-C4'-P energy: -95.007 tors. eta vs tors. theta energy: -166.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1842.337353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.337353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.337353 (E_RNA) where: Base-Base interactions energy: -1248.992 where: short stacking energy: -546.304 Base-Backbone interact. energy: -2.966 local terms energy: -590.379791 where: bonds (distance) C4'-P energy: -128.660 bonds (distance) P-C4' energy: -139.028 flat angles C4'-P-C4' energy: -123.571 flat angles P-C4'-P energy: -90.244 tors. eta vs tors. theta energy: -108.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1659.387893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.387893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.387893 (E_RNA) where: Base-Base interactions energy: -1102.585 where: short stacking energy: -491.829 Base-Backbone interact. energy: -1.692 local terms energy: -555.110173 where: bonds (distance) C4'-P energy: -128.274 bonds (distance) P-C4' energy: -123.569 flat angles C4'-P-C4' energy: -124.446 flat angles P-C4'-P energy: -83.560 tors. eta vs tors. theta energy: -95.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1189.259843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.259843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.259843 (E_RNA) where: Base-Base interactions energy: -699.903 where: short stacking energy: -386.818 Base-Backbone interact. energy: -0.950 local terms energy: -488.407299 where: bonds (distance) C4'-P energy: -120.371 bonds (distance) P-C4' energy: -133.566 flat angles C4'-P-C4' energy: -121.918 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -51.725 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: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2882.520256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.520256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.520256 (E_RNA) where: Base-Base interactions energy: -2042.685 where: short stacking energy: -875.440 Base-Backbone interact. energy: -5.664 local terms energy: -834.171825 where: bonds (distance) C4'-P energy: -154.895 bonds (distance) P-C4' energy: -159.453 flat angles C4'-P-C4' energy: -168.220 flat angles P-C4'-P energy: -114.953 tors. eta vs tors. theta energy: -236.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2760.667752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.667752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.667752 (E_RNA) where: Base-Base interactions energy: -1934.129 where: short stacking energy: -804.731 Base-Backbone interact. energy: -2.337 local terms energy: -824.201919 where: bonds (distance) C4'-P energy: -166.097 bonds (distance) P-C4' energy: -149.962 flat angles C4'-P-C4' energy: -173.815 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -215.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2557.849536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.849536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.849536 (E_RNA) where: Base-Base interactions energy: -1790.760 where: short stacking energy: -770.136 Base-Backbone interact. energy: -2.864 local terms energy: -764.225789 where: bonds (distance) C4'-P energy: -140.037 bonds (distance) P-C4' energy: -149.965 flat angles C4'-P-C4' energy: -184.439 flat angles P-C4'-P energy: -92.955 tors. eta vs tors. theta energy: -196.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2530.342847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.342847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.342847 (E_RNA) where: Base-Base interactions energy: -1774.048 where: short stacking energy: -738.119 Base-Backbone interact. energy: 0.191 local terms energy: -756.485279 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -148.416 flat angles C4'-P-C4' energy: -166.745 flat angles P-C4'-P energy: -118.850 tors. eta vs tors. theta energy: -179.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2481.866654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.866654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.866654 (E_RNA) where: Base-Base interactions energy: -1749.103 where: short stacking energy: -754.229 Base-Backbone interact. energy: -3.229 local terms energy: -729.534887 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -146.374 flat angles C4'-P-C4' energy: -161.387 flat angles P-C4'-P energy: -87.593 tors. eta vs tors. theta energy: -197.694 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: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2186.016666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.016666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.016666 (E_RNA) where: Base-Base interactions energy: -1506.566 where: short stacking energy: -645.401 Base-Backbone interact. energy: -3.882 local terms energy: -675.569537 where: bonds (distance) C4'-P energy: -144.107 bonds (distance) P-C4' energy: -154.044 flat angles C4'-P-C4' energy: -133.065 flat angles P-C4'-P energy: -97.881 tors. eta vs tors. theta energy: -146.473 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: 91 Temperature: 1.200000 Total energy: -2101.545348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.545348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.545348 (E_RNA) where: Base-Base interactions energy: -1441.043 where: short stacking energy: -670.264 Base-Backbone interact. energy: -0.399 local terms energy: -660.103519 where: bonds (distance) C4'-P energy: -126.610 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -150.049 flat angles P-C4'-P energy: -100.838 tors. eta vs tors. theta energy: -150.109 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: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1850.024209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.024209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.024209 (E_RNA) where: Base-Base interactions energy: -1271.832 where: short stacking energy: -571.248 Base-Backbone interact. energy: -0.302 local terms energy: -577.889882 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -137.869 flat angles C4'-P-C4' energy: -123.279 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -124.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1582.381696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.381696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.381696 (E_RNA) where: Base-Base interactions energy: -1008.194 where: short stacking energy: -466.415 Base-Backbone interact. energy: -2.466 local terms energy: -571.722110 where: bonds (distance) C4'-P energy: -134.139 bonds (distance) P-C4' energy: -137.846 flat angles C4'-P-C4' energy: -124.184 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -109.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1165.907621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.907621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.907621 (E_RNA) where: Base-Base interactions energy: -700.452 where: short stacking energy: -338.968 Base-Backbone interact. energy: -4.410 local terms energy: -461.045409 where: bonds (distance) C4'-P energy: -126.238 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -118.555 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -8.531 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: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2871.174417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.174417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.174417 (E_RNA) where: Base-Base interactions energy: -2028.810 where: short stacking energy: -866.383 Base-Backbone interact. energy: -3.004 local terms energy: -839.360508 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -161.612 flat angles C4'-P-C4' energy: -184.742 flat angles P-C4'-P energy: -110.196 tors. eta vs tors. theta energy: -232.103 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: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2766.732039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.732039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.732039 (E_RNA) where: Base-Base interactions energy: -1970.943 where: short stacking energy: -799.593 Base-Backbone interact. energy: -2.701 local terms energy: -793.088199 where: bonds (distance) C4'-P energy: -141.668 bonds (distance) P-C4' energy: -158.687 flat angles C4'-P-C4' energy: -171.192 flat angles P-C4'-P energy: -118.373 tors. eta vs tors. theta energy: -203.168 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: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2582.022128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.022128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.022128 (E_RNA) where: Base-Base interactions energy: -1788.479 where: short stacking energy: -769.794 Base-Backbone interact. energy: 0.101 local terms energy: -793.643734 where: bonds (distance) C4'-P energy: -135.807 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -177.426 flat angles P-C4'-P energy: -108.387 tors. eta vs tors. theta energy: -209.068 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: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2527.828370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.828370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.828370 (E_RNA) where: Base-Base interactions energy: -1817.345 where: short stacking energy: -736.405 Base-Backbone interact. energy: 1.049 local terms energy: -711.532482 where: bonds (distance) C4'-P energy: -136.873 bonds (distance) P-C4' energy: -138.693 flat angles C4'-P-C4' energy: -161.275 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -185.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2464.186996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.186996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.186996 (E_RNA) where: Base-Base interactions energy: -1705.378 where: short stacking energy: -753.795 Base-Backbone interact. energy: -4.378 local terms energy: -754.430980 where: bonds (distance) C4'-P energy: -148.783 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -166.261 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -199.542 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: 92 Temperature: 1.150000 Total energy: -2161.924877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.924877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.924877 (E_RNA) where: Base-Base interactions energy: -1500.667 where: short stacking energy: -641.866 Base-Backbone interact. energy: -0.652 local terms energy: -660.605090 where: bonds (distance) C4'-P energy: -130.846 bonds (distance) P-C4' energy: -150.084 flat angles C4'-P-C4' energy: -167.884 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -138.293 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: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2056.755474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.755474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.755474 (E_RNA) where: Base-Base interactions energy: -1406.851 where: short stacking energy: -625.269 Base-Backbone interact. energy: -0.092 local terms energy: -649.812301 where: bonds (distance) C4'-P energy: -130.194 bonds (distance) P-C4' energy: -129.655 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -101.393 tors. eta vs tors. theta energy: -151.612 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: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1833.190299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.190299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.190299 (E_RNA) where: Base-Base interactions energy: -1219.132 where: short stacking energy: -542.636 Base-Backbone interact. energy: -0.136 local terms energy: -613.922476 where: bonds (distance) C4'-P energy: -120.790 bonds (distance) P-C4' energy: -125.282 flat angles C4'-P-C4' energy: -145.643 flat angles P-C4'-P energy: -89.915 tors. eta vs tors. theta energy: -132.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1600.815560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.815560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.815560 (E_RNA) where: Base-Base interactions energy: -1068.996 where: short stacking energy: -469.874 Base-Backbone interact. energy: 10.162 local terms energy: -541.981828 where: bonds (distance) C4'-P energy: -126.376 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -132.838 flat angles P-C4'-P energy: -63.208 tors. eta vs tors. theta energy: -75.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1199.840503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.840503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.840503 (E_RNA) where: Base-Base interactions energy: -756.682 where: short stacking energy: -383.807 Base-Backbone interact. energy: -0.444 local terms energy: -442.715270 where: bonds (distance) C4'-P energy: -114.991 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -112.441 flat angles P-C4'-P energy: -43.142 tors. eta vs tors. theta energy: -50.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2904.102478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.102478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.102478 (E_RNA) where: Base-Base interactions energy: -2055.291 where: short stacking energy: -864.207 Base-Backbone interact. energy: -4.814 local terms energy: -843.996979 where: bonds (distance) C4'-P energy: -162.823 bonds (distance) P-C4' energy: -157.734 flat angles C4'-P-C4' energy: -179.706 flat angles P-C4'-P energy: -118.350 tors. eta vs tors. theta energy: -225.384 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: 2, replica: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2808.335938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.335938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.335938 (E_RNA) where: Base-Base interactions energy: -1982.731 where: short stacking energy: -834.059 Base-Backbone interact. energy: -4.876 local terms energy: -820.729627 where: bonds (distance) C4'-P energy: -158.104 bonds (distance) P-C4' energy: -160.232 flat angles C4'-P-C4' energy: -176.218 flat angles P-C4'-P energy: -114.736 tors. eta vs tors. theta energy: -211.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2583.557609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.557609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.557609 (E_RNA) where: Base-Base interactions energy: -1764.257 where: short stacking energy: -771.351 Base-Backbone interact. energy: -3.093 local terms energy: -816.208096 where: bonds (distance) C4'-P energy: -144.714 bonds (distance) P-C4' energy: -175.445 flat angles C4'-P-C4' energy: -170.961 flat angles P-C4'-P energy: -118.154 tors. eta vs tors. theta energy: -206.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2505.180849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.180849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.180849 (E_RNA) where: Base-Base interactions energy: -1789.948 where: short stacking energy: -747.566 Base-Backbone interact. energy: -1.799 local terms energy: -713.433725 where: bonds (distance) C4'-P energy: -127.593 bonds (distance) P-C4' energy: -143.471 flat angles C4'-P-C4' energy: -154.738 flat angles P-C4'-P energy: -111.310 tors. eta vs tors. theta energy: -176.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2459.766603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.766603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.766603 (E_RNA) where: Base-Base interactions energy: -1720.429 where: short stacking energy: -778.373 Base-Backbone interact. energy: 5.591 local terms energy: -744.927771 where: bonds (distance) C4'-P energy: -133.152 bonds (distance) P-C4' energy: -141.253 flat angles C4'-P-C4' energy: -168.302 flat angles P-C4'-P energy: -99.351 tors. eta vs tors. theta energy: -202.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2228.240280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.240280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.240280 (E_RNA) where: Base-Base interactions energy: -1554.273 where: short stacking energy: -667.916 Base-Backbone interact. energy: -1.942 local terms energy: -672.026028 where: bonds (distance) C4'-P energy: -130.755 bonds (distance) P-C4' energy: -136.324 flat angles C4'-P-C4' energy: -144.318 flat angles P-C4'-P energy: -103.746 tors. eta vs tors. theta energy: -156.882 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: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2072.531054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.531054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.531054 (E_RNA) where: Base-Base interactions energy: -1402.833 where: short stacking energy: -637.222 Base-Backbone interact. energy: -4.206 local terms energy: -665.491607 where: bonds (distance) C4'-P energy: -132.048 bonds (distance) P-C4' energy: -114.804 flat angles C4'-P-C4' energy: -164.972 flat angles P-C4'-P energy: -98.821 tors. eta vs tors. theta energy: -154.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1930.764069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.764069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.764069 (E_RNA) where: Base-Base interactions energy: -1297.783 where: short stacking energy: -583.080 Base-Backbone interact. energy: 4.481 local terms energy: -637.461628 where: bonds (distance) C4'-P energy: -128.027 bonds (distance) P-C4' energy: -136.696 flat angles C4'-P-C4' energy: -163.195 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -130.555 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: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1615.233233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.233233 (E_RNA) where: Base-Base interactions energy: -1047.453 where: short stacking energy: -483.214 Base-Backbone interact. energy: 0.133 local terms energy: -567.912885 where: bonds (distance) C4'-P energy: -133.833 bonds (distance) P-C4' energy: -131.551 flat angles C4'-P-C4' energy: -148.342 flat angles P-C4'-P energy: -79.495 tors. eta vs tors. theta energy: -74.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1224.763156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.763156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.763156 (E_RNA) where: Base-Base interactions energy: -741.919 where: short stacking energy: -362.144 Base-Backbone interact. energy: 4.354 local terms energy: -487.197428 where: bonds (distance) C4'-P energy: -106.965 bonds (distance) P-C4' energy: -139.976 flat angles C4'-P-C4' energy: -135.685 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: -46.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2912.182330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.182330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.182330 (E_RNA) where: Base-Base interactions energy: -2049.495 where: short stacking energy: -847.210 Base-Backbone interact. energy: -3.247 local terms energy: -859.439679 where: bonds (distance) C4'-P energy: -161.878 bonds (distance) P-C4' energy: -161.503 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -135.392 tors. eta vs tors. theta energy: -228.848 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: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2756.188275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.188275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.188275 (E_RNA) where: Base-Base interactions energy: -1946.396 where: short stacking energy: -784.322 Base-Backbone interact. energy: 1.923 local terms energy: -811.715599 where: bonds (distance) C4'-P energy: -165.342 bonds (distance) P-C4' energy: -149.320 flat angles C4'-P-C4' energy: -179.301 flat angles P-C4'-P energy: -125.290 tors. eta vs tors. theta energy: -192.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2574.352490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.352490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.352490 (E_RNA) where: Base-Base interactions energy: -1799.929 where: short stacking energy: -782.472 Base-Backbone interact. energy: -3.071 local terms energy: -771.352423 where: bonds (distance) C4'-P energy: -146.628 bonds (distance) P-C4' energy: -146.374 flat angles C4'-P-C4' energy: -163.936 flat angles P-C4'-P energy: -104.645 tors. eta vs tors. theta energy: -209.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2468.537734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.537734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.537734 (E_RNA) where: Base-Base interactions energy: -1748.943 where: short stacking energy: -754.173 Base-Backbone interact. energy: 6.920 local terms energy: -726.514601 where: bonds (distance) C4'-P energy: -132.904 bonds (distance) P-C4' energy: -142.883 flat angles C4'-P-C4' energy: -164.765 flat angles P-C4'-P energy: -102.093 tors. eta vs tors. theta energy: -183.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2491.324881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.324881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.324881 (E_RNA) where: Base-Base interactions energy: -1743.249 where: short stacking energy: -747.942 Base-Backbone interact. energy: -1.783 local terms energy: -746.292707 where: bonds (distance) C4'-P energy: -152.030 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -169.737 flat angles P-C4'-P energy: -92.012 tors. eta vs tors. theta energy: -189.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2196.725894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.725894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.725894 (E_RNA) where: Base-Base interactions energy: -1529.282 where: short stacking energy: -669.650 Base-Backbone interact. energy: 5.996 local terms energy: -673.439478 where: bonds (distance) C4'-P energy: -129.938 bonds (distance) P-C4' energy: -137.023 flat angles C4'-P-C4' energy: -151.229 flat angles P-C4'-P energy: -106.034 tors. eta vs tors. theta energy: -149.215 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: 94 Temperature: 1.200000 Total energy: -2044.464048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.464048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.464048 (E_RNA) where: Base-Base interactions energy: -1442.529 where: short stacking energy: -630.738 Base-Backbone interact. energy: 1.658 local terms energy: -603.592258 where: bonds (distance) C4'-P energy: -112.813 bonds (distance) P-C4' energy: -116.621 flat angles C4'-P-C4' energy: -147.495 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -142.209 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: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1871.283424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.283424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.283424 (E_RNA) where: Base-Base interactions energy: -1260.471 where: short stacking energy: -562.096 Base-Backbone interact. energy: 2.318 local terms energy: -613.129971 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -135.719 flat angles C4'-P-C4' energy: -147.928 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -123.696 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: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1692.421059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.421059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.421059 (E_RNA) where: Base-Base interactions energy: -1101.619 where: short stacking energy: -497.876 Base-Backbone interact. energy: -1.867 local terms energy: -588.935152 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -158.806 flat angles C4'-P-C4' energy: -144.441 flat angles P-C4'-P energy: -74.810 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: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1275.516127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.516127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.516127 (E_RNA) where: Base-Base interactions energy: -770.608 where: short stacking energy: -379.206 Base-Backbone interact. energy: 8.534 local terms energy: -513.441984 where: bonds (distance) C4'-P energy: -133.703 bonds (distance) P-C4' energy: -119.994 flat angles C4'-P-C4' energy: -125.660 flat angles P-C4'-P energy: -80.305 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: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2881.942687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.942687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.942687 (E_RNA) where: Base-Base interactions energy: -2032.555 where: short stacking energy: -861.579 Base-Backbone interact. energy: -3.268 local terms energy: -846.119518 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -164.699 flat angles C4'-P-C4' energy: -184.614 flat angles P-C4'-P energy: -114.912 tors. eta vs tors. theta energy: -229.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2786.194014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.194014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.194014 (E_RNA) where: Base-Base interactions energy: -1956.756 where: short stacking energy: -802.928 Base-Backbone interact. energy: -1.062 local terms energy: -828.376204 where: bonds (distance) C4'-P energy: -158.633 bonds (distance) P-C4' energy: -162.193 flat angles C4'-P-C4' energy: -183.227 flat angles P-C4'-P energy: -120.830 tors. eta vs tors. theta energy: -203.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2602.971491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.971491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.971491 (E_RNA) where: Base-Base interactions energy: -1824.780 where: short stacking energy: -814.590 Base-Backbone interact. energy: 0.748 local terms energy: -778.939990 where: bonds (distance) C4'-P energy: -149.262 bonds (distance) P-C4' energy: -163.917 flat angles C4'-P-C4' energy: -164.830 flat angles P-C4'-P energy: -103.231 tors. eta vs tors. theta energy: -197.700 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: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2465.766082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.766082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.766082 (E_RNA) where: Base-Base interactions energy: -1743.993 where: short stacking energy: -729.032 Base-Backbone interact. energy: 2.076 local terms energy: -723.848994 where: bonds (distance) C4'-P energy: -137.306 bonds (distance) P-C4' energy: -138.192 flat angles C4'-P-C4' energy: -168.812 flat angles P-C4'-P energy: -102.124 tors. eta vs tors. theta energy: -177.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2457.181960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.181960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.181960 (E_RNA) where: Base-Base interactions energy: -1749.507 where: short stacking energy: -747.052 Base-Backbone interact. energy: -2.347 local terms energy: -705.327807 where: bonds (distance) C4'-P energy: -139.121 bonds (distance) P-C4' energy: -127.101 flat angles C4'-P-C4' energy: -161.172 flat angles P-C4'-P energy: -98.420 tors. eta vs tors. theta energy: -179.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2236.259583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.259583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.259583 (E_RNA) where: Base-Base interactions energy: -1588.769 where: short stacking energy: -684.839 Base-Backbone interact. energy: -2.221 local terms energy: -645.269645 where: bonds (distance) C4'-P energy: -131.887 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2106.105858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.105858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.105858 (E_RNA) where: Base-Base interactions energy: -1450.609 where: short stacking energy: -645.558 Base-Backbone interact. energy: 0.455 local terms energy: -655.951771 where: bonds (distance) C4'-P energy: -142.602 bonds (distance) P-C4' energy: -124.113 flat angles C4'-P-C4' energy: -138.386 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -158.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1881.126941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.126941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.126941 (E_RNA) where: Base-Base interactions energy: -1258.027 where: short stacking energy: -527.521 Base-Backbone interact. energy: 1.332 local terms energy: -624.432000 where: bonds (distance) C4'-P energy: -123.960 bonds (distance) P-C4' energy: -150.861 flat angles C4'-P-C4' energy: -140.154 flat angles P-C4'-P energy: -90.188 tors. eta vs tors. theta energy: -119.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1673.062733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.062733 (E_RNA) where: Base-Base interactions energy: -1131.998 where: short stacking energy: -514.521 Base-Backbone interact. energy: 1.132 local terms energy: -542.197402 where: bonds (distance) C4'-P energy: -106.526 bonds (distance) P-C4' energy: -132.293 flat angles C4'-P-C4' energy: -119.341 flat angles P-C4'-P energy: -91.223 tors. eta vs tors. theta energy: -92.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1302.312368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.312368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.312368 (E_RNA) where: Base-Base interactions energy: -828.447 where: short stacking energy: -384.732 Base-Backbone interact. energy: 5.953 local terms energy: -479.818980 where: bonds (distance) C4'-P energy: -120.363 bonds (distance) P-C4' energy: -109.639 flat angles C4'-P-C4' energy: -124.666 flat angles P-C4'-P energy: -76.477 tors. eta vs tors. theta energy: -48.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2932.237997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.237997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.237997 (E_RNA) where: Base-Base interactions energy: -2056.440 where: short stacking energy: -898.697 Base-Backbone interact. energy: -2.788 local terms energy: -873.009809 where: bonds (distance) C4'-P energy: -160.619 bonds (distance) P-C4' energy: -166.272 flat angles C4'-P-C4' energy: -192.611 flat angles P-C4'-P energy: -111.894 tors. eta vs tors. theta energy: -241.614 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2741.869985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.869985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.869985 (E_RNA) where: Base-Base interactions energy: -1952.689 where: short stacking energy: -818.800 Base-Backbone interact. energy: 1.946 local terms energy: -791.127230 where: bonds (distance) C4'-P energy: -146.755 bonds (distance) P-C4' energy: -149.404 flat angles C4'-P-C4' energy: -163.971 flat angles P-C4'-P energy: -120.129 tors. eta vs tors. theta energy: -210.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2666.958444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.958444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.958444 (E_RNA) where: Base-Base interactions energy: -1887.506 where: short stacking energy: -804.896 Base-Backbone interact. energy: -4.422 local terms energy: -775.029836 where: bonds (distance) C4'-P energy: -137.043 bonds (distance) P-C4' energy: -157.031 flat angles C4'-P-C4' energy: -175.730 flat angles P-C4'-P energy: -91.671 tors. eta vs tors. theta energy: -213.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2502.928921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.928921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.928921 (E_RNA) where: Base-Base interactions energy: -1762.509 where: short stacking energy: -694.692 Base-Backbone interact. energy: 4.016 local terms energy: -744.435926 where: bonds (distance) C4'-P energy: -143.369 bonds (distance) P-C4' energy: -150.369 flat angles C4'-P-C4' energy: -181.886 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -163.905 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: 9 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2465.508750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.508750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.508750 (E_RNA) where: Base-Base interactions energy: -1781.679 where: short stacking energy: -781.032 Base-Backbone interact. energy: -2.399 local terms energy: -681.430344 where: bonds (distance) C4'-P energy: -131.704 bonds (distance) P-C4' energy: -114.353 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -187.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2297.669598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.669598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.669598 (E_RNA) where: Base-Base interactions energy: -1592.467 where: short stacking energy: -659.329 Base-Backbone interact. energy: -5.281 local terms energy: -699.921072 where: bonds (distance) C4'-P energy: -143.679 bonds (distance) P-C4' energy: -134.343 flat angles C4'-P-C4' energy: -168.628 flat angles P-C4'-P energy: -100.140 tors. eta vs tors. theta energy: -153.131 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: 96 Temperature: 1.200000 Total energy: -2096.443382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.443382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.443382 (E_RNA) where: Base-Base interactions energy: -1428.293 where: short stacking energy: -661.693 Base-Backbone interact. energy: 3.298 local terms energy: -671.448131 where: bonds (distance) C4'-P energy: -133.225 bonds (distance) P-C4' energy: -135.418 flat angles C4'-P-C4' energy: -142.929 flat angles P-C4'-P energy: -101.893 tors. eta vs tors. theta energy: -157.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1950.767061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.767061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.767061 (E_RNA) where: Base-Base interactions energy: -1300.608 where: short stacking energy: -559.352 Base-Backbone interact. energy: 2.714 local terms energy: -652.872589 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -160.775 flat angles C4'-P-C4' energy: -145.199 flat angles P-C4'-P energy: -82.673 tors. eta vs tors. theta energy: -130.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1615.576917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.576917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.576917 (E_RNA) where: Base-Base interactions energy: -1059.154 where: short stacking energy: -477.038 Base-Backbone interact. energy: -2.387 local terms energy: -554.035579 where: bonds (distance) C4'-P energy: -119.078 bonds (distance) P-C4' energy: -129.861 flat angles C4'-P-C4' energy: -136.384 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -99.022 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: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1332.334438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.334438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.334438 (E_RNA) where: Base-Base interactions energy: -835.386 where: short stacking energy: -406.383 Base-Backbone interact. energy: -3.659 local terms energy: -493.289302 where: bonds (distance) C4'-P energy: -101.870 bonds (distance) P-C4' energy: -142.069 flat angles C4'-P-C4' energy: -122.637 flat angles P-C4'-P energy: -78.132 tors. eta vs tors. theta energy: -48.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2855.612467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.612467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.612467 (E_RNA) where: Base-Base interactions energy: -2025.116 where: short stacking energy: -864.879 Base-Backbone interact. energy: -2.233 local terms energy: -828.262825 where: bonds (distance) C4'-P energy: -151.044 bonds (distance) P-C4' energy: -146.704 flat angles C4'-P-C4' energy: -177.540 flat angles P-C4'-P energy: -124.081 tors. eta vs tors. theta energy: -228.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2774.438380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.438380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.438380 (E_RNA) where: Base-Base interactions energy: -1939.524 where: short stacking energy: -820.206 Base-Backbone interact. energy: -4.030 local terms energy: -830.884383 where: bonds (distance) C4'-P energy: -145.161 bonds (distance) P-C4' energy: -165.229 flat angles C4'-P-C4' energy: -182.293 flat angles P-C4'-P energy: -123.302 tors. eta vs tors. theta energy: -214.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2691.952394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.952394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.952394 (E_RNA) where: Base-Base interactions energy: -1871.189 where: short stacking energy: -823.544 Base-Backbone interact. energy: -2.483 local terms energy: -818.280877 where: bonds (distance) C4'-P energy: -149.394 bonds (distance) P-C4' energy: -159.975 flat angles C4'-P-C4' energy: -186.134 flat angles P-C4'-P energy: -106.186 tors. eta vs tors. theta energy: -216.592 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: 97 Temperature: 1.050000 Total energy: -2500.154983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.154983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.154983 (E_RNA) where: Base-Base interactions energy: -1755.245 where: short stacking energy: -725.020 Base-Backbone interact. energy: -0.701 local terms energy: -744.209047 where: bonds (distance) C4'-P energy: -135.155 bonds (distance) P-C4' energy: -152.184 flat angles C4'-P-C4' energy: -177.058 flat angles P-C4'-P energy: -98.709 tors. eta vs tors. theta energy: -181.103 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: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2482.315171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.315171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.315171 (E_RNA) where: Base-Base interactions energy: -1774.810 where: short stacking energy: -755.231 Base-Backbone interact. energy: -1.286 local terms energy: -706.219104 where: bonds (distance) C4'-P energy: -125.449 bonds (distance) P-C4' energy: -118.327 flat angles C4'-P-C4' energy: -168.541 flat angles P-C4'-P energy: -93.228 tors. eta vs tors. theta energy: -200.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2256.233272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.233272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.233272 (E_RNA) where: Base-Base interactions energy: -1565.763 where: short stacking energy: -689.816 Base-Backbone interact. energy: 0.338 local terms energy: -690.808023 where: bonds (distance) C4'-P energy: -133.456 bonds (distance) P-C4' energy: -146.164 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -165.517 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: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2195.637343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.637343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.637343 (E_RNA) where: Base-Base interactions energy: -1507.120 where: short stacking energy: -686.420 Base-Backbone interact. energy: -2.361 local terms energy: -686.156550 where: bonds (distance) C4'-P energy: -121.215 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -152.433 flat angles P-C4'-P energy: -81.245 tors. eta vs tors. theta energy: -183.995 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: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1992.436619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.436619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.436619 (E_RNA) where: Base-Base interactions energy: -1386.760 where: short stacking energy: -575.183 Base-Backbone interact. energy: -3.126 local terms energy: -602.550396 where: bonds (distance) C4'-P energy: -127.677 bonds (distance) P-C4' energy: -108.969 flat angles C4'-P-C4' energy: -140.535 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: -130.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1641.345177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.345177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.345177 (E_RNA) where: Base-Base interactions energy: -1089.881 where: short stacking energy: -532.605 Base-Backbone interact. energy: 1.393 local terms energy: -552.857309 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -135.853 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -74.320 tors. eta vs tors. theta energy: -100.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1334.169392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.169392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.169392 (E_RNA) where: Base-Base interactions energy: -844.029 where: short stacking energy: -407.710 Base-Backbone interact. energy: 4.703 local terms energy: -494.842558 where: bonds (distance) C4'-P energy: -124.677 bonds (distance) P-C4' energy: -128.336 flat angles C4'-P-C4' energy: -131.703 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: -53.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2854.609619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.609619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.609619 (E_RNA) where: Base-Base interactions energy: -2014.370 where: short stacking energy: -844.650 Base-Backbone interact. energy: -1.393 local terms energy: -838.845652 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -161.914 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -124.114 tors. eta vs tors. theta energy: -228.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2751.065274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.065274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.065274 (E_RNA) where: Base-Base interactions energy: -1954.592 where: short stacking energy: -836.861 Base-Backbone interact. energy: 0.693 local terms energy: -797.165612 where: bonds (distance) C4'-P energy: -140.532 bonds (distance) P-C4' energy: -140.169 flat angles C4'-P-C4' energy: -179.991 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -216.859 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: 98 Temperature: 1.000000 Total energy: -2696.351292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.351292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.351292 (E_RNA) where: Base-Base interactions energy: -1891.023 where: short stacking energy: -818.839 Base-Backbone interact. energy: -1.011 local terms energy: -804.318134 where: bonds (distance) C4'-P energy: -152.595 bonds (distance) P-C4' energy: -139.520 flat angles C4'-P-C4' energy: -173.737 flat angles P-C4'-P energy: -121.656 tors. eta vs tors. theta energy: -216.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2446.912860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.912860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.912860 (E_RNA) where: Base-Base interactions energy: -1690.246 where: short stacking energy: -703.528 Base-Backbone interact. energy: -4.216 local terms energy: -752.450543 where: bonds (distance) C4'-P energy: -137.784 bonds (distance) P-C4' energy: -149.879 flat angles C4'-P-C4' energy: -168.774 flat angles P-C4'-P energy: -107.309 tors. eta vs tors. theta energy: -188.705 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: 9 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2510.618476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.618476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.618476 (E_RNA) where: Base-Base interactions energy: -1749.633 where: short stacking energy: -724.270 Base-Backbone interact. energy: -2.929 local terms energy: -758.056765 where: bonds (distance) C4'-P energy: -146.504 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -161.794 flat angles P-C4'-P energy: -102.167 tors. eta vs tors. theta energy: -193.181 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: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2187.011354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.011354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.011354 (E_RNA) where: Base-Base interactions energy: -1500.735 where: short stacking energy: -648.729 Base-Backbone interact. energy: -3.855 local terms energy: -682.422200 where: bonds (distance) C4'-P energy: -124.038 bonds (distance) P-C4' energy: -154.396 flat angles C4'-P-C4' energy: -143.164 flat angles P-C4'-P energy: -96.282 tors. eta vs tors. theta energy: -164.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2083.965069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.965069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.965069 (E_RNA) where: Base-Base interactions energy: -1435.406 where: short stacking energy: -635.658 Base-Backbone interact. energy: -0.617 local terms energy: -647.941579 where: bonds (distance) C4'-P energy: -121.994 bonds (distance) P-C4' energy: -132.905 flat angles C4'-P-C4' energy: -152.688 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -143.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1926.324696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.324696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.324696 (E_RNA) where: Base-Base interactions energy: -1315.786 where: short stacking energy: -571.364 Base-Backbone interact. energy: -1.327 local terms energy: -609.211042 where: bonds (distance) C4'-P energy: -126.136 bonds (distance) P-C4' energy: -150.634 flat angles C4'-P-C4' energy: -139.486 flat angles P-C4'-P energy: -82.617 tors. eta vs tors. theta energy: -110.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1625.092601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.092601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.092601 (E_RNA) where: Base-Base interactions energy: -1052.116 where: short stacking energy: -479.085 Base-Backbone interact. energy: 3.413 local terms energy: -576.389471 where: bonds (distance) C4'-P energy: -126.551 bonds (distance) P-C4' energy: -135.083 flat angles C4'-P-C4' energy: -144.604 flat angles P-C4'-P energy: -79.245 tors. eta vs tors. theta energy: -90.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1413.259938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.259938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.259938 (E_RNA) where: Base-Base interactions energy: -930.017 where: short stacking energy: -426.349 Base-Backbone interact. energy: 5.266 local terms energy: -488.508531 where: bonds (distance) C4'-P energy: -103.177 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -142.228 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -51.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2888.185207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.185207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.185207 (E_RNA) where: Base-Base interactions energy: -2030.679 where: short stacking energy: -854.956 Base-Backbone interact. energy: -3.229 local terms energy: -854.277079 where: bonds (distance) C4'-P energy: -155.396 bonds (distance) P-C4' energy: -173.230 flat angles C4'-P-C4' energy: -180.731 flat angles P-C4'-P energy: -114.919 tors. eta vs tors. theta energy: -230.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2778.648290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.648290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.648290 (E_RNA) where: Base-Base interactions energy: -1949.512 where: short stacking energy: -810.794 Base-Backbone interact. energy: -2.544 local terms energy: -826.591853 where: bonds (distance) C4'-P energy: -151.581 bonds (distance) P-C4' energy: -160.354 flat angles C4'-P-C4' energy: -174.716 flat angles P-C4'-P energy: -123.688 tors. eta vs tors. theta energy: -216.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2695.880289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.880289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.880289 (E_RNA) where: Base-Base interactions energy: -1874.578 where: short stacking energy: -824.624 Base-Backbone interact. energy: -0.606 local terms energy: -820.696421 where: bonds (distance) C4'-P energy: -171.667 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -178.471 flat angles P-C4'-P energy: -113.394 tors. eta vs tors. theta energy: -207.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2593.351183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.351183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.351183 (E_RNA) where: Base-Base interactions energy: -1823.420 where: short stacking energy: -790.816 Base-Backbone interact. energy: -0.154 local terms energy: -769.776353 where: bonds (distance) C4'-P energy: -142.440 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -173.337 flat angles P-C4'-P energy: -106.298 tors. eta vs tors. theta energy: -199.879 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: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2380.731294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.731294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.731294 (E_RNA) where: Base-Base interactions energy: -1650.926 where: short stacking energy: -690.182 Base-Backbone interact. energy: -4.583 local terms energy: -725.222150 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -155.107 flat angles P-C4'-P energy: -108.111 tors. eta vs tors. theta energy: -179.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2233.471109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.471109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.471109 (E_RNA) where: Base-Base interactions energy: -1549.657 where: short stacking energy: -672.526 Base-Backbone interact. energy: 1.992 local terms energy: -685.805560 where: bonds (distance) C4'-P energy: -135.243 bonds (distance) P-C4' energy: -153.239 flat angles C4'-P-C4' energy: -157.329 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -147.212 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: 99 Temperature: 1.200000 Total energy: -2113.305627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.305627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.305627 (E_RNA) where: Base-Base interactions energy: -1456.970 where: short stacking energy: -658.814 Base-Backbone interact. energy: -2.831 local terms energy: -653.504587 where: bonds (distance) C4'-P energy: -125.907 bonds (distance) P-C4' energy: -145.342 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -156.658 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: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1893.626262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.626262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.626262 (E_RNA) where: Base-Base interactions energy: -1283.231 where: short stacking energy: -551.739 Base-Backbone interact. energy: -7.304 local terms energy: -603.091230 where: bonds (distance) C4'-P energy: -123.430 bonds (distance) P-C4' energy: -146.347 flat angles C4'-P-C4' energy: -143.308 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -103.935 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: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1641.738557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.738557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.738557 (E_RNA) where: Base-Base interactions energy: -1097.054 where: short stacking energy: -505.349 Base-Backbone interact. energy: 1.430 local terms energy: -546.114181 where: bonds (distance) C4'-P energy: -97.793 bonds (distance) P-C4' energy: -151.451 flat angles C4'-P-C4' energy: -122.651 flat angles P-C4'-P energy: -79.504 tors. eta vs tors. theta energy: -94.715 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1370.076441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.076441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.076441 (E_RNA) where: Base-Base interactions energy: -884.239 where: short stacking energy: -390.739 Base-Backbone interact. energy: 1.901 local terms energy: -487.739149 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -134.017 flat angles C4'-P-C4' energy: -116.362 flat angles P-C4'-P energy: -70.501 tors. eta vs tors. theta energy: -40.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2886.827256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.827256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.827256 (E_RNA) where: Base-Base interactions energy: -2043.849 where: short stacking energy: -874.390 Base-Backbone interact. energy: 0.304 local terms energy: -843.281551 where: bonds (distance) C4'-P energy: -170.616 bonds (distance) P-C4' energy: -140.248 flat angles C4'-P-C4' energy: -181.202 flat angles P-C4'-P energy: -117.996 tors. eta vs tors. theta energy: -233.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2801.632177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.632177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.632177 (E_RNA) where: Base-Base interactions energy: -1975.287 where: short stacking energy: -844.604 Base-Backbone interact. energy: -0.791 local terms energy: -825.553892 where: bonds (distance) C4'-P energy: -156.998 bonds (distance) P-C4' energy: -165.905 flat angles C4'-P-C4' energy: -179.760 flat angles P-C4'-P energy: -110.448 tors. eta vs tors. theta energy: -212.443 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: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2654.303497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.303497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.303497 (E_RNA) where: Base-Base interactions energy: -1880.369 where: short stacking energy: -814.637 Base-Backbone interact. energy: 1.186 local terms energy: -775.120861 where: bonds (distance) C4'-P energy: -152.582 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -165.376 flat angles P-C4'-P energy: -110.007 tors. eta vs tors. theta energy: -201.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2612.623206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.623206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.623206 (E_RNA) where: Base-Base interactions energy: -1875.978 where: short stacking energy: -799.471 Base-Backbone interact. energy: 1.151 local terms energy: -737.795935 where: bonds (distance) C4'-P energy: -129.683 bonds (distance) P-C4' energy: -147.200 flat angles C4'-P-C4' energy: -170.048 flat angles P-C4'-P energy: -91.618 tors. eta vs tors. theta energy: -199.246 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: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2435.750181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.750181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.750181 (E_RNA) where: Base-Base interactions energy: -1739.569 where: short stacking energy: -690.132 Base-Backbone interact. energy: -1.982 local terms energy: -694.198304 where: bonds (distance) C4'-P energy: -150.330 bonds (distance) P-C4' energy: -132.579 flat angles C4'-P-C4' energy: -153.502 flat angles P-C4'-P energy: -87.513 tors. eta vs tors. theta energy: -170.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2255.837173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.837173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.837173 (E_RNA) where: Base-Base interactions energy: -1568.585 where: short stacking energy: -683.949 Base-Backbone interact. energy: 3.558 local terms energy: -690.809718 where: bonds (distance) C4'-P energy: -134.978 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -161.678 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -162.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2074.430086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.430086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.430086 (E_RNA) where: Base-Base interactions energy: -1397.110 where: short stacking energy: -642.024 Base-Backbone interact. energy: 0.520 local terms energy: -677.840772 where: bonds (distance) C4'-P energy: -139.990 bonds (distance) P-C4' energy: -139.858 flat angles C4'-P-C4' energy: -146.552 flat angles P-C4'-P energy: -86.440 tors. eta vs tors. theta energy: -165.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1964.632915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.632915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.632915 (E_RNA) where: Base-Base interactions energy: -1353.599 where: short stacking energy: -617.966 Base-Backbone interact. energy: -0.599 local terms energy: -610.434722 where: bonds (distance) C4'-P energy: -121.001 bonds (distance) P-C4' energy: -124.186 flat angles C4'-P-C4' energy: -139.485 flat angles P-C4'-P energy: -94.004 tors. eta vs tors. theta energy: -131.758 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: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1644.234002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.234002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.234002 (E_RNA) where: Base-Base interactions energy: -1062.829 where: short stacking energy: -469.036 Base-Backbone interact. energy: -0.207 local terms energy: -581.198137 where: bonds (distance) C4'-P energy: -121.970 bonds (distance) P-C4' energy: -127.005 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -104.623 tors. eta vs tors. theta energy: -91.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1305.683532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.683532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.683532 (E_RNA) where: Base-Base interactions energy: -850.389 where: short stacking energy: -404.027 Base-Backbone interact. energy: -0.846 local terms energy: -454.448264 where: bonds (distance) C4'-P energy: -117.567 bonds (distance) P-C4' energy: -111.438 flat angles C4'-P-C4' energy: -124.493 flat angles P-C4'-P energy: -63.170 tors. eta vs tors. theta energy: -37.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2891.019173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.019173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.019173 (E_RNA) where: Base-Base interactions energy: -2028.296 where: short stacking energy: -840.018 Base-Backbone interact. energy: -5.358 local terms energy: -857.365059 where: bonds (distance) C4'-P energy: -165.491 bonds (distance) P-C4' energy: -156.883 flat angles C4'-P-C4' energy: -183.717 flat angles P-C4'-P energy: -128.936 tors. eta vs tors. theta energy: -222.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2808.431392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.431392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.431392 (E_RNA) where: Base-Base interactions energy: -1951.005 where: short stacking energy: -838.044 Base-Backbone interact. energy: -3.813 local terms energy: -853.613437 where: bonds (distance) C4'-P energy: -167.634 bonds (distance) P-C4' energy: -166.825 flat angles C4'-P-C4' energy: -178.024 flat angles P-C4'-P energy: -113.356 tors. eta vs tors. theta energy: -227.775 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: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2679.253959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.253959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.253959 (E_RNA) where: Base-Base interactions energy: -1862.855 where: short stacking energy: -837.081 Base-Backbone interact. energy: -2.582 local terms energy: -813.816889 where: bonds (distance) C4'-P energy: -141.202 bonds (distance) P-C4' energy: -164.866 flat angles C4'-P-C4' energy: -174.742 flat angles P-C4'-P energy: -118.600 tors. eta vs tors. theta energy: -214.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2607.630423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.630423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.630423 (E_RNA) where: Base-Base interactions energy: -1855.242 where: short stacking energy: -799.251 Base-Backbone interact. energy: -2.322 local terms energy: -750.067028 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -161.030 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -209.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2408.678055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.678055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.678055 (E_RNA) where: Base-Base interactions energy: -1703.317 where: short stacking energy: -703.533 Base-Backbone interact. energy: -3.100 local terms energy: -702.261638 where: bonds (distance) C4'-P energy: -139.513 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -157.774 flat angles P-C4'-P energy: -82.144 tors. eta vs tors. theta energy: -177.104 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2233.016419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.016419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.016419 (E_RNA) where: Base-Base interactions energy: -1564.201 where: short stacking energy: -674.176 Base-Backbone interact. energy: -4.269 local terms energy: -664.546610 where: bonds (distance) C4'-P energy: -116.734 bonds (distance) P-C4' energy: -145.981 flat angles C4'-P-C4' energy: -147.133 flat angles P-C4'-P energy: -88.482 tors. eta vs tors. theta energy: -166.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2054.698167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.698167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.698167 (E_RNA) where: Base-Base interactions energy: -1388.063 where: short stacking energy: -615.267 Base-Backbone interact. energy: 1.619 local terms energy: -668.253747 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -137.820 flat angles C4'-P-C4' energy: -143.875 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -150.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1910.948590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.948590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.948590 (E_RNA) where: Base-Base interactions energy: -1295.962 where: short stacking energy: -556.303 Base-Backbone interact. energy: 1.315 local terms energy: -616.301535 where: bonds (distance) C4'-P energy: -126.653 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -135.354 flat angles P-C4'-P energy: -88.873 tors. eta vs tors. theta energy: -123.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1622.762669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.762669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.762669 (E_RNA) where: Base-Base interactions energy: -1082.423 where: short stacking energy: -487.366 Base-Backbone interact. energy: -2.701 local terms energy: -537.639205 where: bonds (distance) C4'-P energy: -125.016 bonds (distance) P-C4' energy: -134.859 flat angles C4'-P-C4' energy: -111.733 flat angles P-C4'-P energy: -90.597 tors. eta vs tors. theta energy: -75.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1306.069766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.069766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.069766 (E_RNA) where: Base-Base interactions energy: -807.100 where: short stacking energy: -378.167 Base-Backbone interact. energy: -4.256 local terms energy: -494.714018 where: bonds (distance) C4'-P energy: -108.673 bonds (distance) P-C4' energy: -138.867 flat angles C4'-P-C4' energy: -121.001 flat angles P-C4'-P energy: -89.447 tors. eta vs tors. theta energy: -36.727 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2877.729310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.729310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.729310 (E_RNA) where: Base-Base interactions energy: -2037.222 where: short stacking energy: -873.659 Base-Backbone interact. energy: -3.674 local terms energy: -836.833850 where: bonds (distance) C4'-P energy: -151.933 bonds (distance) P-C4' energy: -167.969 flat angles C4'-P-C4' energy: -173.959 flat angles P-C4'-P energy: -120.032 tors. eta vs tors. theta energy: -222.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2792.816948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.816948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.816948 (E_RNA) where: Base-Base interactions energy: -1971.655 where: short stacking energy: -845.381 Base-Backbone interact. energy: 3.111 local terms energy: -824.272770 where: bonds (distance) C4'-P energy: -153.227 bonds (distance) P-C4' energy: -155.436 flat angles C4'-P-C4' energy: -190.818 flat angles P-C4'-P energy: -111.779 tors. eta vs tors. theta energy: -213.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2677.829849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.829849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.829849 (E_RNA) where: Base-Base interactions energy: -1869.813 where: short stacking energy: -811.563 Base-Backbone interact. energy: -1.277 local terms energy: -806.739779 where: bonds (distance) C4'-P energy: -152.406 bonds (distance) P-C4' energy: -159.157 flat angles C4'-P-C4' energy: -175.376 flat angles P-C4'-P energy: -102.883 tors. eta vs tors. theta energy: -216.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2591.432992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.432992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.432992 (E_RNA) where: Base-Base interactions energy: -1825.753 where: short stacking energy: -772.217 Base-Backbone interact. energy: -3.670 local terms energy: -762.010233 where: bonds (distance) C4'-P energy: -139.557 bonds (distance) P-C4' energy: -145.624 flat angles C4'-P-C4' energy: -168.665 flat angles P-C4'-P energy: -111.107 tors. eta vs tors. theta energy: -197.058 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: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2386.531060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.531060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.531060 (E_RNA) where: Base-Base interactions energy: -1690.189 where: short stacking energy: -698.230 Base-Backbone interact. energy: -2.371 local terms energy: -693.971252 where: bonds (distance) C4'-P energy: -134.794 bonds (distance) P-C4' energy: -143.363 flat angles C4'-P-C4' energy: -154.726 flat angles P-C4'-P energy: -109.942 tors. eta vs tors. theta energy: -151.147 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2251.936507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.936507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.936507 (E_RNA) where: Base-Base interactions energy: -1565.515 where: short stacking energy: -673.965 Base-Backbone interact. energy: -3.633 local terms energy: -682.788254 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -129.294 flat angles C4'-P-C4' energy: -158.284 flat angles P-C4'-P energy: -100.984 tors. eta vs tors. theta energy: -162.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2055.690211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.690211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.690211 (E_RNA) where: Base-Base interactions energy: -1370.911 where: short stacking energy: -607.112 Base-Backbone interact. energy: 1.500 local terms energy: -686.278751 where: bonds (distance) C4'-P energy: -144.250 bonds (distance) P-C4' energy: -147.598 flat angles C4'-P-C4' energy: -145.618 flat angles P-C4'-P energy: -105.819 tors. eta vs tors. theta energy: -142.994 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: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1839.177821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.177821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.177821 (E_RNA) where: Base-Base interactions energy: -1305.265 where: short stacking energy: -566.022 Base-Backbone interact. energy: 1.359 local terms energy: -535.271566 where: bonds (distance) C4'-P energy: -109.849 bonds (distance) P-C4' energy: -117.611 flat angles C4'-P-C4' energy: -132.260 flat angles P-C4'-P energy: -78.951 tors. eta vs tors. theta energy: -96.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1697.623863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.623863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.623863 (E_RNA) where: Base-Base interactions energy: -1140.265 where: short stacking energy: -495.552 Base-Backbone interact. energy: 1.327 local terms energy: -558.686095 where: bonds (distance) C4'-P energy: -125.720 bonds (distance) P-C4' energy: -127.376 flat angles C4'-P-C4' energy: -131.573 flat angles P-C4'-P energy: -84.491 tors. eta vs tors. theta energy: -89.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1326.904479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.904479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.904479 (E_RNA) where: Base-Base interactions energy: -835.825 where: short stacking energy: -391.990 Base-Backbone interact. energy: -0.219 local terms energy: -490.860599 where: bonds (distance) C4'-P energy: -130.064 bonds (distance) P-C4' energy: -130.263 flat angles C4'-P-C4' energy: -111.595 flat angles P-C4'-P energy: -90.784 tors. eta vs tors. theta energy: -28.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2907.744014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.744014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.744014 (E_RNA) where: Base-Base interactions energy: -2046.432 where: short stacking energy: -863.266 Base-Backbone interact. energy: -1.905 local terms energy: -859.407203 where: bonds (distance) C4'-P energy: -164.446 bonds (distance) P-C4' energy: -171.768 flat angles C4'-P-C4' energy: -175.635 flat angles P-C4'-P energy: -114.514 tors. eta vs tors. theta energy: -233.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2809.456726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.456726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.456726 (E_RNA) where: Base-Base interactions energy: -2003.551 where: short stacking energy: -851.658 Base-Backbone interact. energy: -2.564 local terms energy: -803.341807 where: bonds (distance) C4'-P energy: -148.076 bonds (distance) P-C4' energy: -154.010 flat angles C4'-P-C4' energy: -190.529 flat angles P-C4'-P energy: -103.845 tors. eta vs tors. theta energy: -206.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2697.284024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.284024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.284024 (E_RNA) where: Base-Base interactions energy: -1899.426 where: short stacking energy: -826.197 Base-Backbone interact. energy: -1.147 local terms energy: -796.710909 where: bonds (distance) C4'-P energy: -136.222 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -174.080 flat angles P-C4'-P energy: -113.795 tors. eta vs tors. theta energy: -214.986 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: 9 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2642.002491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.002491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.002491 (E_RNA) where: Base-Base interactions energy: -1888.405 where: short stacking energy: -784.424 Base-Backbone interact. energy: -3.121 local terms energy: -750.476891 where: bonds (distance) C4'-P energy: -124.849 bonds (distance) P-C4' energy: -137.469 flat angles C4'-P-C4' energy: -173.917 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -215.183 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: 103 Temperature: 1.100000 Total energy: -2420.304380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.304380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.304380 (E_RNA) where: Base-Base interactions energy: -1735.867 where: short stacking energy: -700.975 Base-Backbone interact. energy: -0.583 local terms energy: -683.854526 where: bonds (distance) C4'-P energy: -128.379 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -151.645 flat angles P-C4'-P energy: -86.308 tors. eta vs tors. theta energy: -173.437 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: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2226.505479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.505479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.505479 (E_RNA) where: Base-Base interactions energy: -1546.422 where: short stacking energy: -648.826 Base-Backbone interact. energy: -5.353 local terms energy: -674.730825 where: bonds (distance) C4'-P energy: -140.111 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -147.751 flat angles P-C4'-P energy: -83.807 tors. eta vs tors. theta energy: -160.922 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: 103 Temperature: 1.200000 Total energy: -2078.719422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.719422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.719422 (E_RNA) where: Base-Base interactions energy: -1427.659 where: short stacking energy: -621.377 Base-Backbone interact. energy: -3.019 local terms energy: -648.042200 where: bonds (distance) C4'-P energy: -144.452 bonds (distance) P-C4' energy: -112.200 flat angles C4'-P-C4' energy: -141.018 flat angles P-C4'-P energy: -103.572 tors. eta vs tors. theta energy: -146.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1844.880465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.880465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.880465 (E_RNA) where: Base-Base interactions energy: -1249.267 where: short stacking energy: -557.269 Base-Backbone interact. energy: 4.463 local terms energy: -600.075599 where: bonds (distance) C4'-P energy: -124.937 bonds (distance) P-C4' energy: -142.402 flat angles C4'-P-C4' energy: -141.821 flat angles P-C4'-P energy: -63.837 tors. eta vs tors. theta energy: -127.079 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: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1689.233867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.233867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.233867 (E_RNA) where: Base-Base interactions energy: -1098.912 where: short stacking energy: -515.737 Base-Backbone interact. energy: -0.533 local terms energy: -589.788614 where: bonds (distance) C4'-P energy: -131.378 bonds (distance) P-C4' energy: -136.739 flat angles C4'-P-C4' energy: -131.749 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -115.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1265.584969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.584969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.584969 (E_RNA) where: Base-Base interactions energy: -817.062 where: short stacking energy: -409.313 Base-Backbone interact. energy: 6.228 local terms energy: -454.751012 where: bonds (distance) C4'-P energy: -110.519 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -70.563 tors. eta vs tors. theta energy: -41.961 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: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2901.088219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.088219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.088219 (E_RNA) where: Base-Base interactions energy: -2061.157 where: short stacking energy: -876.215 Base-Backbone interact. energy: -2.780 local terms energy: -837.151710 where: bonds (distance) C4'-P energy: -141.963 bonds (distance) P-C4' energy: -163.980 flat angles C4'-P-C4' energy: -185.333 flat angles P-C4'-P energy: -114.820 tors. eta vs tors. theta energy: -231.057 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: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2772.318143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.318143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.318143 (E_RNA) where: Base-Base interactions energy: -1966.862 where: short stacking energy: -838.706 Base-Backbone interact. energy: -1.139 local terms energy: -804.316708 where: bonds (distance) C4'-P energy: -167.387 bonds (distance) P-C4' energy: -150.880 flat angles C4'-P-C4' energy: -162.874 flat angles P-C4'-P energy: -111.158 tors. eta vs tors. theta energy: -212.017 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: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2744.451706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.451706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.451706 (E_RNA) where: Base-Base interactions energy: -1933.099 where: short stacking energy: -798.647 Base-Backbone interact. energy: -2.737 local terms energy: -808.615632 where: bonds (distance) C4'-P energy: -147.392 bonds (distance) P-C4' energy: -146.952 flat angles C4'-P-C4' energy: -177.592 flat angles P-C4'-P energy: -119.121 tors. eta vs tors. theta energy: -217.558 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: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2601.191643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.191643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.191643 (E_RNA) where: Base-Base interactions energy: -1838.317 where: short stacking energy: -770.485 Base-Backbone interact. energy: -0.355 local terms energy: -762.518970 where: bonds (distance) C4'-P energy: -160.956 bonds (distance) P-C4' energy: -134.468 flat angles C4'-P-C4' energy: -161.818 flat angles P-C4'-P energy: -106.111 tors. eta vs tors. theta energy: -199.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2391.074392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.074392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.074392 (E_RNA) where: Base-Base interactions energy: -1694.031 where: short stacking energy: -724.187 Base-Backbone interact. energy: 0.018 local terms energy: -697.061365 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -118.507 flat angles C4'-P-C4' energy: -157.802 flat angles P-C4'-P energy: -98.900 tors. eta vs tors. theta energy: -170.056 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: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2230.669255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.669255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.669255 (E_RNA) where: Base-Base interactions energy: -1579.056 where: short stacking energy: -662.309 Base-Backbone interact. energy: 2.806 local terms energy: -654.418581 where: bonds (distance) C4'-P energy: -132.347 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -167.614 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -140.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2109.970205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.970205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.970205 (E_RNA) where: Base-Base interactions energy: -1475.053 where: short stacking energy: -639.450 Base-Backbone interact. energy: -2.431 local terms energy: -632.486143 where: bonds (distance) C4'-P energy: -122.395 bonds (distance) P-C4' energy: -122.199 flat angles C4'-P-C4' energy: -151.051 flat angles P-C4'-P energy: -87.527 tors. eta vs tors. theta energy: -149.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1895.307691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.307691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.307691 (E_RNA) where: Base-Base interactions energy: -1278.817 where: short stacking energy: -571.418 Base-Backbone interact. energy: 10.493 local terms energy: -626.983620 where: bonds (distance) C4'-P energy: -129.495 bonds (distance) P-C4' energy: -141.224 flat angles C4'-P-C4' energy: -146.289 flat angles P-C4'-P energy: -73.100 tors. eta vs tors. theta energy: -136.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1721.024238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.024238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.024238 (E_RNA) where: Base-Base interactions energy: -1182.499 where: short stacking energy: -500.460 Base-Backbone interact. energy: 0.589 local terms energy: -539.114372 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -124.067 flat angles C4'-P-C4' energy: -136.931 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -88.750 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: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1276.069335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.069335 (E_RNA) where: Base-Base interactions energy: -806.052 where: short stacking energy: -388.272 Base-Backbone interact. energy: 0.190 local terms energy: -470.207105 where: bonds (distance) C4'-P energy: -119.300 bonds (distance) P-C4' energy: -119.823 flat angles C4'-P-C4' energy: -96.528 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -56.121 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2903.387572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.387572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.387572 (E_RNA) where: Base-Base interactions energy: -2049.773 where: short stacking energy: -875.011 Base-Backbone interact. energy: -1.612 local terms energy: -852.003299 where: bonds (distance) C4'-P energy: -160.746 bonds (distance) P-C4' energy: -158.727 flat angles C4'-P-C4' energy: -187.160 flat angles P-C4'-P energy: -116.689 tors. eta vs tors. theta energy: -228.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2765.327872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.327872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.327872 (E_RNA) where: Base-Base interactions energy: -1950.107 where: short stacking energy: -844.549 Base-Backbone interact. energy: -4.964 local terms energy: -810.257517 where: bonds (distance) C4'-P energy: -143.862 bonds (distance) P-C4' energy: -158.906 flat angles C4'-P-C4' energy: -179.531 flat angles P-C4'-P energy: -120.488 tors. eta vs tors. theta energy: -207.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2756.009631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.009631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.009631 (E_RNA) where: Base-Base interactions energy: -1948.527 where: short stacking energy: -857.419 Base-Backbone interact. energy: -1.928 local terms energy: -805.554598 where: bonds (distance) C4'-P energy: -146.665 bonds (distance) P-C4' energy: -157.024 flat angles C4'-P-C4' energy: -180.055 flat angles P-C4'-P energy: -101.068 tors. eta vs tors. theta energy: -220.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2653.721031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.721031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.721031 (E_RNA) where: Base-Base interactions energy: -1884.059 where: short stacking energy: -805.141 Base-Backbone interact. energy: -3.224 local terms energy: -766.438406 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -148.358 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -107.880 tors. eta vs tors. theta energy: -212.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2432.270786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.270786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.270786 (E_RNA) where: Base-Base interactions energy: -1713.733 where: short stacking energy: -694.208 Base-Backbone interact. energy: -4.851 local terms energy: -713.686982 where: bonds (distance) C4'-P energy: -146.874 bonds (distance) P-C4' energy: -147.057 flat angles C4'-P-C4' energy: -157.894 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -172.320 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: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2180.022007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.022007 (E_RNA) where: Base-Base interactions energy: -1494.464 where: short stacking energy: -654.008 Base-Backbone interact. energy: -4.537 local terms energy: -681.020373 where: bonds (distance) C4'-P energy: -133.038 bonds (distance) P-C4' energy: -139.367 flat angles C4'-P-C4' energy: -170.519 flat angles P-C4'-P energy: -89.249 tors. eta vs tors. theta energy: -148.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2070.049627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.049627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.049627 (E_RNA) where: Base-Base interactions energy: -1438.087 where: short stacking energy: -622.826 Base-Backbone interact. energy: -0.384 local terms energy: -631.578929 where: bonds (distance) C4'-P energy: -122.876 bonds (distance) P-C4' energy: -123.856 flat angles C4'-P-C4' energy: -149.764 flat angles P-C4'-P energy: -91.846 tors. eta vs tors. theta energy: -143.238 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: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1901.922072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.922072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.922072 (E_RNA) where: Base-Base interactions energy: -1278.470 where: short stacking energy: -587.486 Base-Backbone interact. energy: 5.942 local terms energy: -629.393238 where: bonds (distance) C4'-P energy: -127.517 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -143.268 flat angles P-C4'-P energy: -95.726 tors. eta vs tors. theta energy: -131.847 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: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1761.012216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.012216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.012216 (E_RNA) where: Base-Base interactions energy: -1183.495 where: short stacking energy: -533.402 Base-Backbone interact. energy: 5.906 local terms energy: -583.422940 where: bonds (distance) C4'-P energy: -143.306 bonds (distance) P-C4' energy: -132.449 flat angles C4'-P-C4' energy: -132.878 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: -104.847 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: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1236.078331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.078331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.078331 (E_RNA) where: Base-Base interactions energy: -730.457 where: short stacking energy: -329.927 Base-Backbone interact. energy: -3.064 local terms energy: -502.557316 where: bonds (distance) C4'-P energy: -126.615 bonds (distance) P-C4' energy: -139.801 flat angles C4'-P-C4' energy: -125.462 flat angles P-C4'-P energy: -87.208 tors. eta vs tors. theta energy: -23.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2911.397565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.397565 (E_RNA) where: Base-Base interactions energy: -2054.641 where: short stacking energy: -883.906 Base-Backbone interact. energy: 1.590 local terms energy: -858.346225 where: bonds (distance) C4'-P energy: -161.751 bonds (distance) P-C4' energy: -160.118 flat angles C4'-P-C4' energy: -180.896 flat angles P-C4'-P energy: -124.792 tors. eta vs tors. theta energy: -230.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2763.661851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.661851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.661851 (E_RNA) where: Base-Base interactions energy: -1947.712 where: short stacking energy: -845.288 Base-Backbone interact. energy: -2.072 local terms energy: -813.878273 where: bonds (distance) C4'-P energy: -142.706 bonds (distance) P-C4' energy: -154.025 flat angles C4'-P-C4' energy: -180.476 flat angles P-C4'-P energy: -113.680 tors. eta vs tors. theta energy: -222.992 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: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2732.986471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.986471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.986471 (E_RNA) where: Base-Base interactions energy: -1927.906 where: short stacking energy: -830.380 Base-Backbone interact. energy: 2.182 local terms energy: -807.262994 where: bonds (distance) C4'-P energy: -141.726 bonds (distance) P-C4' energy: -159.059 flat angles C4'-P-C4' energy: -185.487 flat angles P-C4'-P energy: -102.204 tors. eta vs tors. theta energy: -218.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2639.918412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.918412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.918412 (E_RNA) where: Base-Base interactions energy: -1897.598 where: short stacking energy: -811.371 Base-Backbone interact. energy: 1.776 local terms energy: -744.096199 where: bonds (distance) C4'-P energy: -127.593 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -159.494 flat angles P-C4'-P energy: -98.957 tors. eta vs tors. theta energy: -205.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2453.677234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.677234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.677234 (E_RNA) where: Base-Base interactions energy: -1685.837 where: short stacking energy: -729.536 Base-Backbone interact. energy: -3.239 local terms energy: -764.601670 where: bonds (distance) C4'-P energy: -133.828 bonds (distance) P-C4' energy: -151.524 flat angles C4'-P-C4' energy: -177.327 flat angles P-C4'-P energy: -113.628 tors. eta vs tors. theta energy: -188.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2198.366474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.366474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.366474 (E_RNA) where: Base-Base interactions energy: -1557.734 where: short stacking energy: -631.005 Base-Backbone interact. energy: 2.976 local terms energy: -643.609100 where: bonds (distance) C4'-P energy: -124.487 bonds (distance) P-C4' energy: -135.948 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -91.343 tors. eta vs tors. theta energy: -142.215 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: 106 Temperature: 1.200000 Total energy: -2101.373416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.373416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.373416 (E_RNA) where: Base-Base interactions energy: -1421.420 where: short stacking energy: -622.554 Base-Backbone interact. energy: -2.332 local terms energy: -677.620839 where: bonds (distance) C4'-P energy: -143.795 bonds (distance) P-C4' energy: -149.186 flat angles C4'-P-C4' energy: -149.087 flat angles P-C4'-P energy: -86.557 tors. eta vs tors. theta energy: -148.996 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: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1921.754848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.754848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.754848 (E_RNA) where: Base-Base interactions energy: -1316.167 where: short stacking energy: -575.909 Base-Backbone interact. energy: -0.889 local terms energy: -604.698756 where: bonds (distance) C4'-P energy: -128.763 bonds (distance) P-C4' energy: -122.506 flat angles C4'-P-C4' energy: -140.125 flat angles P-C4'-P energy: -93.699 tors. eta vs tors. theta energy: -119.605 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: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1682.891105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.891105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.891105 (E_RNA) where: Base-Base interactions energy: -1148.439 where: short stacking energy: -492.783 Base-Backbone interact. energy: -3.567 local terms energy: -530.885860 where: bonds (distance) C4'-P energy: -127.281 bonds (distance) P-C4' energy: -144.576 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -55.140 tors. eta vs tors. theta energy: -84.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1306.048840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.048840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.048840 (E_RNA) where: Base-Base interactions energy: -793.356 where: short stacking energy: -374.106 Base-Backbone interact. energy: 3.831 local terms energy: -516.524121 where: bonds (distance) C4'-P energy: -120.809 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -122.578 flat angles P-C4'-P energy: -94.286 tors. eta vs tors. theta energy: -40.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2921.978559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.978559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.978559 (E_RNA) where: Base-Base interactions energy: -2078.330 where: short stacking energy: -866.306 Base-Backbone interact. energy: 0.200 local terms energy: -843.848965 where: bonds (distance) C4'-P energy: -156.578 bonds (distance) P-C4' energy: -158.459 flat angles C4'-P-C4' energy: -189.160 flat angles P-C4'-P energy: -116.888 tors. eta vs tors. theta energy: -222.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2795.657223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.657223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.657223 (E_RNA) where: Base-Base interactions energy: -1970.270 where: short stacking energy: -870.274 Base-Backbone interact. energy: -3.197 local terms energy: -822.190100 where: bonds (distance) C4'-P energy: -151.984 bonds (distance) P-C4' energy: -153.820 flat angles C4'-P-C4' energy: -174.462 flat angles P-C4'-P energy: -117.494 tors. eta vs tors. theta energy: -224.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2746.945092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.945092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.945092 (E_RNA) where: Base-Base interactions energy: -1953.783 where: short stacking energy: -840.475 Base-Backbone interact. energy: 0.021 local terms energy: -793.182848 where: bonds (distance) C4'-P energy: -152.230 bonds (distance) P-C4' energy: -134.109 flat angles C4'-P-C4' energy: -162.761 flat angles P-C4'-P energy: -122.577 tors. eta vs tors. theta energy: -221.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2645.875842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.875842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.875842 (E_RNA) where: Base-Base interactions energy: -1851.473 where: short stacking energy: -803.423 Base-Backbone interact. energy: -1.183 local terms energy: -793.220045 where: bonds (distance) C4'-P energy: -151.730 bonds (distance) P-C4' energy: -147.250 flat angles C4'-P-C4' energy: -177.156 flat angles P-C4'-P energy: -106.029 tors. eta vs tors. theta energy: -211.056 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: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2414.753509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.753509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.753509 (E_RNA) where: Base-Base interactions energy: -1680.525 where: short stacking energy: -681.650 Base-Backbone interact. energy: -5.599 local terms energy: -728.629721 where: bonds (distance) C4'-P energy: -143.965 bonds (distance) P-C4' energy: -144.349 flat angles C4'-P-C4' energy: -161.313 flat angles P-C4'-P energy: -106.005 tors. eta vs tors. theta energy: -172.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2244.496218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.496218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.496218 (E_RNA) where: Base-Base interactions energy: -1587.936 where: short stacking energy: -632.207 Base-Backbone interact. energy: 3.523 local terms energy: -660.084031 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -103.450 tors. eta vs tors. theta energy: -144.536 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: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2098.990264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.990264 (E_RNA) where: Base-Base interactions energy: -1415.478 where: short stacking energy: -616.957 Base-Backbone interact. energy: -0.441 local terms energy: -683.071228 where: bonds (distance) C4'-P energy: -124.064 bonds (distance) P-C4' energy: -137.782 flat angles C4'-P-C4' energy: -165.189 flat angles P-C4'-P energy: -102.718 tors. eta vs tors. theta energy: -153.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1823.978759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.978759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.978759 (E_RNA) where: Base-Base interactions energy: -1263.012 where: short stacking energy: -571.073 Base-Backbone interact. energy: 1.399 local terms energy: -562.365926 where: bonds (distance) C4'-P energy: -111.108 bonds (distance) P-C4' energy: -87.974 flat angles C4'-P-C4' energy: -136.306 flat angles P-C4'-P energy: -101.443 tors. eta vs tors. theta energy: -125.535 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: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1681.354714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.354714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.354714 (E_RNA) where: Base-Base interactions energy: -1127.049 where: short stacking energy: -514.363 Base-Backbone interact. energy: -4.579 local terms energy: -549.727340 where: bonds (distance) C4'-P energy: -121.862 bonds (distance) P-C4' energy: -126.854 flat angles C4'-P-C4' energy: -119.150 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -106.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1218.313045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.313045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.313045 (E_RNA) where: Base-Base interactions energy: -773.689 where: short stacking energy: -367.285 Base-Backbone interact. energy: 0.244 local terms energy: -444.868272 where: bonds (distance) C4'-P energy: -113.720 bonds (distance) P-C4' energy: -113.530 flat angles C4'-P-C4' energy: -143.542 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -24.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2881.325710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.325710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.325710 (E_RNA) where: Base-Base interactions energy: -2037.016 where: short stacking energy: -879.065 Base-Backbone interact. energy: -3.527 local terms energy: -840.782811 where: bonds (distance) C4'-P energy: -160.917 bonds (distance) P-C4' energy: -142.860 flat angles C4'-P-C4' energy: -188.538 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -234.836 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: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2783.246390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.246390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.246390 (E_RNA) where: Base-Base interactions energy: -1958.813 where: short stacking energy: -816.514 Base-Backbone interact. energy: -6.285 local terms energy: -818.148166 where: bonds (distance) C4'-P energy: -149.510 bonds (distance) P-C4' energy: -156.779 flat angles C4'-P-C4' energy: -175.182 flat angles P-C4'-P energy: -116.777 tors. eta vs tors. theta energy: -219.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2756.136042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.136042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.136042 (E_RNA) where: Base-Base interactions energy: -1940.084 where: short stacking energy: -847.232 Base-Backbone interact. energy: 2.753 local terms energy: -818.804957 where: bonds (distance) C4'-P energy: -137.053 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -173.527 flat angles P-C4'-P energy: -118.452 tors. eta vs tors. theta energy: -228.040 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: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2620.305997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.305997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.305997 (E_RNA) where: Base-Base interactions energy: -1838.165 where: short stacking energy: -763.655 Base-Backbone interact. energy: -3.168 local terms energy: -778.973445 where: bonds (distance) C4'-P energy: -140.798 bonds (distance) P-C4' energy: -152.743 flat angles C4'-P-C4' energy: -160.143 flat angles P-C4'-P energy: -109.748 tors. eta vs tors. theta energy: -215.542 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: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2380.586937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.586937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.586937 (E_RNA) where: Base-Base interactions energy: -1677.961 where: short stacking energy: -687.591 Base-Backbone interact. energy: -6.444 local terms energy: -696.182219 where: bonds (distance) C4'-P energy: -135.344 bonds (distance) P-C4' energy: -135.990 flat angles C4'-P-C4' energy: -155.336 flat angles P-C4'-P energy: -100.908 tors. eta vs tors. theta energy: -168.604 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: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2303.389325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.389325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.389325 (E_RNA) where: Base-Base interactions energy: -1625.836 where: short stacking energy: -686.587 Base-Backbone interact. energy: -1.391 local terms energy: -676.162032 where: bonds (distance) C4'-P energy: -138.760 bonds (distance) P-C4' energy: -145.033 flat angles C4'-P-C4' energy: -136.476 flat angles P-C4'-P energy: -100.671 tors. eta vs tors. theta energy: -155.222 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: 108 Temperature: 1.200000 Total energy: -2059.813536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.813536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.813536 (E_RNA) where: Base-Base interactions energy: -1409.961 where: short stacking energy: -637.054 Base-Backbone interact. energy: -1.937 local terms energy: -647.915369 where: bonds (distance) C4'-P energy: -113.747 bonds (distance) P-C4' energy: -127.857 flat angles C4'-P-C4' energy: -156.311 flat angles P-C4'-P energy: -98.570 tors. eta vs tors. theta energy: -151.430 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: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1914.206786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.206786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.206786 (E_RNA) where: Base-Base interactions energy: -1289.315 where: short stacking energy: -565.015 Base-Backbone interact. energy: -0.912 local terms energy: -623.979828 where: bonds (distance) C4'-P energy: -121.380 bonds (distance) P-C4' energy: -128.705 flat angles C4'-P-C4' energy: -131.453 flat angles P-C4'-P energy: -86.826 tors. eta vs tors. theta energy: -155.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1720.270271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.270271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.270271 (E_RNA) where: Base-Base interactions energy: -1137.576 where: short stacking energy: -493.997 Base-Backbone interact. energy: 1.844 local terms energy: -584.537980 where: bonds (distance) C4'-P energy: -115.746 bonds (distance) P-C4' energy: -127.587 flat angles C4'-P-C4' energy: -146.988 flat angles P-C4'-P energy: -88.220 tors. eta vs tors. theta energy: -105.997 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: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1205.539073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.539073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.539073 (E_RNA) where: Base-Base interactions energy: -752.280 where: short stacking energy: -356.845 Base-Backbone interact. energy: 0.459 local terms energy: -453.718049 where: bonds (distance) C4'-P energy: -113.295 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -99.780 flat angles P-C4'-P energy: -78.766 tors. eta vs tors. theta energy: -29.570 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: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2911.884071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.884071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.884071 (E_RNA) where: Base-Base interactions energy: -2068.542 where: short stacking energy: -879.472 Base-Backbone interact. energy: -3.757 local terms energy: -839.585282 where: bonds (distance) C4'-P energy: -155.865 bonds (distance) P-C4' energy: -156.168 flat angles C4'-P-C4' energy: -185.193 flat angles P-C4'-P energy: -103.140 tors. eta vs tors. theta energy: -239.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2805.850889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.850889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.850889 (E_RNA) where: Base-Base interactions energy: -1970.462 where: short stacking energy: -871.959 Base-Backbone interact. energy: -5.755 local terms energy: -829.633899 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -164.127 flat angles C4'-P-C4' energy: -175.539 flat angles P-C4'-P energy: -116.962 tors. eta vs tors. theta energy: -232.873 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: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2792.921170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.921170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.921170 (E_RNA) where: Base-Base interactions energy: -1975.828 where: short stacking energy: -815.281 Base-Backbone interact. energy: 3.100 local terms energy: -820.193331 where: bonds (distance) C4'-P energy: -150.647 bonds (distance) P-C4' energy: -137.794 flat angles C4'-P-C4' energy: -187.327 flat angles P-C4'-P energy: -115.439 tors. eta vs tors. theta energy: -228.986 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: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2638.639074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.639074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.639074 (E_RNA) where: Base-Base interactions energy: -1880.114 where: short stacking energy: -797.522 Base-Backbone interact. energy: -3.281 local terms energy: -755.244174 where: bonds (distance) C4'-P energy: -127.131 bonds (distance) P-C4' energy: -152.657 flat angles C4'-P-C4' energy: -154.167 flat angles P-C4'-P energy: -107.938 tors. eta vs tors. theta energy: -213.351 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: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2369.305773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.305773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.305773 (E_RNA) where: Base-Base interactions energy: -1695.301 where: short stacking energy: -681.245 Base-Backbone interact. energy: 5.547 local terms energy: -679.551753 where: bonds (distance) C4'-P energy: -140.613 bonds (distance) P-C4' energy: -140.780 flat angles C4'-P-C4' energy: -156.662 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -168.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2202.077973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.077973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.077973 (E_RNA) where: Base-Base interactions energy: -1535.611 where: short stacking energy: -649.730 Base-Backbone interact. energy: -2.467 local terms energy: -663.999636 where: bonds (distance) C4'-P energy: -120.239 bonds (distance) P-C4' energy: -156.611 flat angles C4'-P-C4' energy: -138.994 flat angles P-C4'-P energy: -91.173 tors. eta vs tors. theta energy: -156.983 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: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2059.340330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.340330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.340330 (E_RNA) where: Base-Base interactions energy: -1445.819 where: short stacking energy: -618.359 Base-Backbone interact. energy: -1.281 local terms energy: -612.240249 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -132.384 flat angles C4'-P-C4' energy: -143.109 flat angles P-C4'-P energy: -84.414 tors. eta vs tors. theta energy: -127.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1922.416186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.416186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.416186 (E_RNA) where: Base-Base interactions energy: -1300.632 where: short stacking energy: -542.932 Base-Backbone interact. energy: 0.197 local terms energy: -621.981323 where: bonds (distance) C4'-P energy: -130.780 bonds (distance) P-C4' energy: -155.866 flat angles C4'-P-C4' energy: -130.792 flat angles P-C4'-P energy: -77.789 tors. eta vs tors. theta energy: -126.754 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: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1683.107708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.107708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.107708 (E_RNA) where: Base-Base interactions energy: -1144.403 where: short stacking energy: -508.794 Base-Backbone interact. energy: -0.773 local terms energy: -537.930989 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -97.782 flat angles C4'-P-C4' energy: -155.844 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -80.068 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: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1264.403773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.403773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.403773 (E_RNA) where: Base-Base interactions energy: -765.450 where: short stacking energy: -369.385 Base-Backbone interact. energy: 2.023 local terms energy: -500.976666 where: bonds (distance) C4'-P energy: -127.847 bonds (distance) P-C4' energy: -147.828 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -32.980 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2907.139170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.139170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.139170 (E_RNA) where: Base-Base interactions energy: -2054.487 where: short stacking energy: -869.890 Base-Backbone interact. energy: 1.262 local terms energy: -853.913344 where: bonds (distance) C4'-P energy: -157.263 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -176.156 flat angles P-C4'-P energy: -124.547 tors. eta vs tors. theta energy: -238.158 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: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2816.735185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.735185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.735185 (E_RNA) where: Base-Base interactions energy: -1963.483 where: short stacking energy: -849.868 Base-Backbone interact. energy: -3.947 local terms energy: -849.305285 where: bonds (distance) C4'-P energy: -175.112 bonds (distance) P-C4' energy: -167.133 flat angles C4'-P-C4' energy: -170.854 flat angles P-C4'-P energy: -123.777 tors. eta vs tors. theta energy: -212.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2750.098696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.098696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.098696 (E_RNA) where: Base-Base interactions energy: -1970.650 where: short stacking energy: -824.313 Base-Backbone interact. energy: -2.838 local terms energy: -776.610885 where: bonds (distance) C4'-P energy: -147.941 bonds (distance) P-C4' energy: -136.446 flat angles C4'-P-C4' energy: -164.123 flat angles P-C4'-P energy: -104.935 tors. eta vs tors. theta energy: -223.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2681.098991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.098991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.098991 (E_RNA) where: Base-Base interactions energy: -1919.273 where: short stacking energy: -816.357 Base-Backbone interact. energy: 3.262 local terms energy: -765.087991 where: bonds (distance) C4'-P energy: -144.444 bonds (distance) P-C4' energy: -139.384 flat angles C4'-P-C4' energy: -178.522 flat angles P-C4'-P energy: -104.257 tors. eta vs tors. theta energy: -198.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2342.313050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.313050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.313050 (E_RNA) where: Base-Base interactions energy: -1625.537 where: short stacking energy: -689.996 Base-Backbone interact. energy: -1.572 local terms energy: -715.204062 where: bonds (distance) C4'-P energy: -146.209 bonds (distance) P-C4' energy: -144.230 flat angles C4'-P-C4' energy: -171.751 flat angles P-C4'-P energy: -88.370 tors. eta vs tors. theta energy: -164.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2307.773092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.773092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.773092 (E_RNA) where: Base-Base interactions energy: -1634.101 where: short stacking energy: -666.249 Base-Backbone interact. energy: -3.924 local terms energy: -669.748463 where: bonds (distance) C4'-P energy: -140.021 bonds (distance) P-C4' energy: -135.462 flat angles C4'-P-C4' energy: -153.196 flat angles P-C4'-P energy: -88.739 tors. eta vs tors. theta energy: -152.331 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: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1996.239087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.239087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.239087 (E_RNA) where: Base-Base interactions energy: -1331.954 where: short stacking energy: -589.913 Base-Backbone interact. energy: -2.507 local terms energy: -661.778167 where: bonds (distance) C4'-P energy: -121.854 bonds (distance) P-C4' energy: -158.363 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -146.979 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: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1883.257644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.257644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.257644 (E_RNA) where: Base-Base interactions energy: -1274.106 where: short stacking energy: -576.336 Base-Backbone interact. energy: 0.530 local terms energy: -609.681450 where: bonds (distance) C4'-P energy: -128.990 bonds (distance) P-C4' energy: -131.705 flat angles C4'-P-C4' energy: -134.940 flat angles P-C4'-P energy: -88.496 tors. eta vs tors. theta energy: -125.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1808.249693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.249693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.249693 (E_RNA) where: Base-Base interactions energy: -1193.337 where: short stacking energy: -564.881 Base-Backbone interact. energy: -0.336 local terms energy: -614.576720 where: bonds (distance) C4'-P energy: -120.791 bonds (distance) P-C4' energy: -124.256 flat angles C4'-P-C4' energy: -150.320 flat angles P-C4'-P energy: -91.139 tors. eta vs tors. theta energy: -128.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1345.580197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.580197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.580197 (E_RNA) where: Base-Base interactions energy: -847.670 where: short stacking energy: -387.088 Base-Backbone interact. energy: 12.004 local terms energy: -509.914211 where: bonds (distance) C4'-P energy: -131.730 bonds (distance) P-C4' energy: -125.278 flat angles C4'-P-C4' energy: -129.673 flat angles P-C4'-P energy: -75.284 tors. eta vs tors. theta energy: -47.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2908.122005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.122005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.122005 (E_RNA) where: Base-Base interactions energy: -2059.411 where: short stacking energy: -866.412 Base-Backbone interact. energy: -2.681 local terms energy: -846.029214 where: bonds (distance) C4'-P energy: -146.842 bonds (distance) P-C4' energy: -152.454 flat angles C4'-P-C4' energy: -192.079 flat angles P-C4'-P energy: -116.386 tors. eta vs tors. theta energy: -238.267 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: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2782.626390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.626390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.626390 (E_RNA) where: Base-Base interactions energy: -1975.675 where: short stacking energy: -851.851 Base-Backbone interact. energy: -1.809 local terms energy: -805.142306 where: bonds (distance) C4'-P energy: -156.887 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -107.622 tors. eta vs tors. theta energy: -214.700 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: 3, replica: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2737.925356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.925356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.925356 (E_RNA) where: Base-Base interactions energy: -1962.154 where: short stacking energy: -823.456 Base-Backbone interact. energy: -0.932 local terms energy: -774.839455 where: bonds (distance) C4'-P energy: -139.741 bonds (distance) P-C4' energy: -143.655 flat angles C4'-P-C4' energy: -179.085 flat angles P-C4'-P energy: -101.933 tors. eta vs tors. theta energy: -210.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2688.198764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.198764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.198764 (E_RNA) where: Base-Base interactions energy: -1923.926 where: short stacking energy: -794.683 Base-Backbone interact. energy: -4.935 local terms energy: -759.337518 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -123.863 flat angles C4'-P-C4' energy: -170.433 flat angles P-C4'-P energy: -106.454 tors. eta vs tors. theta energy: -218.025 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: 111 Temperature: 1.100000 Total energy: -2441.558022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.558022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.558022 (E_RNA) where: Base-Base interactions energy: -1693.317 where: short stacking energy: -712.322 Base-Backbone interact. energy: -3.245 local terms energy: -744.996551 where: bonds (distance) C4'-P energy: -154.423 bonds (distance) P-C4' energy: -149.456 flat angles C4'-P-C4' energy: -155.698 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -169.068 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: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2259.326341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.326341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.326341 (E_RNA) where: Base-Base interactions energy: -1587.544 where: short stacking energy: -649.300 Base-Backbone interact. energy: -1.395 local terms energy: -670.387447 where: bonds (distance) C4'-P energy: -133.963 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -163.680 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -150.204 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: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2026.126194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.126194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.126194 (E_RNA) where: Base-Base interactions energy: -1358.313 where: short stacking energy: -615.357 Base-Backbone interact. energy: 1.801 local terms energy: -669.614578 where: bonds (distance) C4'-P energy: -139.382 bonds (distance) P-C4' energy: -141.392 flat angles C4'-P-C4' energy: -160.234 flat angles P-C4'-P energy: -84.083 tors. eta vs tors. theta energy: -144.524 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: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1987.598484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.598484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.598484 (E_RNA) where: Base-Base interactions energy: -1375.470 where: short stacking energy: -594.821 Base-Backbone interact. energy: -0.370 local terms energy: -611.759115 where: bonds (distance) C4'-P energy: -138.250 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -142.709 flat angles P-C4'-P energy: -76.032 tors. eta vs tors. theta energy: -137.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1674.799717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.799717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.799717 (E_RNA) where: Base-Base interactions energy: -1145.245 where: short stacking energy: -515.054 Base-Backbone interact. energy: -4.430 local terms energy: -525.125133 where: bonds (distance) C4'-P energy: -102.500 bonds (distance) P-C4' energy: -136.291 flat angles C4'-P-C4' energy: -130.648 flat angles P-C4'-P energy: -68.176 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: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1317.337540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.337540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.337540 (E_RNA) where: Base-Base interactions energy: -839.032 where: short stacking energy: -402.359 Base-Backbone interact. energy: -0.538 local terms energy: -477.767284 where: bonds (distance) C4'-P energy: -124.499 bonds (distance) P-C4' energy: -130.974 flat angles C4'-P-C4' energy: -113.319 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -47.405 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: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2893.524119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.524119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.524119 (E_RNA) where: Base-Base interactions energy: -2021.777 where: short stacking energy: -853.120 Base-Backbone interact. energy: -3.101 local terms energy: -868.646618 where: bonds (distance) C4'-P energy: -152.219 bonds (distance) P-C4' energy: -158.202 flat angles C4'-P-C4' energy: -186.178 flat angles P-C4'-P energy: -140.196 tors. eta vs tors. theta energy: -231.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2822.061906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.061906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.061906 (E_RNA) where: Base-Base interactions energy: -1990.678 where: short stacking energy: -859.792 Base-Backbone interact. energy: -1.795 local terms energy: -829.588623 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -152.700 flat angles C4'-P-C4' energy: -190.471 flat angles P-C4'-P energy: -120.291 tors. eta vs tors. theta energy: -220.692 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: 9 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2731.346012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.346012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.346012 (E_RNA) where: Base-Base interactions energy: -1925.469 where: short stacking energy: -842.087 Base-Backbone interact. energy: -2.338 local terms energy: -803.539330 where: bonds (distance) C4'-P energy: -131.804 bonds (distance) P-C4' energy: -143.681 flat angles C4'-P-C4' energy: -184.324 flat angles P-C4'-P energy: -113.927 tors. eta vs tors. theta energy: -229.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2624.079682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.079682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.079682 (E_RNA) where: Base-Base interactions energy: -1824.066 where: short stacking energy: -782.300 Base-Backbone interact. energy: 0.191 local terms energy: -800.204432 where: bonds (distance) C4'-P energy: -145.164 bonds (distance) P-C4' energy: -146.038 flat angles C4'-P-C4' energy: -177.087 flat angles P-C4'-P energy: -122.910 tors. eta vs tors. theta energy: -209.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2425.256790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.256790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.256790 (E_RNA) where: Base-Base interactions energy: -1680.473 where: short stacking energy: -710.547 Base-Backbone interact. energy: -1.092 local terms energy: -743.691831 where: bonds (distance) C4'-P energy: -162.327 bonds (distance) P-C4' energy: -136.258 flat angles C4'-P-C4' energy: -160.394 flat angles P-C4'-P energy: -114.486 tors. eta vs tors. theta energy: -170.227 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: 112 Temperature: 1.150000 Total energy: -2205.472293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.472293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.472293 (E_RNA) where: Base-Base interactions energy: -1544.746 where: short stacking energy: -634.142 Base-Backbone interact. energy: -3.890 local terms energy: -656.836542 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -145.051 flat angles C4'-P-C4' energy: -154.721 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -144.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1999.670715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.670715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.670715 (E_RNA) where: Base-Base interactions energy: -1351.760 where: short stacking energy: -631.656 Base-Backbone interact. energy: -3.194 local terms energy: -644.716739 where: bonds (distance) C4'-P energy: -103.042 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -144.822 flat angles P-C4'-P energy: -96.532 tors. eta vs tors. theta energy: -152.075 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: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1973.743194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.743194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.743194 (E_RNA) where: Base-Base interactions energy: -1376.495 where: short stacking energy: -609.376 Base-Backbone interact. energy: -0.609 local terms energy: -596.638901 where: bonds (distance) C4'-P energy: -113.221 bonds (distance) P-C4' energy: -123.272 flat angles C4'-P-C4' energy: -142.946 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -131.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1663.114259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.114259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.114259 (E_RNA) where: Base-Base interactions energy: -1091.842 where: short stacking energy: -483.958 Base-Backbone interact. energy: -2.925 local terms energy: -568.347364 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -96.093 tors. eta vs tors. theta energy: -94.767 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: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1275.183188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.183188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.183188 (E_RNA) where: Base-Base interactions energy: -806.231 where: short stacking energy: -369.016 Base-Backbone interact. energy: -1.377 local terms energy: -467.575996 where: bonds (distance) C4'-P energy: -119.138 bonds (distance) P-C4' energy: -134.249 flat angles C4'-P-C4' energy: -108.806 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -41.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2911.799784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.799784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.799784 (E_RNA) where: Base-Base interactions energy: -2060.480 where: short stacking energy: -877.250 Base-Backbone interact. energy: -1.552 local terms energy: -849.767779 where: bonds (distance) C4'-P energy: -151.175 bonds (distance) P-C4' energy: -162.306 flat angles C4'-P-C4' energy: -178.962 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -243.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2832.187583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.187583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.187583 (E_RNA) where: Base-Base interactions energy: -2023.559 where: short stacking energy: -867.315 Base-Backbone interact. energy: -4.955 local terms energy: -803.674137 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -144.925 flat angles C4'-P-C4' energy: -183.917 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -219.176 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: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2760.094020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.094020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.094020 (E_RNA) where: Base-Base interactions energy: -1976.764 where: short stacking energy: -840.703 Base-Backbone interact. energy: -0.626 local terms energy: -782.703946 where: bonds (distance) C4'-P energy: -146.044 bonds (distance) P-C4' energy: -141.773 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -96.268 tors. eta vs tors. theta energy: -227.755 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: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2678.989150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.989150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.989150 (E_RNA) where: Base-Base interactions energy: -1879.997 where: short stacking energy: -812.839 Base-Backbone interact. energy: -3.248 local terms energy: -795.744826 where: bonds (distance) C4'-P energy: -145.987 bonds (distance) P-C4' energy: -162.567 flat angles C4'-P-C4' energy: -171.395 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -222.474 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: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2439.673669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.673669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.673669 (E_RNA) where: Base-Base interactions energy: -1701.533 where: short stacking energy: -742.989 Base-Backbone interact. energy: -4.381 local terms energy: -733.759081 where: bonds (distance) C4'-P energy: -136.545 bonds (distance) P-C4' energy: -130.332 flat angles C4'-P-C4' energy: -175.216 flat angles P-C4'-P energy: -109.017 tors. eta vs tors. theta energy: -182.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2257.238132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.238132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.238132 (E_RNA) where: Base-Base interactions energy: -1606.032 where: short stacking energy: -686.989 Base-Backbone interact. energy: 1.519 local terms energy: -652.724610 where: bonds (distance) C4'-P energy: -116.410 bonds (distance) P-C4' energy: -133.714 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -95.324 tors. eta vs tors. theta energy: -166.323 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: 3 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2050.377331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.377331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.377331 (E_RNA) where: Base-Base interactions energy: -1363.403 where: short stacking energy: -619.517 Base-Backbone interact. energy: -2.226 local terms energy: -684.748277 where: bonds (distance) C4'-P energy: -135.340 bonds (distance) P-C4' energy: -140.526 flat angles C4'-P-C4' energy: -172.009 flat angles P-C4'-P energy: -92.040 tors. eta vs tors. theta energy: -144.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -2030.913632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.913632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.913632 (E_RNA) where: Base-Base interactions energy: -1418.595 where: short stacking energy: -590.603 Base-Backbone interact. energy: -3.432 local terms energy: -608.885901 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -134.182 flat angles C4'-P-C4' energy: -115.698 flat angles P-C4'-P energy: -89.300 tors. eta vs tors. theta energy: -137.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1751.751260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.751260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.751260 (E_RNA) where: Base-Base interactions energy: -1184.206 where: short stacking energy: -497.593 Base-Backbone interact. energy: -1.327 local terms energy: -566.218813 where: bonds (distance) C4'-P energy: -119.599 bonds (distance) P-C4' energy: -120.245 flat angles C4'-P-C4' energy: -147.348 flat angles P-C4'-P energy: -70.126 tors. eta vs tors. theta energy: -108.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1249.076571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.076571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.076571 (E_RNA) where: Base-Base interactions energy: -779.284 where: short stacking energy: -342.862 Base-Backbone interact. energy: 7.412 local terms energy: -477.205070 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -135.725 flat angles C4'-P-C4' energy: -128.870 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -45.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2940.794902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.794902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.794902 (E_RNA) where: Base-Base interactions energy: -2066.848 where: short stacking energy: -878.527 Base-Backbone interact. energy: -3.833 local terms energy: -870.114116 where: bonds (distance) C4'-P energy: -159.190 bonds (distance) P-C4' energy: -166.905 flat angles C4'-P-C4' energy: -186.813 flat angles P-C4'-P energy: -116.329 tors. eta vs tors. theta energy: -240.877 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2793.094472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.094472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.094472 (E_RNA) where: Base-Base interactions energy: -1970.429 where: short stacking energy: -840.365 Base-Backbone interact. energy: 1.164 local terms energy: -823.829890 where: bonds (distance) C4'-P energy: -148.019 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -186.114 flat angles P-C4'-P energy: -108.176 tors. eta vs tors. theta energy: -220.842 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: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2723.112740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.112740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.112740 (E_RNA) where: Base-Base interactions energy: -1939.076 where: short stacking energy: -821.884 Base-Backbone interact. energy: -2.510 local terms energy: -781.525932 where: bonds (distance) C4'-P energy: -152.058 bonds (distance) P-C4' energy: -131.891 flat angles C4'-P-C4' energy: -171.077 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -225.038 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: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2664.154430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.154430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.154430 (E_RNA) where: Base-Base interactions energy: -1872.243 where: short stacking energy: -805.164 Base-Backbone interact. energy: -1.971 local terms energy: -789.940253 where: bonds (distance) C4'-P energy: -154.557 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -163.355 flat angles P-C4'-P energy: -116.723 tors. eta vs tors. theta energy: -220.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2461.225162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.225162 (E_RNA) where: Base-Base interactions energy: -1758.746 where: short stacking energy: -740.290 Base-Backbone interact. energy: 0.314 local terms energy: -702.792649 where: bonds (distance) C4'-P energy: -121.272 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -154.953 flat angles P-C4'-P energy: -103.349 tors. eta vs tors. theta energy: -184.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2313.533757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.533757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.533757 (E_RNA) where: Base-Base interactions energy: -1603.595 where: short stacking energy: -691.368 Base-Backbone interact. energy: -0.929 local terms energy: -709.009690 where: bonds (distance) C4'-P energy: -132.732 bonds (distance) P-C4' energy: -156.289 flat angles C4'-P-C4' energy: -164.553 flat angles P-C4'-P energy: -92.724 tors. eta vs tors. theta energy: -162.713 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: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2087.373297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.373297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.373297 (E_RNA) where: Base-Base interactions energy: -1442.419 where: short stacking energy: -628.535 Base-Backbone interact. energy: -4.697 local terms energy: -640.257107 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -151.948 flat angles C4'-P-C4' energy: -150.812 flat angles P-C4'-P energy: -71.029 tors. eta vs tors. theta energy: -154.889 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: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1936.417193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.417193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.417193 (E_RNA) where: Base-Base interactions energy: -1326.725 where: short stacking energy: -619.027 Base-Backbone interact. energy: -0.270 local terms energy: -609.421208 where: bonds (distance) C4'-P energy: -107.948 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -151.141 flat angles P-C4'-P energy: -84.641 tors. eta vs tors. theta energy: -144.229 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: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1699.562641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.562641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.562641 (E_RNA) where: Base-Base interactions energy: -1121.896 where: short stacking energy: -485.813 Base-Backbone interact. energy: 3.568 local terms energy: -581.234761 where: bonds (distance) C4'-P energy: -120.031 bonds (distance) P-C4' energy: -151.611 flat angles C4'-P-C4' energy: -130.101 flat angles P-C4'-P energy: -78.055 tors. eta vs tors. theta energy: -101.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1268.001189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.001189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.001189 (E_RNA) where: Base-Base interactions energy: -780.434 where: short stacking energy: -389.082 Base-Backbone interact. energy: 0.977 local terms energy: -488.544108 where: bonds (distance) C4'-P energy: -109.725 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -63.949 tors. eta vs tors. theta energy: -60.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2950.643043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.643043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.643043 (E_RNA) where: Base-Base interactions energy: -2084.348 where: short stacking energy: -883.696 Base-Backbone interact. energy: -0.451 local terms energy: -865.843485 where: bonds (distance) C4'-P energy: -154.443 bonds (distance) P-C4' energy: -156.059 flat angles C4'-P-C4' energy: -181.957 flat angles P-C4'-P energy: -124.642 tors. eta vs tors. theta energy: -248.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2811.606298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.606298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.606298 (E_RNA) where: Base-Base interactions energy: -1969.611 where: short stacking energy: -846.223 Base-Backbone interact. energy: -1.748 local terms energy: -840.246905 where: bonds (distance) C4'-P energy: -150.417 bonds (distance) P-C4' energy: -164.872 flat angles C4'-P-C4' energy: -180.800 flat angles P-C4'-P energy: -115.029 tors. eta vs tors. theta energy: -229.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2733.671033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.671033 (E_RNA) where: Base-Base interactions energy: -1906.647 where: short stacking energy: -815.987 Base-Backbone interact. energy: -4.303 local terms energy: -822.721134 where: bonds (distance) C4'-P energy: -149.833 bonds (distance) P-C4' energy: -160.488 flat angles C4'-P-C4' energy: -175.224 flat angles P-C4'-P energy: -125.465 tors. eta vs tors. theta energy: -211.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2679.008173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.008173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.008173 (E_RNA) where: Base-Base interactions energy: -1863.015 where: short stacking energy: -818.122 Base-Backbone interact. energy: -3.988 local terms energy: -812.005855 where: bonds (distance) C4'-P energy: -141.701 bonds (distance) P-C4' energy: -157.888 flat angles C4'-P-C4' energy: -167.748 flat angles P-C4'-P energy: -121.853 tors. eta vs tors. theta energy: -222.816 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: 115 Temperature: 1.100000 Total energy: -2475.393198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.393198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.393198 (E_RNA) where: Base-Base interactions energy: -1723.864 where: short stacking energy: -709.250 Base-Backbone interact. energy: -1.061 local terms energy: -750.468734 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -151.140 flat angles C4'-P-C4' energy: -164.832 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -184.803 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: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2276.857424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.857424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.857424 (E_RNA) where: Base-Base interactions energy: -1581.566 where: short stacking energy: -642.910 Base-Backbone interact. energy: -0.819 local terms energy: -694.472690 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -134.832 flat angles C4'-P-C4' energy: -155.126 flat angles P-C4'-P energy: -91.019 tors. eta vs tors. theta energy: -165.894 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: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2109.035934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.035934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.035934 (E_RNA) where: Base-Base interactions energy: -1454.964 where: short stacking energy: -626.271 Base-Backbone interact. energy: 2.834 local terms energy: -656.906512 where: bonds (distance) C4'-P energy: -133.400 bonds (distance) P-C4' energy: -134.488 flat angles C4'-P-C4' energy: -146.362 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -153.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1882.500295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.500295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.500295 (E_RNA) where: Base-Base interactions energy: -1244.829 where: short stacking energy: -562.782 Base-Backbone interact. energy: -2.316 local terms energy: -635.355544 where: bonds (distance) C4'-P energy: -129.032 bonds (distance) P-C4' energy: -140.029 flat angles C4'-P-C4' energy: -156.561 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: -123.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1679.044818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.044818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.044818 (E_RNA) where: Base-Base interactions energy: -1078.987 where: short stacking energy: -499.768 Base-Backbone interact. energy: -2.158 local terms energy: -597.899437 where: bonds (distance) C4'-P energy: -115.154 bonds (distance) P-C4' energy: -150.084 flat angles C4'-P-C4' energy: -147.454 flat angles P-C4'-P energy: -93.337 tors. eta vs tors. theta energy: -91.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1279.029326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.029326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.029326 (E_RNA) where: Base-Base interactions energy: -825.116 where: short stacking energy: -422.862 Base-Backbone interact. energy: 0.414 local terms energy: -454.327939 where: bonds (distance) C4'-P energy: -110.500 bonds (distance) P-C4' energy: -122.444 flat angles C4'-P-C4' energy: -92.820 flat angles P-C4'-P energy: -73.636 tors. eta vs tors. theta energy: -54.928 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: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2920.034676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.034676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.034676 (E_RNA) where: Base-Base interactions energy: -2079.571 where: short stacking energy: -880.488 Base-Backbone interact. energy: -2.680 local terms energy: -837.783135 where: bonds (distance) C4'-P energy: -157.139 bonds (distance) P-C4' energy: -145.678 flat angles C4'-P-C4' energy: -182.691 flat angles P-C4'-P energy: -112.607 tors. eta vs tors. theta energy: -239.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2823.205709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.205709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.205709 (E_RNA) where: Base-Base interactions energy: -2025.196 where: short stacking energy: -844.192 Base-Backbone interact. energy: 5.196 local terms energy: -803.205756 where: bonds (distance) C4'-P energy: -143.151 bonds (distance) P-C4' energy: -146.244 flat angles C4'-P-C4' energy: -179.157 flat angles P-C4'-P energy: -104.151 tors. eta vs tors. theta energy: -230.501 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: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2736.090814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.090814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.090814 (E_RNA) where: Base-Base interactions energy: -1892.164 where: short stacking energy: -844.160 Base-Backbone interact. energy: -2.479 local terms energy: -841.448558 where: bonds (distance) C4'-P energy: -152.767 bonds (distance) P-C4' energy: -152.820 flat angles C4'-P-C4' energy: -184.633 flat angles P-C4'-P energy: -117.338 tors. eta vs tors. theta energy: -233.891 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: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2653.471132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.471132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.471132 (E_RNA) where: Base-Base interactions energy: -1894.141 where: short stacking energy: -775.789 Base-Backbone interact. energy: 1.970 local terms energy: -761.299743 where: bonds (distance) C4'-P energy: -146.850 bonds (distance) P-C4' energy: -134.710 flat angles C4'-P-C4' energy: -160.893 flat angles P-C4'-P energy: -113.129 tors. eta vs tors. theta energy: -205.719 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: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2455.630369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.630369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.630369 (E_RNA) where: Base-Base interactions energy: -1731.557 where: short stacking energy: -727.624 Base-Backbone interact. energy: -3.579 local terms energy: -720.494153 where: bonds (distance) C4'-P energy: -145.180 bonds (distance) P-C4' energy: -142.565 flat angles C4'-P-C4' energy: -165.536 flat angles P-C4'-P energy: -88.022 tors. eta vs tors. theta energy: -179.191 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: 6, replica: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2293.885915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.885915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.885915 (E_RNA) where: Base-Base interactions energy: -1644.111 where: short stacking energy: -677.398 Base-Backbone interact. energy: -2.598 local terms energy: -647.177023 where: bonds (distance) C4'-P energy: -103.365 bonds (distance) P-C4' energy: -131.967 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -83.117 tors. eta vs tors. theta energy: -170.101 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: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2094.032394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.032394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.032394 (E_RNA) where: Base-Base interactions energy: -1451.645 where: short stacking energy: -631.918 Base-Backbone interact. energy: -3.141 local terms energy: -639.246628 where: bonds (distance) C4'-P energy: -103.478 bonds (distance) P-C4' energy: -144.370 flat angles C4'-P-C4' energy: -144.864 flat angles P-C4'-P energy: -93.648 tors. eta vs tors. theta energy: -152.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1780.518764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.518764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.518764 (E_RNA) where: Base-Base interactions energy: -1183.581 where: short stacking energy: -526.792 Base-Backbone interact. energy: 3.192 local terms energy: -600.129715 where: bonds (distance) C4'-P energy: -109.411 bonds (distance) P-C4' energy: -138.470 flat angles C4'-P-C4' energy: -157.113 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -111.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1661.083957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.083957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.083957 (E_RNA) where: Base-Base interactions energy: -1098.151 where: short stacking energy: -494.935 Base-Backbone interact. energy: -4.509 local terms energy: -558.424105 where: bonds (distance) C4'-P energy: -114.164 bonds (distance) P-C4' energy: -137.379 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -101.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1222.328505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.328505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.328505 (E_RNA) where: Base-Base interactions energy: -767.189 where: short stacking energy: -385.167 Base-Backbone interact. energy: 2.484 local terms energy: -457.623563 where: bonds (distance) C4'-P energy: -107.878 bonds (distance) P-C4' energy: -118.790 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: -47.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2917.356752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.356752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.356752 (E_RNA) where: Base-Base interactions energy: -2048.939 where: short stacking energy: -853.513 Base-Backbone interact. energy: 1.894 local terms energy: -870.311580 where: bonds (distance) C4'-P energy: -152.655 bonds (distance) P-C4' energy: -176.866 flat angles C4'-P-C4' energy: -181.732 flat angles P-C4'-P energy: -125.402 tors. eta vs tors. theta energy: -233.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2789.965943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.965943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.965943 (E_RNA) where: Base-Base interactions energy: -1963.694 where: short stacking energy: -832.527 Base-Backbone interact. energy: -3.099 local terms energy: -823.173650 where: bonds (distance) C4'-P energy: -157.228 bonds (distance) P-C4' energy: -140.810 flat angles C4'-P-C4' energy: -181.566 flat angles P-C4'-P energy: -121.708 tors. eta vs tors. theta energy: -221.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2730.723702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.723702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.723702 (E_RNA) where: Base-Base interactions energy: -1908.622 where: short stacking energy: -829.589 Base-Backbone interact. energy: -3.507 local terms energy: -818.594652 where: bonds (distance) C4'-P energy: -138.633 bonds (distance) P-C4' energy: -150.902 flat angles C4'-P-C4' energy: -184.517 flat angles P-C4'-P energy: -113.435 tors. eta vs tors. theta energy: -231.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2636.693898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.693898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.693898 (E_RNA) where: Base-Base interactions energy: -1880.412 where: short stacking energy: -776.699 Base-Backbone interact. energy: 1.507 local terms energy: -757.788182 where: bonds (distance) C4'-P energy: -139.469 bonds (distance) P-C4' energy: -133.982 flat angles C4'-P-C4' energy: -167.788 flat angles P-C4'-P energy: -118.030 tors. eta vs tors. theta energy: -198.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2421.606107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.606107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.606107 (E_RNA) where: Base-Base interactions energy: -1701.831 where: short stacking energy: -724.381 Base-Backbone interact. energy: -4.803 local terms energy: -714.971523 where: bonds (distance) C4'-P energy: -144.441 bonds (distance) P-C4' energy: -137.092 flat angles C4'-P-C4' energy: -175.577 flat angles P-C4'-P energy: -83.982 tors. eta vs tors. theta energy: -173.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2282.645334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.645334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.645334 (E_RNA) where: Base-Base interactions energy: -1568.856 where: short stacking energy: -670.517 Base-Backbone interact. energy: -3.303 local terms energy: -710.486503 where: bonds (distance) C4'-P energy: -112.605 bonds (distance) P-C4' energy: -145.863 flat angles C4'-P-C4' energy: -162.722 flat angles P-C4'-P energy: -112.346 tors. eta vs tors. theta energy: -176.950 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: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2106.061992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.061992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.061992 (E_RNA) where: Base-Base interactions energy: -1436.928 where: short stacking energy: -610.743 Base-Backbone interact. energy: -0.271 local terms energy: -668.863175 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -130.272 flat angles C4'-P-C4' energy: -163.297 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -133.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1720.706378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.706378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.706378 (E_RNA) where: Base-Base interactions energy: -1118.095 where: short stacking energy: -526.366 Base-Backbone interact. energy: -1.297 local terms energy: -601.313825 where: bonds (distance) C4'-P energy: -139.304 bonds (distance) P-C4' energy: -124.974 flat angles C4'-P-C4' energy: -142.024 flat angles P-C4'-P energy: -80.231 tors. eta vs tors. theta energy: -114.781 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: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1641.430511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.430511 (E_RNA) where: Base-Base interactions energy: -1042.021 where: short stacking energy: -476.598 Base-Backbone interact. energy: -2.155 local terms energy: -597.255174 where: bonds (distance) C4'-P energy: -122.529 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -151.579 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -91.314 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: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1180.663163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.663163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.663163 (E_RNA) where: Base-Base interactions energy: -707.959 where: short stacking energy: -367.683 Base-Backbone interact. energy: 0.690 local terms energy: -473.393494 where: bonds (distance) C4'-P energy: -127.564 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -111.962 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: -62.840 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: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2896.283794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.283794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.283794 (E_RNA) where: Base-Base interactions energy: -2032.668 where: short stacking energy: -849.339 Base-Backbone interact. energy: -3.624 local terms energy: -859.991501 where: bonds (distance) C4'-P energy: -148.109 bonds (distance) P-C4' energy: -166.253 flat angles C4'-P-C4' energy: -183.888 flat angles P-C4'-P energy: -124.220 tors. eta vs tors. theta energy: -237.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2786.470654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.470654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.470654 (E_RNA) where: Base-Base interactions energy: -1965.382 where: short stacking energy: -834.592 Base-Backbone interact. energy: -1.230 local terms energy: -819.859164 where: bonds (distance) C4'-P energy: -147.512 bonds (distance) P-C4' energy: -168.881 flat angles C4'-P-C4' energy: -170.239 flat angles P-C4'-P energy: -116.317 tors. eta vs tors. theta energy: -216.910 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: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2703.201301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.201301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.201301 (E_RNA) where: Base-Base interactions energy: -1942.360 where: short stacking energy: -815.514 Base-Backbone interact. energy: -1.473 local terms energy: -759.367981 where: bonds (distance) C4'-P energy: -117.513 bonds (distance) P-C4' energy: -161.169 flat angles C4'-P-C4' energy: -169.476 flat angles P-C4'-P energy: -101.739 tors. eta vs tors. theta energy: -209.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2640.631158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.631158 (E_RNA) where: Base-Base interactions energy: -1837.773 where: short stacking energy: -813.361 Base-Backbone interact. energy: -3.320 local terms energy: -799.538647 where: bonds (distance) C4'-P energy: -150.426 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -173.875 flat angles P-C4'-P energy: -108.401 tors. eta vs tors. theta energy: -214.104 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: 118 Temperature: 1.100000 Total energy: -2405.136062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.136062 (E_RNA) where: Base-Base interactions energy: -1700.300 where: short stacking energy: -731.004 Base-Backbone interact. energy: -3.938 local terms energy: -700.897971 where: bonds (distance) C4'-P energy: -130.697 bonds (distance) P-C4' energy: -134.027 flat angles C4'-P-C4' energy: -155.353 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -184.286 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: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2248.042541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.042541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.042541 (E_RNA) where: Base-Base interactions energy: -1562.177 where: short stacking energy: -679.962 Base-Backbone interact. energy: -1.077 local terms energy: -684.788482 where: bonds (distance) C4'-P energy: -126.652 bonds (distance) P-C4' energy: -128.958 flat angles C4'-P-C4' energy: -161.000 flat angles P-C4'-P energy: -95.456 tors. eta vs tors. theta energy: -172.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2119.305684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.305684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.305684 (E_RNA) where: Base-Base interactions energy: -1439.747 where: short stacking energy: -620.580 Base-Backbone interact. energy: -1.266 local terms energy: -678.292777 where: bonds (distance) C4'-P energy: -136.108 bonds (distance) P-C4' energy: -144.671 flat angles C4'-P-C4' energy: -163.893 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -150.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1806.104687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.104687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.104687 (E_RNA) where: Base-Base interactions energy: -1206.052 where: short stacking energy: -556.181 Base-Backbone interact. energy: 0.468 local terms energy: -600.521029 where: bonds (distance) C4'-P energy: -108.439 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -142.611 flat angles P-C4'-P energy: -78.938 tors. eta vs tors. theta energy: -127.063 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: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1628.661612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.661612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.661612 (E_RNA) where: Base-Base interactions energy: -1082.238 where: short stacking energy: -477.701 Base-Backbone interact. energy: 3.974 local terms energy: -550.397919 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -132.711 flat angles C4'-P-C4' energy: -137.822 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -93.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1137.110040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.110040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.110040 (E_RNA) where: Base-Base interactions energy: -653.550 where: short stacking energy: -330.748 Base-Backbone interact. energy: 4.522 local terms energy: -488.082373 where: bonds (distance) C4'-P energy: -128.575 bonds (distance) P-C4' energy: -122.446 flat angles C4'-P-C4' energy: -142.152 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -25.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2908.389115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.389115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.389115 (E_RNA) where: Base-Base interactions energy: -2034.125 where: short stacking energy: -865.200 Base-Backbone interact. energy: -2.701 local terms energy: -871.562481 where: bonds (distance) C4'-P energy: -161.761 bonds (distance) P-C4' energy: -167.042 flat angles C4'-P-C4' energy: -175.041 flat angles P-C4'-P energy: -125.349 tors. eta vs tors. theta energy: -242.370 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: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2773.834864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.834864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.834864 (E_RNA) where: Base-Base interactions energy: -1955.336 where: short stacking energy: -828.969 Base-Backbone interact. energy: 0.107 local terms energy: -818.606070 where: bonds (distance) C4'-P energy: -143.435 bonds (distance) P-C4' energy: -165.879 flat angles C4'-P-C4' energy: -171.379 flat angles P-C4'-P energy: -117.493 tors. eta vs tors. theta energy: -220.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2740.388489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.388489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.388489 (E_RNA) where: Base-Base interactions energy: -1973.305 where: short stacking energy: -822.796 Base-Backbone interact. energy: -1.817 local terms energy: -765.265932 where: bonds (distance) C4'-P energy: -147.155 bonds (distance) P-C4' energy: -147.251 flat angles C4'-P-C4' energy: -148.463 flat angles P-C4'-P energy: -115.888 tors. eta vs tors. theta energy: -206.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2658.549493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.549493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.549493 (E_RNA) where: Base-Base interactions energy: -1827.013 where: short stacking energy: -782.331 Base-Backbone interact. energy: -5.836 local terms energy: -825.701255 where: bonds (distance) C4'-P energy: -161.148 bonds (distance) P-C4' energy: -154.575 flat angles C4'-P-C4' energy: -174.738 flat angles P-C4'-P energy: -122.225 tors. eta vs tors. theta energy: -213.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2451.103962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.103962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.103962 (E_RNA) where: Base-Base interactions energy: -1699.954 where: short stacking energy: -704.505 Base-Backbone interact. energy: -4.305 local terms energy: -746.845303 where: bonds (distance) C4'-P energy: -147.580 bonds (distance) P-C4' energy: -143.205 flat angles C4'-P-C4' energy: -172.814 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -178.093 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2237.409568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.409568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.409568 (E_RNA) where: Base-Base interactions energy: -1550.569 where: short stacking energy: -670.239 Base-Backbone interact. energy: -0.570 local terms energy: -686.270959 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -148.583 flat angles P-C4'-P energy: -112.105 tors. eta vs tors. theta energy: -173.109 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2039.858100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.858100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.858100 (E_RNA) where: Base-Base interactions energy: -1367.529 where: short stacking energy: -631.869 Base-Backbone interact. energy: -3.489 local terms energy: -668.839574 where: bonds (distance) C4'-P energy: -127.847 bonds (distance) P-C4' energy: -143.973 flat angles C4'-P-C4' energy: -133.335 flat angles P-C4'-P energy: -110.545 tors. eta vs tors. theta energy: -153.139 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: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1808.122938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.122938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.122938 (E_RNA) where: Base-Base interactions energy: -1211.787 where: short stacking energy: -528.407 Base-Backbone interact. energy: -2.184 local terms energy: -594.152114 where: bonds (distance) C4'-P energy: -118.630 bonds (distance) P-C4' energy: -132.212 flat angles C4'-P-C4' energy: -141.067 flat angles P-C4'-P energy: -94.241 tors. eta vs tors. theta energy: -108.002 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: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1660.382899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.382899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.382899 (E_RNA) where: Base-Base interactions energy: -1091.300 where: short stacking energy: -508.529 Base-Backbone interact. energy: 7.913 local terms energy: -576.995951 where: bonds (distance) C4'-P energy: -130.955 bonds (distance) P-C4' energy: -124.530 flat angles C4'-P-C4' energy: -142.557 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -100.887 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: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1198.445975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.445975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.445975 (E_RNA) where: Base-Base interactions energy: -694.999 where: short stacking energy: -325.602 Base-Backbone interact. energy: -1.926 local terms energy: -501.521327 where: bonds (distance) C4'-P energy: -113.668 bonds (distance) P-C4' energy: -140.813 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -56.852 tors. eta vs tors. theta energy: -48.731 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: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2912.747668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.747668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.747668 (E_RNA) where: Base-Base interactions energy: -2060.146 where: short stacking energy: -889.108 Base-Backbone interact. energy: -1.319 local terms energy: -851.282812 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -154.705 flat angles C4'-P-C4' energy: -192.022 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -235.939 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: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2825.070110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.070110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.070110 (E_RNA) where: Base-Base interactions energy: -2029.105 where: short stacking energy: -864.715 Base-Backbone interact. energy: 3.274 local terms energy: -799.238768 where: bonds (distance) C4'-P energy: -141.567 bonds (distance) P-C4' energy: -145.434 flat angles C4'-P-C4' energy: -188.317 flat angles P-C4'-P energy: -116.220 tors. eta vs tors. theta energy: -207.700 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: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2702.672806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.672806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.672806 (E_RNA) where: Base-Base interactions energy: -1887.046 where: short stacking energy: -814.527 Base-Backbone interact. energy: -2.487 local terms energy: -813.140000 where: bonds (distance) C4'-P energy: -149.189 bonds (distance) P-C4' energy: -157.090 flat angles C4'-P-C4' energy: -176.726 flat angles P-C4'-P energy: -128.120 tors. eta vs tors. theta energy: -202.016 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: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2673.485319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.485319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.485319 (E_RNA) where: Base-Base interactions energy: -1883.472 where: short stacking energy: -764.103 Base-Backbone interact. energy: 0.360 local terms energy: -790.373425 where: bonds (distance) C4'-P energy: -145.597 bonds (distance) P-C4' energy: -168.694 flat angles C4'-P-C4' energy: -170.316 flat angles P-C4'-P energy: -99.156 tors. eta vs tors. theta energy: -206.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2400.120995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.120995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.120995 (E_RNA) where: Base-Base interactions energy: -1659.107 where: short stacking energy: -708.753 Base-Backbone interact. energy: -5.895 local terms energy: -735.118791 where: bonds (distance) C4'-P energy: -135.222 bonds (distance) P-C4' energy: -147.480 flat angles C4'-P-C4' energy: -166.398 flat angles P-C4'-P energy: -109.483 tors. eta vs tors. theta energy: -176.536 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: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2317.271814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.271814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.271814 (E_RNA) where: Base-Base interactions energy: -1595.021 where: short stacking energy: -637.471 Base-Backbone interact. energy: -5.780 local terms energy: -716.470934 where: bonds (distance) C4'-P energy: -121.054 bonds (distance) P-C4' energy: -158.470 flat angles C4'-P-C4' energy: -167.313 flat angles P-C4'-P energy: -94.641 tors. eta vs tors. theta energy: -174.993 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: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2050.890142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.890142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.890142 (E_RNA) where: Base-Base interactions energy: -1383.252 where: short stacking energy: -601.837 Base-Backbone interact. energy: 0.733 local terms energy: -668.370321 where: bonds (distance) C4'-P energy: -144.589 bonds (distance) P-C4' energy: -138.440 flat angles C4'-P-C4' energy: -139.303 flat angles P-C4'-P energy: -92.952 tors. eta vs tors. theta energy: -153.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1823.366347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.366347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.366347 (E_RNA) where: Base-Base interactions energy: -1232.458 where: short stacking energy: -552.155 Base-Backbone interact. energy: -1.121 local terms energy: -589.786580 where: bonds (distance) C4'-P energy: -127.177 bonds (distance) P-C4' energy: -139.427 flat angles C4'-P-C4' energy: -122.226 flat angles P-C4'-P energy: -86.778 tors. eta vs tors. theta energy: -114.178 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: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1662.930103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.930103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.930103 (E_RNA) where: Base-Base interactions energy: -1076.728 where: short stacking energy: -510.761 Base-Backbone interact. energy: -0.214 local terms energy: -585.988110 where: bonds (distance) C4'-P energy: -132.564 bonds (distance) P-C4' energy: -115.976 flat angles C4'-P-C4' energy: -141.753 flat angles P-C4'-P energy: -96.932 tors. eta vs tors. theta energy: -98.763 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: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1202.673456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.673456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.673456 (E_RNA) where: Base-Base interactions energy: -759.260 where: short stacking energy: -344.405 Base-Backbone interact. energy: 4.289 local terms energy: -447.702668 where: bonds (distance) C4'-P energy: -122.792 bonds (distance) P-C4' energy: -126.795 flat angles C4'-P-C4' energy: -126.729 flat angles P-C4'-P energy: -61.683 tors. eta vs tors. theta energy: -9.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2939.098311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.098311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.098311 (E_RNA) where: Base-Base interactions energy: -2073.762 where: short stacking energy: -893.418 Base-Backbone interact. energy: -0.942 local terms energy: -864.394081 where: bonds (distance) C4'-P energy: -159.644 bonds (distance) P-C4' energy: -154.719 flat angles C4'-P-C4' energy: -186.941 flat angles P-C4'-P energy: -110.957 tors. eta vs tors. theta energy: -252.134 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: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2819.952730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.952730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.952730 (E_RNA) where: Base-Base interactions energy: -1999.246 where: short stacking energy: -842.485 Base-Backbone interact. energy: 14.072 local terms energy: -834.779295 where: bonds (distance) C4'-P energy: -142.928 bonds (distance) P-C4' energy: -155.978 flat angles C4'-P-C4' energy: -186.325 flat angles P-C4'-P energy: -137.282 tors. eta vs tors. theta energy: -212.265 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: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2740.477060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.477060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.477060 (E_RNA) where: Base-Base interactions energy: -1925.373 where: short stacking energy: -806.788 Base-Backbone interact. energy: -4.720 local terms energy: -810.384077 where: bonds (distance) C4'-P energy: -154.089 bonds (distance) P-C4' energy: -158.022 flat angles C4'-P-C4' energy: -171.004 flat angles P-C4'-P energy: -116.835 tors. eta vs tors. theta energy: -210.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2631.965117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.965117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.965117 (E_RNA) where: Base-Base interactions energy: -1850.459 where: short stacking energy: -789.608 Base-Backbone interact. energy: -1.262 local terms energy: -780.243628 where: bonds (distance) C4'-P energy: -124.372 bonds (distance) P-C4' energy: -155.113 flat angles C4'-P-C4' energy: -172.102 flat angles P-C4'-P energy: -106.333 tors. eta vs tors. theta energy: -222.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2399.502348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.502348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.502348 (E_RNA) where: Base-Base interactions energy: -1680.902 where: short stacking energy: -693.048 Base-Backbone interact. energy: -4.522 local terms energy: -714.077868 where: bonds (distance) C4'-P energy: -130.922 bonds (distance) P-C4' energy: -149.371 flat angles C4'-P-C4' energy: -148.100 flat angles P-C4'-P energy: -100.700 tors. eta vs tors. theta energy: -184.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2281.964469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.964469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.964469 (E_RNA) where: Base-Base interactions energy: -1573.716 where: short stacking energy: -676.300 Base-Backbone interact. energy: -0.040 local terms energy: -708.208757 where: bonds (distance) C4'-P energy: -135.245 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -154.527 flat angles P-C4'-P energy: -92.656 tors. eta vs tors. theta energy: -176.787 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: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2144.829091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.829091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.829091 (E_RNA) where: Base-Base interactions energy: -1480.856 where: short stacking energy: -639.088 Base-Backbone interact. energy: -1.357 local terms energy: -662.615849 where: bonds (distance) C4'-P energy: -125.208 bonds (distance) P-C4' energy: -124.110 flat angles C4'-P-C4' energy: -143.196 flat angles P-C4'-P energy: -113.021 tors. eta vs tors. theta energy: -157.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1804.899771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.899771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.899771 (E_RNA) where: Base-Base interactions energy: -1198.300 where: short stacking energy: -543.955 Base-Backbone interact. energy: -2.744 local terms energy: -603.855411 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -140.486 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -94.640 tors. eta vs tors. theta energy: -97.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1643.901245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.901245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.901245 (E_RNA) where: Base-Base interactions energy: -1080.249 where: short stacking energy: -496.829 Base-Backbone interact. energy: 3.040 local terms energy: -566.692331 where: bonds (distance) C4'-P energy: -133.359 bonds (distance) P-C4' energy: -130.272 flat angles C4'-P-C4' energy: -114.832 flat angles P-C4'-P energy: -91.091 tors. eta vs tors. theta energy: -97.139 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: 10, replica: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1297.621786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.621786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.621786 (E_RNA) where: Base-Base interactions energy: -822.406 where: short stacking energy: -377.319 Base-Backbone interact. energy: 4.919 local terms energy: -480.134132 where: bonds (distance) C4'-P energy: -115.964 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -110.053 flat angles P-C4'-P energy: -66.148 tors. eta vs tors. theta energy: -48.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2907.216237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.216237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.216237 (E_RNA) where: Base-Base interactions energy: -2068.408 where: short stacking energy: -892.268 Base-Backbone interact. energy: -2.687 local terms energy: -836.121816 where: bonds (distance) C4'-P energy: -168.606 bonds (distance) P-C4' energy: -144.642 flat angles C4'-P-C4' energy: -177.819 flat angles P-C4'-P energy: -103.370 tors. eta vs tors. theta energy: -241.685 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: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2873.583661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.583661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.583661 (E_RNA) where: Base-Base interactions energy: -2032.238 where: short stacking energy: -883.878 Base-Backbone interact. energy: -2.400 local terms energy: -838.946189 where: bonds (distance) C4'-P energy: -150.555 bonds (distance) P-C4' energy: -149.331 flat angles C4'-P-C4' energy: -190.719 flat angles P-C4'-P energy: -126.947 tors. eta vs tors. theta energy: -221.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2739.540289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.540289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.540289 (E_RNA) where: Base-Base interactions energy: -1953.624 where: short stacking energy: -816.791 Base-Backbone interact. energy: -5.329 local terms energy: -780.587406 where: bonds (distance) C4'-P energy: -143.771 bonds (distance) P-C4' energy: -149.949 flat angles C4'-P-C4' energy: -165.689 flat angles P-C4'-P energy: -102.685 tors. eta vs tors. theta energy: -218.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2607.346967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.346967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.346967 (E_RNA) where: Base-Base interactions energy: -1812.207 where: short stacking energy: -755.781 Base-Backbone interact. energy: -6.116 local terms energy: -789.024456 where: bonds (distance) C4'-P energy: -143.388 bonds (distance) P-C4' energy: -142.133 flat angles C4'-P-C4' energy: -170.856 flat angles P-C4'-P energy: -121.563 tors. eta vs tors. theta energy: -211.084 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: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2446.431755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.431755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.431755 (E_RNA) where: Base-Base interactions energy: -1709.430 where: short stacking energy: -704.827 Base-Backbone interact. energy: -3.799 local terms energy: -733.202484 where: bonds (distance) C4'-P energy: -132.437 bonds (distance) P-C4' energy: -149.447 flat angles C4'-P-C4' energy: -163.540 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -178.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2337.298425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.298425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.298425 (E_RNA) where: Base-Base interactions energy: -1612.772 where: short stacking energy: -697.961 Base-Backbone interact. energy: 0.575 local terms energy: -725.100875 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -141.720 flat angles C4'-P-C4' energy: -148.939 flat angles P-C4'-P energy: -102.471 tors. eta vs tors. theta energy: -186.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2060.490360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.490360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.490360 (E_RNA) where: Base-Base interactions energy: -1395.665 where: short stacking energy: -592.275 Base-Backbone interact. energy: -2.710 local terms energy: -662.115759 where: bonds (distance) C4'-P energy: -129.763 bonds (distance) P-C4' energy: -130.345 flat angles C4'-P-C4' energy: -164.800 flat angles P-C4'-P energy: -93.788 tors. eta vs tors. theta energy: -143.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1802.870614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.870614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.870614 (E_RNA) where: Base-Base interactions energy: -1232.678 where: short stacking energy: -567.117 Base-Backbone interact. energy: 1.343 local terms energy: -571.536071 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -116.911 flat angles C4'-P-C4' energy: -151.560 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -109.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1607.368307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.368307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.368307 (E_RNA) where: Base-Base interactions energy: -1046.812 where: short stacking energy: -476.717 Base-Backbone interact. energy: 2.511 local terms energy: -563.067216 where: bonds (distance) C4'-P energy: -116.639 bonds (distance) P-C4' energy: -148.069 flat angles C4'-P-C4' energy: -122.098 flat angles P-C4'-P energy: -85.574 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: 10, replica: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1209.080884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.080884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.080884 (E_RNA) where: Base-Base interactions energy: -762.554 where: short stacking energy: -359.517 Base-Backbone interact. energy: 2.213 local terms energy: -448.739852 where: bonds (distance) C4'-P energy: -104.458 bonds (distance) P-C4' energy: -125.728 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -36.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2925.933691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.933691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.933691 (E_RNA) where: Base-Base interactions energy: -2039.722 where: short stacking energy: -884.444 Base-Backbone interact. energy: 1.943 local terms energy: -888.154293 where: bonds (distance) C4'-P energy: -162.364 bonds (distance) P-C4' energy: -178.817 flat angles C4'-P-C4' energy: -182.049 flat angles P-C4'-P energy: -120.455 tors. eta vs tors. theta energy: -244.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2849.949513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.949513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.949513 (E_RNA) where: Base-Base interactions energy: -2027.977 where: short stacking energy: -843.717 Base-Backbone interact. energy: -5.985 local terms energy: -815.987936 where: bonds (distance) C4'-P energy: -144.277 bonds (distance) P-C4' energy: -158.384 flat angles C4'-P-C4' energy: -162.169 flat angles P-C4'-P energy: -128.541 tors. eta vs tors. theta energy: -222.617 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: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2719.168938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.168938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.168938 (E_RNA) where: Base-Base interactions energy: -1930.823 where: short stacking energy: -813.932 Base-Backbone interact. energy: -2.520 local terms energy: -785.825545 where: bonds (distance) C4'-P energy: -136.484 bonds (distance) P-C4' energy: -153.078 flat angles C4'-P-C4' energy: -176.222 flat angles P-C4'-P energy: -109.667 tors. eta vs tors. theta energy: -210.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2530.264839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.264839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.264839 (E_RNA) where: Base-Base interactions energy: -1764.189 where: short stacking energy: -761.649 Base-Backbone interact. energy: -1.298 local terms energy: -764.777992 where: bonds (distance) C4'-P energy: -126.220 bonds (distance) P-C4' energy: -157.048 flat angles C4'-P-C4' energy: -176.939 flat angles P-C4'-P energy: -108.613 tors. eta vs tors. theta energy: -195.958 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2527.737963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.737963 (E_RNA) where: Base-Base interactions energy: -1765.443 where: short stacking energy: -771.687 Base-Backbone interact. energy: 2.074 local terms energy: -764.369179 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -145.989 flat angles C4'-P-C4' energy: -171.171 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -209.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2260.138477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.138477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.138477 (E_RNA) where: Base-Base interactions energy: -1556.621 where: short stacking energy: -659.532 Base-Backbone interact. energy: -2.380 local terms energy: -701.138096 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -131.879 flat angles C4'-P-C4' energy: -160.541 flat angles P-C4'-P energy: -106.196 tors. eta vs tors. theta energy: -169.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2102.895084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.895084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.895084 (E_RNA) where: Base-Base interactions energy: -1432.058 where: short stacking energy: -642.468 Base-Backbone interact. energy: -3.367 local terms energy: -667.470505 where: bonds (distance) C4'-P energy: -149.214 bonds (distance) P-C4' energy: -140.779 flat angles C4'-P-C4' energy: -147.787 flat angles P-C4'-P energy: -90.124 tors. eta vs tors. theta energy: -139.567 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: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1839.636138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.636138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.636138 (E_RNA) where: Base-Base interactions energy: -1273.768 where: short stacking energy: -553.947 Base-Backbone interact. energy: 5.767 local terms energy: -571.635785 where: bonds (distance) C4'-P energy: -127.277 bonds (distance) P-C4' energy: -129.649 flat angles C4'-P-C4' energy: -134.925 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -116.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1650.635718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.635718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.635718 (E_RNA) where: Base-Base interactions energy: -1106.944 where: short stacking energy: -515.761 Base-Backbone interact. energy: -1.969 local terms energy: -541.723226 where: bonds (distance) C4'-P energy: -119.521 bonds (distance) P-C4' energy: -118.079 flat angles C4'-P-C4' energy: -142.011 flat angles P-C4'-P energy: -64.870 tors. eta vs tors. theta energy: -97.242 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: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1228.653670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.653670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.653670 (E_RNA) where: Base-Base interactions energy: -746.906 where: short stacking energy: -381.566 Base-Backbone interact. energy: 0.021 local terms energy: -481.768215 where: bonds (distance) C4'-P energy: -110.624 bonds (distance) P-C4' energy: -138.876 flat angles C4'-P-C4' energy: -112.261 flat angles P-C4'-P energy: -86.984 tors. eta vs tors. theta energy: -33.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2930.080551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.080551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.080551 (E_RNA) where: Base-Base interactions energy: -2067.718 where: short stacking energy: -851.480 Base-Backbone interact. energy: -2.083 local terms energy: -860.279763 where: bonds (distance) C4'-P energy: -161.342 bonds (distance) P-C4' energy: -162.454 flat angles C4'-P-C4' energy: -184.741 flat angles P-C4'-P energy: -113.826 tors. eta vs tors. theta energy: -237.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2864.843175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.843175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.843175 (E_RNA) where: Base-Base interactions energy: -2031.718 where: short stacking energy: -851.157 Base-Backbone interact. energy: -3.095 local terms energy: -830.030286 where: bonds (distance) C4'-P energy: -144.691 bonds (distance) P-C4' energy: -153.996 flat angles C4'-P-C4' energy: -178.300 flat angles P-C4'-P energy: -126.389 tors. eta vs tors. theta energy: -226.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2742.547318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.547318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.547318 (E_RNA) where: Base-Base interactions energy: -1926.002 where: short stacking energy: -812.082 Base-Backbone interact. energy: -3.535 local terms energy: -813.010169 where: bonds (distance) C4'-P energy: -139.740 bonds (distance) P-C4' energy: -167.876 flat angles C4'-P-C4' energy: -190.553 flat angles P-C4'-P energy: -109.963 tors. eta vs tors. theta energy: -204.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2423.422385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.422385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.422385 (E_RNA) where: Base-Base interactions energy: -1717.879 where: short stacking energy: -718.479 Base-Backbone interact. energy: 4.294 local terms energy: -709.837044 where: bonds (distance) C4'-P energy: -137.594 bonds (distance) P-C4' energy: -150.859 flat angles C4'-P-C4' energy: -179.889 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -158.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2524.547541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.547541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.547541 (E_RNA) where: Base-Base interactions energy: -1776.780 where: short stacking energy: -753.649 Base-Backbone interact. energy: 2.670 local terms energy: -750.437752 where: bonds (distance) C4'-P energy: -119.758 bonds (distance) P-C4' energy: -144.821 flat angles C4'-P-C4' energy: -178.173 flat angles P-C4'-P energy: -112.358 tors. eta vs tors. theta energy: -195.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2243.222068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.222068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.222068 (E_RNA) where: Base-Base interactions energy: -1548.452 where: short stacking energy: -652.007 Base-Backbone interact. energy: 4.887 local terms energy: -699.656501 where: bonds (distance) C4'-P energy: -152.363 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -159.694 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -158.058 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2151.923239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.923239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.923239 (E_RNA) where: Base-Base interactions energy: -1508.061 where: short stacking energy: -621.742 Base-Backbone interact. energy: -0.101 local terms energy: -643.760648 where: bonds (distance) C4'-P energy: -122.195 bonds (distance) P-C4' energy: -138.973 flat angles C4'-P-C4' energy: -147.539 flat angles P-C4'-P energy: -99.013 tors. eta vs tors. theta energy: -136.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1806.384235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.384235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.384235 (E_RNA) where: Base-Base interactions energy: -1194.540 where: short stacking energy: -525.857 Base-Backbone interact. energy: 7.116 local terms energy: -618.960620 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -146.693 flat angles C4'-P-C4' energy: -151.398 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: -114.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1675.600535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.600535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.600535 (E_RNA) where: Base-Base interactions energy: -1133.766 where: short stacking energy: -486.937 Base-Backbone interact. energy: -1.649 local terms energy: -540.185701 where: bonds (distance) C4'-P energy: -137.325 bonds (distance) P-C4' energy: -124.527 flat angles C4'-P-C4' energy: -118.894 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: -106.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1386.478887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.478887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.478887 (E_RNA) where: Base-Base interactions energy: -878.130 where: short stacking energy: -403.260 Base-Backbone interact. energy: 0.372 local terms energy: -508.720770 where: bonds (distance) C4'-P energy: -126.237 bonds (distance) P-C4' energy: -146.780 flat angles C4'-P-C4' energy: -114.333 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: -60.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2960.241691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.241691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.241691 (E_RNA) where: Base-Base interactions energy: -2067.757 where: short stacking energy: -906.734 Base-Backbone interact. energy: -3.423 local terms energy: -889.061442 where: bonds (distance) C4'-P energy: -164.317 bonds (distance) P-C4' energy: -165.204 flat angles C4'-P-C4' energy: -195.778 flat angles P-C4'-P energy: -114.961 tors. eta vs tors. theta energy: -248.802 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: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2882.719234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.719234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.719234 (E_RNA) where: Base-Base interactions energy: -2029.062 where: short stacking energy: -841.685 Base-Backbone interact. energy: -3.015 local terms energy: -850.641958 where: bonds (distance) C4'-P energy: -174.956 bonds (distance) P-C4' energy: -161.590 flat angles C4'-P-C4' energy: -179.134 flat angles P-C4'-P energy: -116.233 tors. eta vs tors. theta energy: -218.729 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: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2709.273857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.273857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.273857 (E_RNA) where: Base-Base interactions energy: -1913.453 where: short stacking energy: -816.455 Base-Backbone interact. energy: -4.187 local terms energy: -791.633983 where: bonds (distance) C4'-P energy: -142.311 bonds (distance) P-C4' energy: -151.429 flat angles C4'-P-C4' energy: -177.125 flat angles P-C4'-P energy: -110.236 tors. eta vs tors. theta energy: -210.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2618.090015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.090015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.090015 (E_RNA) where: Base-Base interactions energy: -1864.935 where: short stacking energy: -768.275 Base-Backbone interact. energy: -4.341 local terms energy: -748.814198 where: bonds (distance) C4'-P energy: -157.028 bonds (distance) P-C4' energy: -140.009 flat angles C4'-P-C4' energy: -168.640 flat angles P-C4'-P energy: -90.573 tors. eta vs tors. theta energy: -192.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2426.824905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.824905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.824905 (E_RNA) where: Base-Base interactions energy: -1700.769 where: short stacking energy: -715.267 Base-Backbone interact. energy: 0.788 local terms energy: -726.844074 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -132.792 flat angles C4'-P-C4' energy: -165.594 flat angles P-C4'-P energy: -109.925 tors. eta vs tors. theta energy: -181.475 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: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2244.854709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.854709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.854709 (E_RNA) where: Base-Base interactions energy: -1569.749 where: short stacking energy: -683.468 Base-Backbone interact. energy: 0.718 local terms energy: -675.824235 where: bonds (distance) C4'-P energy: -142.080 bonds (distance) P-C4' energy: -137.489 flat angles C4'-P-C4' energy: -146.833 flat angles P-C4'-P energy: -79.983 tors. eta vs tors. theta energy: -169.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2116.543741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.543741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.543741 (E_RNA) where: Base-Base interactions energy: -1441.207 where: short stacking energy: -597.548 Base-Backbone interact. energy: -1.888 local terms energy: -673.449337 where: bonds (distance) C4'-P energy: -128.819 bonds (distance) P-C4' energy: -125.819 flat angles C4'-P-C4' energy: -156.622 flat angles P-C4'-P energy: -114.228 tors. eta vs tors. theta energy: -147.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1834.824228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.824228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.824228 (E_RNA) where: Base-Base interactions energy: -1232.747 where: short stacking energy: -584.033 Base-Backbone interact. energy: 2.667 local terms energy: -604.744305 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -132.240 flat angles C4'-P-C4' energy: -148.071 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -108.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1750.050938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.050938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.050938 (E_RNA) where: Base-Base interactions energy: -1201.425 where: short stacking energy: -523.893 Base-Backbone interact. energy: 6.967 local terms energy: -555.592460 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -132.349 flat angles C4'-P-C4' energy: -118.945 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: -108.571 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: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1365.829189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.829189 (E_RNA) where: Base-Base interactions energy: -845.955 where: short stacking energy: -420.577 Base-Backbone interact. energy: -1.367 local terms energy: -518.507166 where: bonds (distance) C4'-P energy: -122.404 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -70.890 tors. eta vs tors. theta energy: -72.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2924.573759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.573759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.573759 (E_RNA) where: Base-Base interactions energy: -2076.050 where: short stacking energy: -861.120 Base-Backbone interact. energy: -4.003 local terms energy: -844.520880 where: bonds (distance) C4'-P energy: -153.475 bonds (distance) P-C4' energy: -163.566 flat angles C4'-P-C4' energy: -170.865 flat angles P-C4'-P energy: -112.499 tors. eta vs tors. theta energy: -244.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2884.248916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.248916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.248916 (E_RNA) where: Base-Base interactions energy: -2057.799 where: short stacking energy: -860.087 Base-Backbone interact. energy: -3.345 local terms energy: -823.104878 where: bonds (distance) C4'-P energy: -156.489 bonds (distance) P-C4' energy: -160.329 flat angles C4'-P-C4' energy: -174.236 flat angles P-C4'-P energy: -118.218 tors. eta vs tors. theta energy: -213.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2708.218479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.218479 (E_RNA) where: Base-Base interactions energy: -1906.595 where: short stacking energy: -812.893 Base-Backbone interact. energy: -3.316 local terms energy: -798.308008 where: bonds (distance) C4'-P energy: -138.640 bonds (distance) P-C4' energy: -160.391 flat angles C4'-P-C4' energy: -185.280 flat angles P-C4'-P energy: -109.518 tors. eta vs tors. theta energy: -204.480 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2665.023348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.023348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.023348 (E_RNA) where: Base-Base interactions energy: -1882.117 where: short stacking energy: -789.000 Base-Backbone interact. energy: -4.162 local terms energy: -778.743859 where: bonds (distance) C4'-P energy: -132.009 bonds (distance) P-C4' energy: -143.855 flat angles C4'-P-C4' energy: -180.150 flat angles P-C4'-P energy: -122.414 tors. eta vs tors. theta energy: -200.317 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: 126 Temperature: 1.100000 Total energy: -2433.248225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.248225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.248225 (E_RNA) where: Base-Base interactions energy: -1713.246 where: short stacking energy: -704.939 Base-Backbone interact. energy: 0.039 local terms energy: -720.041363 where: bonds (distance) C4'-P energy: -137.805 bonds (distance) P-C4' energy: -143.192 flat angles C4'-P-C4' energy: -162.473 flat angles P-C4'-P energy: -99.442 tors. eta vs tors. theta energy: -177.129 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: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2217.408020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.408020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.408020 (E_RNA) where: Base-Base interactions energy: -1514.812 where: short stacking energy: -683.090 Base-Backbone interact. energy: -2.292 local terms energy: -700.303902 where: bonds (distance) C4'-P energy: -117.339 bonds (distance) P-C4' energy: -125.722 flat angles C4'-P-C4' energy: -162.092 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -190.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2141.983022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.983022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.983022 (E_RNA) where: Base-Base interactions energy: -1521.736 where: short stacking energy: -614.736 Base-Backbone interact. energy: 3.219 local terms energy: -623.466069 where: bonds (distance) C4'-P energy: -134.365 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -142.833 flat angles P-C4'-P energy: -77.859 tors. eta vs tors. theta energy: -140.065 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: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1854.654795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.654795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.654795 (E_RNA) where: Base-Base interactions energy: -1237.859 where: short stacking energy: -553.588 Base-Backbone interact. energy: -2.777 local terms energy: -614.017993 where: bonds (distance) C4'-P energy: -128.144 bonds (distance) P-C4' energy: -129.053 flat angles C4'-P-C4' energy: -119.412 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -122.172 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: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1718.897399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.897399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.897399 (E_RNA) where: Base-Base interactions energy: -1142.144 where: short stacking energy: -501.240 Base-Backbone interact. energy: 5.842 local terms energy: -582.595544 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -128.135 flat angles C4'-P-C4' energy: -132.699 flat angles P-C4'-P energy: -79.628 tors. eta vs tors. theta energy: -108.053 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: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1354.769338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.769338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.769338 (E_RNA) where: Base-Base interactions energy: -836.050 where: short stacking energy: -408.856 Base-Backbone interact. energy: 0.516 local terms energy: -519.234680 where: bonds (distance) C4'-P energy: -130.395 bonds (distance) P-C4' energy: -142.450 flat angles C4'-P-C4' energy: -108.123 flat angles P-C4'-P energy: -68.270 tors. eta vs tors. theta energy: -69.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2948.186128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.186128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.186128 (E_RNA) where: Base-Base interactions energy: -2106.360 where: short stacking energy: -888.796 Base-Backbone interact. energy: -2.693 local terms energy: -839.133046 where: bonds (distance) C4'-P energy: -161.807 bonds (distance) P-C4' energy: -157.372 flat angles C4'-P-C4' energy: -176.916 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -238.128 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: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2900.200553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.200553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.200553 (E_RNA) where: Base-Base interactions energy: -2068.105 where: short stacking energy: -850.330 Base-Backbone interact. energy: -1.246 local terms energy: -830.848770 where: bonds (distance) C4'-P energy: -147.421 bonds (distance) P-C4' energy: -162.906 flat angles C4'-P-C4' energy: -175.075 flat angles P-C4'-P energy: -133.964 tors. eta vs tors. theta energy: -211.482 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: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2745.187008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.187008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.187008 (E_RNA) where: Base-Base interactions energy: -1964.201 where: short stacking energy: -825.769 Base-Backbone interact. energy: -2.537 local terms energy: -778.449669 where: bonds (distance) C4'-P energy: -125.659 bonds (distance) P-C4' energy: -158.367 flat angles C4'-P-C4' energy: -171.920 flat angles P-C4'-P energy: -108.858 tors. eta vs tors. theta energy: -213.646 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: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2680.597232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.597232 (E_RNA) where: Base-Base interactions energy: -1905.849 where: short stacking energy: -774.192 Base-Backbone interact. energy: -1.425 local terms energy: -773.323034 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -149.223 flat angles C4'-P-C4' energy: -170.845 flat angles P-C4'-P energy: -123.499 tors. eta vs tors. theta energy: -199.941 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: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2465.227916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.227916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.227916 (E_RNA) where: Base-Base interactions energy: -1753.955 where: short stacking energy: -731.361 Base-Backbone interact. energy: -3.043 local terms energy: -708.230375 where: bonds (distance) C4'-P energy: -132.742 bonds (distance) P-C4' energy: -150.049 flat angles C4'-P-C4' energy: -158.384 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -171.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2274.953010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.953010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.953010 (E_RNA) where: Base-Base interactions energy: -1538.758 where: short stacking energy: -673.578 Base-Backbone interact. energy: -4.839 local terms energy: -731.355609 where: bonds (distance) C4'-P energy: -132.870 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -171.592 flat angles P-C4'-P energy: -99.240 tors. eta vs tors. theta energy: -175.910 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: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2098.009491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.009491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.009491 (E_RNA) where: Base-Base interactions energy: -1446.314 where: short stacking energy: -601.181 Base-Backbone interact. energy: 2.037 local terms energy: -653.732214 where: bonds (distance) C4'-P energy: -117.953 bonds (distance) P-C4' energy: -139.736 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -98.146 tors. eta vs tors. theta energy: -144.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1901.262971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.262971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.262971 (E_RNA) where: Base-Base interactions energy: -1281.786 where: short stacking energy: -604.019 Base-Backbone interact. energy: -2.151 local terms energy: -617.326398 where: bonds (distance) C4'-P energy: -131.330 bonds (distance) P-C4' energy: -118.671 flat angles C4'-P-C4' energy: -142.855 flat angles P-C4'-P energy: -86.989 tors. eta vs tors. theta energy: -137.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1730.347565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.347565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.347565 (E_RNA) where: Base-Base interactions energy: -1149.131 where: short stacking energy: -560.492 Base-Backbone interact. energy: 0.624 local terms energy: -581.840794 where: bonds (distance) C4'-P energy: -119.598 bonds (distance) P-C4' energy: -120.530 flat angles C4'-P-C4' energy: -126.795 flat angles P-C4'-P energy: -84.135 tors. eta vs tors. theta energy: -130.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1368.866871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.866871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.866871 (E_RNA) where: Base-Base interactions energy: -843.851 where: short stacking energy: -411.159 Base-Backbone interact. energy: 0.398 local terms energy: -525.414011 where: bonds (distance) C4'-P energy: -132.610 bonds (distance) P-C4' energy: -131.732 flat angles C4'-P-C4' energy: -118.525 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: -69.250 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: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2899.518449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.518449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.518449 (E_RNA) where: Base-Base interactions energy: -2043.205 where: short stacking energy: -858.840 Base-Backbone interact. energy: 3.507 local terms energy: -859.820647 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -155.719 flat angles C4'-P-C4' energy: -181.996 flat angles P-C4'-P energy: -131.121 tors. eta vs tors. theta energy: -233.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2863.734740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.734740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.734740 (E_RNA) where: Base-Base interactions energy: -2047.189 where: short stacking energy: -848.707 Base-Backbone interact. energy: -4.074 local terms energy: -812.471957 where: bonds (distance) C4'-P energy: -155.305 bonds (distance) P-C4' energy: -149.947 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -120.865 tors. eta vs tors. theta energy: -211.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2754.985437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.985437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.985437 (E_RNA) where: Base-Base interactions energy: -1950.955 where: short stacking energy: -794.808 Base-Backbone interact. energy: -5.564 local terms energy: -798.466507 where: bonds (distance) C4'-P energy: -131.944 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -192.237 flat angles P-C4'-P energy: -117.891 tors. eta vs tors. theta energy: -207.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2656.060393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.060393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.060393 (E_RNA) where: Base-Base interactions energy: -1869.256 where: short stacking energy: -785.478 Base-Backbone interact. energy: -3.254 local terms energy: -783.551347 where: bonds (distance) C4'-P energy: -163.261 bonds (distance) P-C4' energy: -158.821 flat angles C4'-P-C4' energy: -163.150 flat angles P-C4'-P energy: -95.243 tors. eta vs tors. theta energy: -203.077 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: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2416.274602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.274602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.274602 (E_RNA) where: Base-Base interactions energy: -1697.302 where: short stacking energy: -730.289 Base-Backbone interact. energy: -0.849 local terms energy: -718.123085 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -138.837 flat angles C4'-P-C4' energy: -162.744 flat angles P-C4'-P energy: -97.084 tors. eta vs tors. theta energy: -186.955 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: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2303.966487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.966487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.966487 (E_RNA) where: Base-Base interactions energy: -1593.666 where: short stacking energy: -701.972 Base-Backbone interact. energy: -1.892 local terms energy: -708.408867 where: bonds (distance) C4'-P energy: -131.794 bonds (distance) P-C4' energy: -142.710 flat angles C4'-P-C4' energy: -165.923 flat angles P-C4'-P energy: -88.765 tors. eta vs tors. theta energy: -179.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2072.145381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.145381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.145381 (E_RNA) where: Base-Base interactions energy: -1396.843 where: short stacking energy: -619.358 Base-Backbone interact. energy: -5.127 local terms energy: -670.174859 where: bonds (distance) C4'-P energy: -145.704 bonds (distance) P-C4' energy: -142.599 flat angles C4'-P-C4' energy: -146.418 flat angles P-C4'-P energy: -90.299 tors. eta vs tors. theta energy: -145.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1861.046810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.046810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.046810 (E_RNA) where: Base-Base interactions energy: -1255.339 where: short stacking energy: -556.503 Base-Backbone interact. energy: -0.975 local terms energy: -604.733135 where: bonds (distance) C4'-P energy: -122.937 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -149.316 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: -118.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1682.424673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.424673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.424673 (E_RNA) where: Base-Base interactions energy: -1127.547 where: short stacking energy: -488.836 Base-Backbone interact. energy: -2.859 local terms energy: -552.018122 where: bonds (distance) C4'-P energy: -122.858 bonds (distance) P-C4' energy: -125.089 flat angles C4'-P-C4' energy: -137.670 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -98.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1354.961680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.961680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.961680 (E_RNA) where: Base-Base interactions energy: -873.875 where: short stacking energy: -419.193 Base-Backbone interact. energy: -3.336 local terms energy: -477.750644 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -108.370 flat angles P-C4'-P energy: -70.492 tors. eta vs tors. theta energy: -58.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2926.903414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.903414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.903414 (E_RNA) where: Base-Base interactions energy: -2051.476 where: short stacking energy: -866.554 Base-Backbone interact. energy: -1.568 local terms energy: -873.858778 where: bonds (distance) C4'-P energy: -164.937 bonds (distance) P-C4' energy: -170.601 flat angles C4'-P-C4' energy: -187.745 flat angles P-C4'-P energy: -116.878 tors. eta vs tors. theta energy: -233.698 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: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2835.503182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.503182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.503182 (E_RNA) where: Base-Base interactions energy: -2032.731 where: short stacking energy: -798.593 Base-Backbone interact. energy: 0.684 local terms energy: -803.455787 where: bonds (distance) C4'-P energy: -146.507 bonds (distance) P-C4' energy: -152.185 flat angles C4'-P-C4' energy: -172.241 flat angles P-C4'-P energy: -119.330 tors. eta vs tors. theta energy: -213.193 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: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2750.654569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.654569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.654569 (E_RNA) where: Base-Base interactions energy: -1952.936 where: short stacking energy: -800.728 Base-Backbone interact. energy: -2.816 local terms energy: -794.902416 where: bonds (distance) C4'-P energy: -149.577 bonds (distance) P-C4' energy: -151.813 flat angles C4'-P-C4' energy: -164.057 flat angles P-C4'-P energy: -115.103 tors. eta vs tors. theta energy: -214.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2653.900467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.900467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.900467 (E_RNA) where: Base-Base interactions energy: -1876.181 where: short stacking energy: -807.737 Base-Backbone interact. energy: -3.837 local terms energy: -773.882673 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -156.927 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -99.348 tors. eta vs tors. theta energy: -203.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2497.120221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.120221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.120221 (E_RNA) where: Base-Base interactions energy: -1787.885 where: short stacking energy: -714.293 Base-Backbone interact. energy: -0.866 local terms energy: -708.369224 where: bonds (distance) C4'-P energy: -142.583 bonds (distance) P-C4' energy: -161.652 flat angles C4'-P-C4' energy: -144.234 flat angles P-C4'-P energy: -87.189 tors. eta vs tors. theta energy: -172.712 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: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2286.395011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.395011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.395011 (E_RNA) where: Base-Base interactions energy: -1592.431 where: short stacking energy: -699.240 Base-Backbone interact. energy: -3.963 local terms energy: -690.000438 where: bonds (distance) C4'-P energy: -133.601 bonds (distance) P-C4' energy: -134.524 flat angles C4'-P-C4' energy: -142.326 flat angles P-C4'-P energy: -102.626 tors. eta vs tors. theta energy: -176.923 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: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2055.356446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.356446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.356446 (E_RNA) where: Base-Base interactions energy: -1415.152 where: short stacking energy: -607.056 Base-Backbone interact. energy: 3.331 local terms energy: -643.535512 where: bonds (distance) C4'-P energy: -133.442 bonds (distance) P-C4' energy: -133.088 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -102.893 tors. eta vs tors. theta energy: -120.902 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: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1878.003169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.003169 (E_RNA) where: Base-Base interactions energy: -1256.084 where: short stacking energy: -560.085 Base-Backbone interact. energy: -4.427 local terms energy: -617.492090 where: bonds (distance) C4'-P energy: -118.281 bonds (distance) P-C4' energy: -148.846 flat angles C4'-P-C4' energy: -144.615 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -121.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1725.626764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.626764 (E_RNA) where: Base-Base interactions energy: -1147.814 where: short stacking energy: -512.905 Base-Backbone interact. energy: -3.043 local terms energy: -574.769878 where: bonds (distance) C4'-P energy: -136.075 bonds (distance) P-C4' energy: -130.046 flat angles C4'-P-C4' energy: -128.368 flat angles P-C4'-P energy: -68.823 tors. eta vs tors. theta energy: -111.459 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: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1334.584478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.584478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.584478 (E_RNA) where: Base-Base interactions energy: -819.531 where: short stacking energy: -378.332 Base-Backbone interact. energy: -1.913 local terms energy: -513.140247 where: bonds (distance) C4'-P energy: -137.494 bonds (distance) P-C4' energy: -132.275 flat angles C4'-P-C4' energy: -128.420 flat angles P-C4'-P energy: -77.603 tors. eta vs tors. theta energy: -37.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2964.552625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.552625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.552625 (E_RNA) where: Base-Base interactions energy: -2082.976 where: short stacking energy: -866.981 Base-Backbone interact. energy: -1.165 local terms energy: -880.411620 where: bonds (distance) C4'-P energy: -174.190 bonds (distance) P-C4' energy: -164.864 flat angles C4'-P-C4' energy: -185.522 flat angles P-C4'-P energy: -121.766 tors. eta vs tors. theta energy: -234.070 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: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2851.621241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.621241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.621241 (E_RNA) where: Base-Base interactions energy: -2007.424 where: short stacking energy: -855.809 Base-Backbone interact. energy: -1.512 local terms energy: -842.684982 where: bonds (distance) C4'-P energy: -165.601 bonds (distance) P-C4' energy: -164.554 flat angles C4'-P-C4' energy: -169.491 flat angles P-C4'-P energy: -111.265 tors. eta vs tors. theta energy: -231.774 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: 130 Temperature: 1.000000 Total energy: -2726.955419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.955419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.955419 (E_RNA) where: Base-Base interactions energy: -1921.007 where: short stacking energy: -791.333 Base-Backbone interact. energy: 1.869 local terms energy: -807.816945 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -155.330 flat angles C4'-P-C4' energy: -185.951 flat angles P-C4'-P energy: -117.069 tors. eta vs tors. theta energy: -205.315 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: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2624.279946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.279946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.279946 (E_RNA) where: Base-Base interactions energy: -1851.894 where: short stacking energy: -764.810 Base-Backbone interact. energy: -1.122 local terms energy: -771.264583 where: bonds (distance) C4'-P energy: -140.624 bonds (distance) P-C4' energy: -158.358 flat angles C4'-P-C4' energy: -166.910 flat angles P-C4'-P energy: -119.492 tors. eta vs tors. theta energy: -185.882 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: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2461.749839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.749839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.749839 (E_RNA) where: Base-Base interactions energy: -1728.977 where: short stacking energy: -710.041 Base-Backbone interact. energy: -0.492 local terms energy: -732.280818 where: bonds (distance) C4'-P energy: -140.962 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -169.788 flat angles P-C4'-P energy: -107.948 tors. eta vs tors. theta energy: -169.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2279.240983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.240983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.240983 (E_RNA) where: Base-Base interactions energy: -1555.091 where: short stacking energy: -679.712 Base-Backbone interact. energy: 1.671 local terms energy: -725.820679 where: bonds (distance) C4'-P energy: -134.346 bonds (distance) P-C4' energy: -156.381 flat angles C4'-P-C4' energy: -164.347 flat angles P-C4'-P energy: -103.467 tors. eta vs tors. theta energy: -167.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2046.744963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.744963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.744963 (E_RNA) where: Base-Base interactions energy: -1416.142 where: short stacking energy: -617.076 Base-Backbone interact. energy: -0.908 local terms energy: -629.695038 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -120.300 flat angles C4'-P-C4' energy: -158.470 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -130.666 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1813.333390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.333390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.333390 (E_RNA) where: Base-Base interactions energy: -1210.185 where: short stacking energy: -557.901 Base-Backbone interact. energy: -3.025 local terms energy: -600.122829 where: bonds (distance) C4'-P energy: -127.796 bonds (distance) P-C4' energy: -129.372 flat angles C4'-P-C4' energy: -133.624 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -115.985 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: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1654.838034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.838034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.838034 (E_RNA) where: Base-Base interactions energy: -1120.439 where: short stacking energy: -512.776 Base-Backbone interact. energy: 3.143 local terms energy: -537.542287 where: bonds (distance) C4'-P energy: -122.980 bonds (distance) P-C4' energy: -141.508 flat angles C4'-P-C4' energy: -120.979 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -102.936 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: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1298.626921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.626921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.626921 (E_RNA) where: Base-Base interactions energy: -848.035 where: short stacking energy: -397.609 Base-Backbone interact. energy: -1.017 local terms energy: -449.575234 where: bonds (distance) C4'-P energy: -114.907 bonds (distance) P-C4' energy: -114.343 flat angles C4'-P-C4' energy: -118.146 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -48.002 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: 1, replica: 2 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2944.500404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.500404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.500404 (E_RNA) where: Base-Base interactions energy: -2089.946 where: short stacking energy: -870.498 Base-Backbone interact. energy: -3.792 local terms energy: -850.762662 where: bonds (distance) C4'-P energy: -159.720 bonds (distance) P-C4' energy: -158.097 flat angles C4'-P-C4' energy: -179.715 flat angles P-C4'-P energy: -122.458 tors. eta vs tors. theta energy: -230.773 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: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2848.020699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.020699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.020699 (E_RNA) where: Base-Base interactions energy: -2016.597 where: short stacking energy: -862.986 Base-Backbone interact. energy: -4.048 local terms energy: -827.375731 where: bonds (distance) C4'-P energy: -165.384 bonds (distance) P-C4' energy: -145.445 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -115.078 tors. eta vs tors. theta energy: -228.426 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: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2757.668095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.668095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.668095 (E_RNA) where: Base-Base interactions energy: -1965.517 where: short stacking energy: -817.827 Base-Backbone interact. energy: 2.365 local terms energy: -794.516035 where: bonds (distance) C4'-P energy: -143.991 bonds (distance) P-C4' energy: -159.456 flat angles C4'-P-C4' energy: -161.820 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -210.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2622.697515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.697515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.697515 (E_RNA) where: Base-Base interactions energy: -1831.746 where: short stacking energy: -744.104 Base-Backbone interact. energy: 0.959 local terms energy: -791.910713 where: bonds (distance) C4'-P energy: -148.996 bonds (distance) P-C4' energy: -160.766 flat angles C4'-P-C4' energy: -169.395 flat angles P-C4'-P energy: -115.844 tors. eta vs tors. theta energy: -196.909 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: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2433.723143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.723143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.723143 (E_RNA) where: Base-Base interactions energy: -1715.471 where: short stacking energy: -698.822 Base-Backbone interact. energy: -3.480 local terms energy: -714.772171 where: bonds (distance) C4'-P energy: -136.992 bonds (distance) P-C4' energy: -154.420 flat angles C4'-P-C4' energy: -149.628 flat angles P-C4'-P energy: -112.501 tors. eta vs tors. theta energy: -161.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2325.224020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.224020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.224020 (E_RNA) where: Base-Base interactions energy: -1642.399 where: short stacking energy: -708.644 Base-Backbone interact. energy: -1.289 local terms energy: -681.535987 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -134.030 flat angles C4'-P-C4' energy: -161.519 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -178.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1987.445712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.445712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.445712 (E_RNA) where: Base-Base interactions energy: -1356.408 where: short stacking energy: -601.981 Base-Backbone interact. energy: -0.711 local terms energy: -630.326758 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -143.765 flat angles C4'-P-C4' energy: -134.066 flat angles P-C4'-P energy: -88.682 tors. eta vs tors. theta energy: -130.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1854.974156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.974156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.974156 (E_RNA) where: Base-Base interactions energy: -1263.669 where: short stacking energy: -568.233 Base-Backbone interact. energy: -0.682 local terms energy: -590.623330 where: bonds (distance) C4'-P energy: -112.988 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -137.589 flat angles P-C4'-P energy: -90.735 tors. eta vs tors. theta energy: -121.612 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: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1659.766309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.766309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.766309 (E_RNA) where: Base-Base interactions energy: -1096.712 where: short stacking energy: -496.625 Base-Backbone interact. energy: 5.151 local terms energy: -568.205190 where: bonds (distance) C4'-P energy: -127.338 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -85.634 tors. eta vs tors. theta energy: -86.097 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: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1211.908636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.908636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.908636 (E_RNA) where: Base-Base interactions energy: -749.568 where: short stacking energy: -349.709 Base-Backbone interact. energy: 7.836 local terms energy: -470.176019 where: bonds (distance) C4'-P energy: -116.395 bonds (distance) P-C4' energy: -115.054 flat angles C4'-P-C4' energy: -123.595 flat angles P-C4'-P energy: -80.161 tors. eta vs tors. theta energy: -34.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2948.583682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.583682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.583682 (E_RNA) where: Base-Base interactions energy: -2092.657 where: short stacking energy: -877.502 Base-Backbone interact. energy: -3.992 local terms energy: -851.934274 where: bonds (distance) C4'-P energy: -159.630 bonds (distance) P-C4' energy: -161.366 flat angles C4'-P-C4' energy: -185.976 flat angles P-C4'-P energy: -114.950 tors. eta vs tors. theta energy: -230.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2837.550563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.550563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.550563 (E_RNA) where: Base-Base interactions energy: -2003.363 where: short stacking energy: -836.617 Base-Backbone interact. energy: -0.684 local terms energy: -833.503282 where: bonds (distance) C4'-P energy: -141.930 bonds (distance) P-C4' energy: -152.875 flat angles C4'-P-C4' energy: -183.033 flat angles P-C4'-P energy: -124.013 tors. eta vs tors. theta energy: -231.652 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: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2716.658963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.658963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.658963 (E_RNA) where: Base-Base interactions energy: -1923.030 where: short stacking energy: -832.310 Base-Backbone interact. energy: -3.182 local terms energy: -790.446721 where: bonds (distance) C4'-P energy: -149.608 bonds (distance) P-C4' energy: -137.779 flat angles C4'-P-C4' energy: -176.584 flat angles P-C4'-P energy: -104.287 tors. eta vs tors. theta energy: -222.189 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: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2646.975710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.975710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.975710 (E_RNA) where: Base-Base interactions energy: -1879.915 where: short stacking energy: -752.356 Base-Backbone interact. energy: -2.367 local terms energy: -764.693237 where: bonds (distance) C4'-P energy: -145.968 bonds (distance) P-C4' energy: -158.550 flat angles C4'-P-C4' energy: -172.249 flat angles P-C4'-P energy: -98.817 tors. eta vs tors. theta energy: -189.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2407.352810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.352810 (E_RNA) where: Base-Base interactions energy: -1681.319 where: short stacking energy: -698.005 Base-Backbone interact. energy: -0.990 local terms energy: -725.043700 where: bonds (distance) C4'-P energy: -135.978 bonds (distance) P-C4' energy: -143.998 flat angles C4'-P-C4' energy: -162.719 flat angles P-C4'-P energy: -104.684 tors. eta vs tors. theta energy: -177.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2306.801995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.801995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.801995 (E_RNA) where: Base-Base interactions energy: -1588.443 where: short stacking energy: -714.010 Base-Backbone interact. energy: -1.986 local terms energy: -716.372914 where: bonds (distance) C4'-P energy: -138.367 bonds (distance) P-C4' energy: -131.658 flat angles C4'-P-C4' energy: -179.266 flat angles P-C4'-P energy: -86.177 tors. eta vs tors. theta energy: -180.905 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: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2070.120551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.120551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.120551 (E_RNA) where: Base-Base interactions energy: -1398.093 where: short stacking energy: -620.304 Base-Backbone interact. energy: -1.670 local terms energy: -670.357671 where: bonds (distance) C4'-P energy: -133.287 bonds (distance) P-C4' energy: -136.196 flat angles C4'-P-C4' energy: -151.202 flat angles P-C4'-P energy: -101.989 tors. eta vs tors. theta energy: -147.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1892.820993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.820993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.820993 (E_RNA) where: Base-Base interactions energy: -1263.148 where: short stacking energy: -581.272 Base-Backbone interact. energy: 0.053 local terms energy: -629.726627 where: bonds (distance) C4'-P energy: -109.909 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -154.753 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -128.140 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1639.969479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.969479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.969479 (E_RNA) where: Base-Base interactions energy: -1072.320 where: short stacking energy: -473.300 Base-Backbone interact. energy: 5.695 local terms energy: -573.344920 where: bonds (distance) C4'-P energy: -108.756 bonds (distance) P-C4' energy: -135.976 flat angles C4'-P-C4' energy: -143.296 flat angles P-C4'-P energy: -81.191 tors. eta vs tors. theta energy: -104.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1188.857935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.857935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.857935 (E_RNA) where: Base-Base interactions energy: -700.748 where: short stacking energy: -366.568 Base-Backbone interact. energy: -1.332 local terms energy: -486.778278 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -103.455 flat angles P-C4'-P energy: -93.229 tors. eta vs tors. theta energy: -40.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2944.412347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.412347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.412347 (E_RNA) where: Base-Base interactions energy: -2103.048 where: short stacking energy: -893.609 Base-Backbone interact. energy: -3.134 local terms energy: -838.230256 where: bonds (distance) C4'-P energy: -141.694 bonds (distance) P-C4' energy: -163.523 flat angles C4'-P-C4' energy: -172.360 flat angles P-C4'-P energy: -120.534 tors. eta vs tors. theta energy: -240.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2867.694886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.694886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.694886 (E_RNA) where: Base-Base interactions energy: -2009.104 where: short stacking energy: -838.846 Base-Backbone interact. energy: -1.765 local terms energy: -856.826019 where: bonds (distance) C4'-P energy: -153.465 bonds (distance) P-C4' energy: -158.323 flat angles C4'-P-C4' energy: -183.842 flat angles P-C4'-P energy: -130.114 tors. eta vs tors. theta energy: -231.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2748.470387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.470387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.470387 (E_RNA) where: Base-Base interactions energy: -1953.952 where: short stacking energy: -831.699 Base-Backbone interact. energy: -4.122 local terms energy: -790.395853 where: bonds (distance) C4'-P energy: -146.396 bonds (distance) P-C4' energy: -145.554 flat angles C4'-P-C4' energy: -167.847 flat angles P-C4'-P energy: -114.296 tors. eta vs tors. theta energy: -216.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2644.086520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.086520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.086520 (E_RNA) where: Base-Base interactions energy: -1876.112 where: short stacking energy: -765.057 Base-Backbone interact. energy: -2.124 local terms energy: -765.849563 where: bonds (distance) C4'-P energy: -142.222 bonds (distance) P-C4' energy: -143.411 flat angles C4'-P-C4' energy: -175.508 flat angles P-C4'-P energy: -112.696 tors. eta vs tors. theta energy: -192.013 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2439.066270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.066270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.066270 (E_RNA) where: Base-Base interactions energy: -1709.343 where: short stacking energy: -717.562 Base-Backbone interact. energy: -1.049 local terms energy: -728.673877 where: bonds (distance) C4'-P energy: -136.607 bonds (distance) P-C4' energy: -130.134 flat angles C4'-P-C4' energy: -169.978 flat angles P-C4'-P energy: -105.533 tors. eta vs tors. theta energy: -186.422 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: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2355.470735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.470735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.470735 (E_RNA) where: Base-Base interactions energy: -1645.361 where: short stacking energy: -734.103 Base-Backbone interact. energy: -3.134 local terms energy: -706.975250 where: bonds (distance) C4'-P energy: -147.490 bonds (distance) P-C4' energy: -137.253 flat angles C4'-P-C4' energy: -157.061 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -179.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2010.186095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.186095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.186095 (E_RNA) where: Base-Base interactions energy: -1369.217 where: short stacking energy: -598.710 Base-Backbone interact. energy: -1.066 local terms energy: -639.903251 where: bonds (distance) C4'-P energy: -131.602 bonds (distance) P-C4' energy: -126.958 flat angles C4'-P-C4' energy: -141.998 flat angles P-C4'-P energy: -104.190 tors. eta vs tors. theta energy: -135.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1882.092137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.092137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.092137 (E_RNA) where: Base-Base interactions energy: -1274.219 where: short stacking energy: -559.429 Base-Backbone interact. energy: -2.182 local terms energy: -605.691567 where: bonds (distance) C4'-P energy: -140.513 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -146.073 flat angles P-C4'-P energy: -71.581 tors. eta vs tors. theta energy: -113.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1632.515270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.515270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.515270 (E_RNA) where: Base-Base interactions energy: -1078.828 where: short stacking energy: -491.076 Base-Backbone interact. energy: -1.900 local terms energy: -551.787748 where: bonds (distance) C4'-P energy: -110.510 bonds (distance) P-C4' energy: -141.547 flat angles C4'-P-C4' energy: -142.453 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -91.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1156.895483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.895483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.895483 (E_RNA) where: Base-Base interactions energy: -700.570 where: short stacking energy: -353.871 Base-Backbone interact. energy: -0.471 local terms energy: -455.853819 where: bonds (distance) C4'-P energy: -109.782 bonds (distance) P-C4' energy: -115.138 flat angles C4'-P-C4' energy: -125.981 flat angles P-C4'-P energy: -51.036 tors. eta vs tors. theta energy: -53.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3013.186757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.186757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.186757 (E_RNA) where: Base-Base interactions energy: -2129.693 where: short stacking energy: -929.856 Base-Backbone interact. energy: -3.921 local terms energy: -879.571888 where: bonds (distance) C4'-P energy: -152.142 bonds (distance) P-C4' energy: -175.461 flat angles C4'-P-C4' energy: -189.189 flat angles P-C4'-P energy: -123.897 tors. eta vs tors. theta energy: -238.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2879.110152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.110152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.110152 (E_RNA) where: Base-Base interactions energy: -2031.025 where: short stacking energy: -889.300 Base-Backbone interact. energy: -2.956 local terms energy: -845.129954 where: bonds (distance) C4'-P energy: -153.295 bonds (distance) P-C4' energy: -146.447 flat angles C4'-P-C4' energy: -180.248 flat angles P-C4'-P energy: -121.621 tors. eta vs tors. theta energy: -243.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2744.529556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.529556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.529556 (E_RNA) where: Base-Base interactions energy: -1935.542 where: short stacking energy: -819.010 Base-Backbone interact. energy: -4.100 local terms energy: -804.887625 where: bonds (distance) C4'-P energy: -163.963 bonds (distance) P-C4' energy: -153.134 flat angles C4'-P-C4' energy: -163.189 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -219.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2619.839938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.839938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.839938 (E_RNA) where: Base-Base interactions energy: -1852.355 where: short stacking energy: -775.715 Base-Backbone interact. energy: -6.576 local terms energy: -760.908680 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -141.638 flat angles C4'-P-C4' energy: -169.746 flat angles P-C4'-P energy: -118.423 tors. eta vs tors. theta energy: -197.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2446.369843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.369843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.369843 (E_RNA) where: Base-Base interactions energy: -1733.749 where: short stacking energy: -724.922 Base-Backbone interact. energy: -0.992 local terms energy: -711.628577 where: bonds (distance) C4'-P energy: -128.073 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -160.148 flat angles P-C4'-P energy: -107.875 tors. eta vs tors. theta energy: -175.703 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2355.093381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.093381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.093381 (E_RNA) where: Base-Base interactions energy: -1654.291 where: short stacking energy: -701.828 Base-Backbone interact. energy: -4.234 local terms energy: -696.569216 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -147.202 flat angles P-C4'-P energy: -103.876 tors. eta vs tors. theta energy: -177.680 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: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1987.699218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.699218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.699218 (E_RNA) where: Base-Base interactions energy: -1380.432 where: short stacking energy: -597.016 Base-Backbone interact. energy: -0.624 local terms energy: -606.642907 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -127.667 flat angles C4'-P-C4' energy: -146.785 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1885.345452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.345452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.345452 (E_RNA) where: Base-Base interactions energy: -1289.440 where: short stacking energy: -563.575 Base-Backbone interact. energy: -1.109 local terms energy: -594.796958 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -125.013 flat angles C4'-P-C4' energy: -139.405 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -114.829 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1625.605762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.605762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.605762 (E_RNA) where: Base-Base interactions energy: -1055.400 where: short stacking energy: -459.161 Base-Backbone interact. energy: 3.667 local terms energy: -573.873045 where: bonds (distance) C4'-P energy: -149.160 bonds (distance) P-C4' energy: -141.371 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -77.680 tors. eta vs tors. theta energy: -72.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1131.532585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.532585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.532585 (E_RNA) where: Base-Base interactions energy: -670.580 where: short stacking energy: -337.896 Base-Backbone interact. energy: 4.260 local terms energy: -465.213207 where: bonds (distance) C4'-P energy: -119.159 bonds (distance) P-C4' energy: -132.828 flat angles C4'-P-C4' energy: -131.449 flat angles P-C4'-P energy: -52.929 tors. eta vs tors. theta energy: -28.848 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: 2 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2945.225365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.225365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.225365 (E_RNA) where: Base-Base interactions energy: -2102.758 where: short stacking energy: -893.011 Base-Backbone interact. energy: 1.298 local terms energy: -843.765192 where: bonds (distance) C4'-P energy: -164.811 bonds (distance) P-C4' energy: -142.042 flat angles C4'-P-C4' energy: -181.407 flat angles P-C4'-P energy: -129.963 tors. eta vs tors. theta energy: -225.542 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: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2895.578329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.578329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.578329 (E_RNA) where: Base-Base interactions energy: -2032.538 where: short stacking energy: -864.207 Base-Backbone interact. energy: -0.616 local terms energy: -862.424044 where: bonds (distance) C4'-P energy: -160.462 bonds (distance) P-C4' energy: -165.844 flat angles C4'-P-C4' energy: -176.593 flat angles P-C4'-P energy: -119.932 tors. eta vs tors. theta energy: -239.594 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: 9 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2741.004550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.004550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.004550 (E_RNA) where: Base-Base interactions energy: -1929.659 where: short stacking energy: -790.212 Base-Backbone interact. energy: 4.213 local terms energy: -815.558738 where: bonds (distance) C4'-P energy: -161.085 bonds (distance) P-C4' energy: -160.932 flat angles C4'-P-C4' energy: -169.914 flat angles P-C4'-P energy: -115.829 tors. eta vs tors. theta energy: -207.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2644.373329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.373329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.373329 (E_RNA) where: Base-Base interactions energy: -1877.002 where: short stacking energy: -766.501 Base-Backbone interact. energy: -3.519 local terms energy: -763.851798 where: bonds (distance) C4'-P energy: -144.433 bonds (distance) P-C4' energy: -137.537 flat angles C4'-P-C4' energy: -161.369 flat angles P-C4'-P energy: -111.915 tors. eta vs tors. theta energy: -208.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2479.925975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.925975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.925975 (E_RNA) where: Base-Base interactions energy: -1744.354 where: short stacking energy: -726.479 Base-Backbone interact. energy: -1.418 local terms energy: -734.154615 where: bonds (distance) C4'-P energy: -143.217 bonds (distance) P-C4' energy: -139.841 flat angles C4'-P-C4' energy: -168.363 flat angles P-C4'-P energy: -92.104 tors. eta vs tors. theta energy: -190.629 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: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2323.525880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.525880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.525880 (E_RNA) where: Base-Base interactions energy: -1615.631 where: short stacking energy: -662.636 Base-Backbone interact. energy: -4.074 local terms energy: -703.820821 where: bonds (distance) C4'-P energy: -123.931 bonds (distance) P-C4' energy: -127.937 flat angles C4'-P-C4' energy: -147.519 flat angles P-C4'-P energy: -126.283 tors. eta vs tors. theta energy: -178.151 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: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2048.186477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.186477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.186477 (E_RNA) where: Base-Base interactions energy: -1365.599 where: short stacking energy: -618.132 Base-Backbone interact. energy: -3.938 local terms energy: -678.648826 where: bonds (distance) C4'-P energy: -135.446 bonds (distance) P-C4' energy: -134.583 flat angles C4'-P-C4' energy: -164.225 flat angles P-C4'-P energy: -91.502 tors. eta vs tors. theta energy: -152.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1823.335252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.335252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.335252 (E_RNA) where: Base-Base interactions energy: -1223.921 where: short stacking energy: -559.668 Base-Backbone interact. energy: -3.017 local terms energy: -596.397319 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -137.521 flat angles C4'-P-C4' energy: -131.773 flat angles P-C4'-P energy: -83.524 tors. eta vs tors. theta energy: -133.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1703.400670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.400670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.400670 (E_RNA) where: Base-Base interactions energy: -1174.950 where: short stacking energy: -527.756 Base-Backbone interact. energy: 1.564 local terms energy: -530.015152 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -116.478 flat angles C4'-P-C4' energy: -121.894 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: -118.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1142.854235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.854235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.854235 (E_RNA) where: Base-Base interactions energy: -684.890 where: short stacking energy: -312.644 Base-Backbone interact. energy: 10.517 local terms energy: -468.480710 where: bonds (distance) C4'-P energy: -124.114 bonds (distance) P-C4' energy: -147.103 flat angles C4'-P-C4' energy: -107.505 flat angles P-C4'-P energy: -69.048 tors. eta vs tors. theta energy: -20.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2950.049556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.049556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.049556 (E_RNA) where: Base-Base interactions energy: -2076.776 where: short stacking energy: -882.931 Base-Backbone interact. energy: -1.659 local terms energy: -871.614356 where: bonds (distance) C4'-P energy: -151.421 bonds (distance) P-C4' energy: -173.154 flat angles C4'-P-C4' energy: -190.265 flat angles P-C4'-P energy: -129.535 tors. eta vs tors. theta energy: -227.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2870.398540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.398540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.398540 (E_RNA) where: Base-Base interactions energy: -2050.787 where: short stacking energy: -862.766 Base-Backbone interact. energy: -2.191 local terms energy: -817.420467 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -136.574 flat angles C4'-P-C4' energy: -175.284 flat angles P-C4'-P energy: -123.431 tors. eta vs tors. theta energy: -236.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2710.222040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.222040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.222040 (E_RNA) where: Base-Base interactions energy: -1911.207 where: short stacking energy: -802.708 Base-Backbone interact. energy: -4.272 local terms energy: -794.743429 where: bonds (distance) C4'-P energy: -133.127 bonds (distance) P-C4' energy: -157.981 flat angles C4'-P-C4' energy: -162.074 flat angles P-C4'-P energy: -121.987 tors. eta vs tors. theta energy: -219.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2717.328593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.328593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.328593 (E_RNA) where: Base-Base interactions energy: -1926.902 where: short stacking energy: -796.260 Base-Backbone interact. energy: -0.826 local terms energy: -789.601170 where: bonds (distance) C4'-P energy: -138.012 bonds (distance) P-C4' energy: -161.323 flat angles C4'-P-C4' energy: -168.695 flat angles P-C4'-P energy: -112.678 tors. eta vs tors. theta energy: -208.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2425.701510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.701510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.701510 (E_RNA) where: Base-Base interactions energy: -1723.265 where: short stacking energy: -710.478 Base-Backbone interact. energy: -4.803 local terms energy: -697.632905 where: bonds (distance) C4'-P energy: -137.124 bonds (distance) P-C4' energy: -132.675 flat angles C4'-P-C4' energy: -163.652 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -170.368 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: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2228.294248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.294248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.294248 (E_RNA) where: Base-Base interactions energy: -1537.493 where: short stacking energy: -655.262 Base-Backbone interact. energy: 5.925 local terms energy: -696.725520 where: bonds (distance) C4'-P energy: -126.744 bonds (distance) P-C4' energy: -137.870 flat angles C4'-P-C4' energy: -148.863 flat angles P-C4'-P energy: -111.326 tors. eta vs tors. theta energy: -171.922 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: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2062.311045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.311045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.311045 (E_RNA) where: Base-Base interactions energy: -1405.903 where: short stacking energy: -621.054 Base-Backbone interact. energy: -1.314 local terms energy: -655.093989 where: bonds (distance) C4'-P energy: -125.772 bonds (distance) P-C4' energy: -123.743 flat angles C4'-P-C4' energy: -155.040 flat angles P-C4'-P energy: -90.213 tors. eta vs tors. theta energy: -160.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1888.706384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.706384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.706384 (E_RNA) where: Base-Base interactions energy: -1304.648 where: short stacking energy: -578.455 Base-Backbone interact. energy: 4.978 local terms energy: -589.036662 where: bonds (distance) C4'-P energy: -128.214 bonds (distance) P-C4' energy: -135.804 flat angles C4'-P-C4' energy: -132.466 flat angles P-C4'-P energy: -62.143 tors. eta vs tors. theta energy: -130.410 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: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1654.863906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.863906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.863906 (E_RNA) where: Base-Base interactions energy: -1099.375 where: short stacking energy: -483.924 Base-Backbone interact. energy: -0.261 local terms energy: -555.228466 where: bonds (distance) C4'-P energy: -118.681 bonds (distance) P-C4' energy: -127.667 flat angles C4'-P-C4' energy: -126.906 flat angles P-C4'-P energy: -81.465 tors. eta vs tors. theta energy: -100.509 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: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1174.925491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.925491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.925491 (E_RNA) where: Base-Base interactions energy: -701.945 where: short stacking energy: -350.772 Base-Backbone interact. energy: 1.368 local terms energy: -474.348811 where: bonds (distance) C4'-P energy: -110.557 bonds (distance) P-C4' energy: -119.819 flat angles C4'-P-C4' energy: -140.052 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -30.474 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: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2948.110724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.110724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.110724 (E_RNA) where: Base-Base interactions energy: -2104.999 where: short stacking energy: -869.094 Base-Backbone interact. energy: -4.309 local terms energy: -838.802194 where: bonds (distance) C4'-P energy: -153.638 bonds (distance) P-C4' energy: -154.249 flat angles C4'-P-C4' energy: -181.729 flat angles P-C4'-P energy: -118.421 tors. eta vs tors. theta energy: -230.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2829.116083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.116083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.116083 (E_RNA) where: Base-Base interactions energy: -2028.850 where: short stacking energy: -838.226 Base-Backbone interact. energy: -2.893 local terms energy: -797.372711 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -154.730 flat angles C4'-P-C4' energy: -170.587 flat angles P-C4'-P energy: -107.624 tors. eta vs tors. theta energy: -213.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2760.264998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.264998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.264998 (E_RNA) where: Base-Base interactions energy: -1922.047 where: short stacking energy: -821.048 Base-Backbone interact. energy: -7.784 local terms energy: -830.434050 where: bonds (distance) C4'-P energy: -162.613 bonds (distance) P-C4' energy: -167.088 flat angles C4'-P-C4' energy: -176.520 flat angles P-C4'-P energy: -114.015 tors. eta vs tors. theta energy: -210.199 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: 4 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2631.957789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.957789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.957789 (E_RNA) where: Base-Base interactions energy: -1853.996 where: short stacking energy: -756.933 Base-Backbone interact. energy: -1.775 local terms energy: -776.186877 where: bonds (distance) C4'-P energy: -159.317 bonds (distance) P-C4' energy: -151.133 flat angles C4'-P-C4' energy: -157.402 flat angles P-C4'-P energy: -100.122 tors. eta vs tors. theta energy: -208.212 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2466.129020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.129020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.129020 (E_RNA) where: Base-Base interactions energy: -1713.130 where: short stacking energy: -697.226 Base-Backbone interact. energy: 1.948 local terms energy: -754.947309 where: bonds (distance) C4'-P energy: -151.794 bonds (distance) P-C4' energy: -160.919 flat angles C4'-P-C4' energy: -166.300 flat angles P-C4'-P energy: -109.912 tors. eta vs tors. theta energy: -166.023 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: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2282.192933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.192933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.192933 (E_RNA) where: Base-Base interactions energy: -1584.967 where: short stacking energy: -712.753 Base-Backbone interact. energy: -0.744 local terms energy: -696.482415 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -145.865 flat angles C4'-P-C4' energy: -158.565 flat angles P-C4'-P energy: -101.816 tors. eta vs tors. theta energy: -173.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2090.385820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.385820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.385820 (E_RNA) where: Base-Base interactions energy: -1454.401 where: short stacking energy: -611.529 Base-Backbone interact. energy: 1.504 local terms energy: -637.489207 where: bonds (distance) C4'-P energy: -108.557 bonds (distance) P-C4' energy: -127.811 flat angles C4'-P-C4' energy: -144.041 flat angles P-C4'-P energy: -109.228 tors. eta vs tors. theta energy: -147.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1943.278090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.278090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.278090 (E_RNA) where: Base-Base interactions energy: -1323.343 where: short stacking energy: -580.220 Base-Backbone interact. energy: 0.039 local terms energy: -619.973519 where: bonds (distance) C4'-P energy: -135.437 bonds (distance) P-C4' energy: -115.682 flat angles C4'-P-C4' energy: -135.812 flat angles P-C4'-P energy: -108.240 tors. eta vs tors. theta energy: -124.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1610.238059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.238059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.238059 (E_RNA) where: Base-Base interactions energy: -1072.348 where: short stacking energy: -485.371 Base-Backbone interact. energy: 5.490 local terms energy: -543.380311 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -144.856 flat angles C4'-P-C4' energy: -141.036 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -84.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1131.982187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.982187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.982187 (E_RNA) where: Base-Base interactions energy: -635.900 where: short stacking energy: -325.153 Base-Backbone interact. energy: 0.471 local terms energy: -496.553118 where: bonds (distance) C4'-P energy: -118.418 bonds (distance) P-C4' energy: -125.378 flat angles C4'-P-C4' energy: -120.610 flat angles P-C4'-P energy: -87.635 tors. eta vs tors. theta energy: -44.511 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: 1, replica: 2 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2975.358280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.358280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.358280 (E_RNA) where: Base-Base interactions energy: -2105.093 where: short stacking energy: -849.326 Base-Backbone interact. energy: -5.966 local terms energy: -864.299616 where: bonds (distance) C4'-P energy: -168.609 bonds (distance) P-C4' energy: -163.590 flat angles C4'-P-C4' energy: -185.427 flat angles P-C4'-P energy: -125.646 tors. eta vs tors. theta energy: -221.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2816.518294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.518294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.518294 (E_RNA) where: Base-Base interactions energy: -1983.125 where: short stacking energy: -852.715 Base-Backbone interact. energy: -3.743 local terms energy: -829.650816 where: bonds (distance) C4'-P energy: -153.036 bonds (distance) P-C4' energy: -163.089 flat angles C4'-P-C4' energy: -175.591 flat angles P-C4'-P energy: -111.663 tors. eta vs tors. theta energy: -226.273 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: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2731.615137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.615137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.615137 (E_RNA) where: Base-Base interactions energy: -1937.859 where: short stacking energy: -818.627 Base-Backbone interact. energy: -4.939 local terms energy: -788.817141 where: bonds (distance) C4'-P energy: -148.816 bonds (distance) P-C4' energy: -142.480 flat angles C4'-P-C4' energy: -170.615 flat angles P-C4'-P energy: -105.423 tors. eta vs tors. theta energy: -221.484 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: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2628.656018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.656018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.656018 (E_RNA) where: Base-Base interactions energy: -1852.812 where: short stacking energy: -778.621 Base-Backbone interact. energy: -3.881 local terms energy: -771.962770 where: bonds (distance) C4'-P energy: -158.993 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -154.932 flat angles P-C4'-P energy: -109.597 tors. eta vs tors. theta energy: -207.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2449.638097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.638097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.638097 (E_RNA) where: Base-Base interactions energy: -1726.418 where: short stacking energy: -718.935 Base-Backbone interact. energy: -3.606 local terms energy: -719.613559 where: bonds (distance) C4'-P energy: -143.317 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -173.888 flat angles P-C4'-P energy: -94.230 tors. eta vs tors. theta energy: -173.967 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: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2334.455678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.455678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.455678 (E_RNA) where: Base-Base interactions energy: -1643.361 where: short stacking energy: -714.449 Base-Backbone interact. energy: -5.192 local terms energy: -685.903091 where: bonds (distance) C4'-P energy: -116.686 bonds (distance) P-C4' energy: -144.024 flat angles C4'-P-C4' energy: -163.340 flat angles P-C4'-P energy: -81.407 tors. eta vs tors. theta energy: -180.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2192.796725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.796725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.796725 (E_RNA) where: Base-Base interactions energy: -1530.472 where: short stacking energy: -635.283 Base-Backbone interact. energy: 0.059 local terms energy: -662.383631 where: bonds (distance) C4'-P energy: -135.215 bonds (distance) P-C4' energy: -137.310 flat angles C4'-P-C4' energy: -145.802 flat angles P-C4'-P energy: -78.223 tors. eta vs tors. theta energy: -165.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1850.949635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.949635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.949635 (E_RNA) where: Base-Base interactions energy: -1280.182 where: short stacking energy: -555.969 Base-Backbone interact. energy: -0.134 local terms energy: -570.633651 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -129.484 flat angles C4'-P-C4' energy: -120.725 flat angles P-C4'-P energy: -84.527 tors. eta vs tors. theta energy: -121.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1769.195493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.195493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.195493 (E_RNA) where: Base-Base interactions energy: -1176.968 where: short stacking energy: -519.144 Base-Backbone interact. energy: 4.202 local terms energy: -596.429513 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -138.048 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -101.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1112.057381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.057381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.057381 (E_RNA) where: Base-Base interactions energy: -625.731 where: short stacking energy: -328.112 Base-Backbone interact. energy: 2.309 local terms energy: -488.636163 where: bonds (distance) C4'-P energy: -131.821 bonds (distance) P-C4' energy: -128.766 flat angles C4'-P-C4' energy: -132.036 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -18.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2943.156138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.156138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.156138 (E_RNA) where: Base-Base interactions energy: -2088.246 where: short stacking energy: -849.802 Base-Backbone interact. energy: -5.621 local terms energy: -849.288529 where: bonds (distance) C4'-P energy: -160.559 bonds (distance) P-C4' energy: -166.071 flat angles C4'-P-C4' energy: -176.980 flat angles P-C4'-P energy: -122.484 tors. eta vs tors. theta energy: -223.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2831.249375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.249375 (E_RNA) where: Base-Base interactions energy: -1978.153 where: short stacking energy: -854.462 Base-Backbone interact. energy: -3.203 local terms energy: -849.894134 where: bonds (distance) C4'-P energy: -159.369 bonds (distance) P-C4' energy: -164.150 flat angles C4'-P-C4' energy: -181.289 flat angles P-C4'-P energy: -117.316 tors. eta vs tors. theta energy: -227.771 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: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2737.837382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.837382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.837382 (E_RNA) where: Base-Base interactions energy: -1951.276 where: short stacking energy: -809.442 Base-Backbone interact. energy: -6.825 local terms energy: -779.736695 where: bonds (distance) C4'-P energy: -138.860 bonds (distance) P-C4' energy: -150.654 flat angles C4'-P-C4' energy: -162.088 flat angles P-C4'-P energy: -102.064 tors. eta vs tors. theta energy: -226.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2658.948243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.948243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.948243 (E_RNA) where: Base-Base interactions energy: -1867.875 where: short stacking energy: -784.728 Base-Backbone interact. energy: -5.932 local terms energy: -785.140807 where: bonds (distance) C4'-P energy: -153.843 bonds (distance) P-C4' energy: -146.764 flat angles C4'-P-C4' energy: -167.513 flat angles P-C4'-P energy: -107.261 tors. eta vs tors. theta energy: -209.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2424.969922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.969922 (E_RNA) where: Base-Base interactions energy: -1715.101 where: short stacking energy: -713.543 Base-Backbone interact. energy: -1.768 local terms energy: -708.101737 where: bonds (distance) C4'-P energy: -141.277 bonds (distance) P-C4' energy: -141.188 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -92.132 tors. eta vs tors. theta energy: -167.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2495.331006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.331006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.331006 (E_RNA) where: Base-Base interactions energy: -1755.391 where: short stacking energy: -747.665 Base-Backbone interact. energy: -0.677 local terms energy: -739.263184 where: bonds (distance) C4'-P energy: -118.575 bonds (distance) P-C4' energy: -147.719 flat angles C4'-P-C4' energy: -163.933 flat angles P-C4'-P energy: -105.572 tors. eta vs tors. theta energy: -203.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2210.145754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.145754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.145754 (E_RNA) where: Base-Base interactions energy: -1508.889 where: short stacking energy: -642.223 Base-Backbone interact. energy: 5.496 local terms energy: -706.752518 where: bonds (distance) C4'-P energy: -126.471 bonds (distance) P-C4' energy: -148.691 flat angles C4'-P-C4' energy: -169.899 flat angles P-C4'-P energy: -98.964 tors. eta vs tors. theta energy: -162.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1766.015896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.015896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.015896 (E_RNA) where: Base-Base interactions energy: -1195.844 where: short stacking energy: -551.469 Base-Backbone interact. energy: -2.990 local terms energy: -567.181574 where: bonds (distance) C4'-P energy: -125.798 bonds (distance) P-C4' energy: -117.337 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -78.790 tors. eta vs tors. theta energy: -109.253 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: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1764.115467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.115467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.115467 (E_RNA) where: Base-Base interactions energy: -1209.961 where: short stacking energy: -579.609 Base-Backbone interact. energy: -1.766 local terms energy: -552.388677 where: bonds (distance) C4'-P energy: -111.970 bonds (distance) P-C4' energy: -115.077 flat angles C4'-P-C4' energy: -148.148 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -112.116 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: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1198.350665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.350665 (E_RNA) where: Base-Base interactions energy: -755.071 where: short stacking energy: -383.463 Base-Backbone interact. energy: 5.691 local terms energy: -448.971205 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -131.097 flat angles C4'-P-C4' energy: -96.354 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -58.682 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: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2940.586939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.586939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.586939 (E_RNA) where: Base-Base interactions energy: -2089.671 where: short stacking energy: -862.694 Base-Backbone interact. energy: 0.986 local terms energy: -851.901700 where: bonds (distance) C4'-P energy: -167.432 bonds (distance) P-C4' energy: -165.142 flat angles C4'-P-C4' energy: -186.368 flat angles P-C4'-P energy: -107.570 tors. eta vs tors. theta energy: -225.390 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2853.237470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.237470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.237470 (E_RNA) where: Base-Base interactions energy: -1996.683 where: short stacking energy: -863.507 Base-Backbone interact. energy: 4.335 local terms energy: -860.889232 where: bonds (distance) C4'-P energy: -163.110 bonds (distance) P-C4' energy: -167.090 flat angles C4'-P-C4' energy: -176.828 flat angles P-C4'-P energy: -118.274 tors. eta vs tors. theta energy: -235.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2794.158936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.158936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.158936 (E_RNA) where: Base-Base interactions energy: -1995.751 where: short stacking energy: -817.565 Base-Backbone interact. energy: 1.051 local terms energy: -799.459324 where: bonds (distance) C4'-P energy: -168.325 bonds (distance) P-C4' energy: -142.645 flat angles C4'-P-C4' energy: -161.374 flat angles P-C4'-P energy: -121.629 tors. eta vs tors. theta energy: -205.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2626.459772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.459772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.459772 (E_RNA) where: Base-Base interactions energy: -1865.753 where: short stacking energy: -778.234 Base-Backbone interact. energy: -3.250 local terms energy: -757.457280 where: bonds (distance) C4'-P energy: -132.717 bonds (distance) P-C4' energy: -142.469 flat angles C4'-P-C4' energy: -169.639 flat angles P-C4'-P energy: -107.166 tors. eta vs tors. theta energy: -205.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2478.706206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.706206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.706206 (E_RNA) where: Base-Base interactions energy: -1733.332 where: short stacking energy: -724.960 Base-Backbone interact. energy: 1.044 local terms energy: -746.418491 where: bonds (distance) C4'-P energy: -142.446 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -172.823 flat angles P-C4'-P energy: -108.242 tors. eta vs tors. theta energy: -181.228 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: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2365.224358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.224358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.224358 (E_RNA) where: Base-Base interactions energy: -1669.240 where: short stacking energy: -696.239 Base-Backbone interact. energy: 2.681 local terms energy: -698.665050 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -151.761 flat angles C4'-P-C4' energy: -157.343 flat angles P-C4'-P energy: -76.001 tors. eta vs tors. theta energy: -181.297 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: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2194.176928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.176928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.176928 (E_RNA) where: Base-Base interactions energy: -1505.969 where: short stacking energy: -646.486 Base-Backbone interact. energy: -3.512 local terms energy: -684.695257 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -129.660 flat angles C4'-P-C4' energy: -160.021 flat angles P-C4'-P energy: -112.571 tors. eta vs tors. theta energy: -165.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1755.951963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.951963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.951963 (E_RNA) where: Base-Base interactions energy: -1164.524 where: short stacking energy: -520.950 Base-Backbone interact. energy: 2.411 local terms energy: -593.838816 where: bonds (distance) C4'-P energy: -126.096 bonds (distance) P-C4' energy: -139.850 flat angles C4'-P-C4' energy: -138.888 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -104.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1814.535595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.535595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.535595 (E_RNA) where: Base-Base interactions energy: -1282.751 where: short stacking energy: -526.157 Base-Backbone interact. energy: -5.175 local terms energy: -526.609387 where: bonds (distance) C4'-P energy: -121.133 bonds (distance) P-C4' energy: -94.260 flat angles C4'-P-C4' energy: -132.439 flat angles P-C4'-P energy: -81.464 tors. eta vs tors. theta energy: -97.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1188.449099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.449099 (E_RNA) where: Base-Base interactions energy: -714.341 where: short stacking energy: -349.894 Base-Backbone interact. energy: -4.763 local terms energy: -469.344273 where: bonds (distance) C4'-P energy: -119.580 bonds (distance) P-C4' energy: -126.605 flat angles C4'-P-C4' energy: -121.725 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -37.695 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: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2948.957697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.957697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.957697 (E_RNA) where: Base-Base interactions energy: -2106.519 where: short stacking energy: -857.669 Base-Backbone interact. energy: 3.251 local terms energy: -845.689638 where: bonds (distance) C4'-P energy: -167.097 bonds (distance) P-C4' energy: -168.104 flat angles C4'-P-C4' energy: -172.332 flat angles P-C4'-P energy: -123.406 tors. eta vs tors. theta energy: -214.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2835.764287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.764287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.764287 (E_RNA) where: Base-Base interactions energy: -2019.291 where: short stacking energy: -863.117 Base-Backbone interact. energy: -3.443 local terms energy: -813.029852 where: bonds (distance) C4'-P energy: -155.639 bonds (distance) P-C4' energy: -151.953 flat angles C4'-P-C4' energy: -163.756 flat angles P-C4'-P energy: -113.045 tors. eta vs tors. theta energy: -228.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2827.113091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.113091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.113091 (E_RNA) where: Base-Base interactions energy: -1996.593 where: short stacking energy: -861.505 Base-Backbone interact. energy: -4.522 local terms energy: -825.997428 where: bonds (distance) C4'-P energy: -142.252 bonds (distance) P-C4' energy: -150.528 flat angles C4'-P-C4' energy: -187.248 flat angles P-C4'-P energy: -114.135 tors. eta vs tors. theta energy: -231.834 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2645.817990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.817990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.817990 (E_RNA) where: Base-Base interactions energy: -1855.160 where: short stacking energy: -780.939 Base-Backbone interact. energy: -0.616 local terms energy: -790.041557 where: bonds (distance) C4'-P energy: -146.748 bonds (distance) P-C4' energy: -147.971 flat angles C4'-P-C4' energy: -160.324 flat angles P-C4'-P energy: -113.331 tors. eta vs tors. theta energy: -221.667 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: 141 Temperature: 1.100000 Total energy: -2449.393690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.393690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.393690 (E_RNA) where: Base-Base interactions energy: -1729.263 where: short stacking energy: -686.310 Base-Backbone interact. energy: -4.799 local terms energy: -715.331420 where: bonds (distance) C4'-P energy: -145.273 bonds (distance) P-C4' energy: -146.239 flat angles C4'-P-C4' energy: -155.714 flat angles P-C4'-P energy: -100.081 tors. eta vs tors. theta energy: -168.024 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: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2322.738284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.738284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.738284 (E_RNA) where: Base-Base interactions energy: -1624.443 where: short stacking energy: -714.310 Base-Backbone interact. energy: -2.578 local terms energy: -695.717788 where: bonds (distance) C4'-P energy: -140.444 bonds (distance) P-C4' energy: -136.272 flat angles C4'-P-C4' energy: -149.611 flat angles P-C4'-P energy: -97.839 tors. eta vs tors. theta energy: -171.552 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: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2219.433144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.433144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.433144 (E_RNA) where: Base-Base interactions energy: -1595.349 where: short stacking energy: -641.268 Base-Backbone interact. energy: -3.131 local terms energy: -620.952765 where: bonds (distance) C4'-P energy: -136.505 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -132.884 flat angles P-C4'-P energy: -70.538 tors. eta vs tors. theta energy: -160.648 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: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1883.596465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.596465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.596465 (E_RNA) where: Base-Base interactions energy: -1310.741 where: short stacking energy: -550.992 Base-Backbone interact. energy: 1.452 local terms energy: -574.307359 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -111.445 flat angles C4'-P-C4' energy: -146.239 flat angles P-C4'-P energy: -85.727 tors. eta vs tors. theta energy: -103.380 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: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1694.434021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.434021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.434021 (E_RNA) where: Base-Base interactions energy: -1128.541 where: short stacking energy: -470.050 Base-Backbone interact. energy: 5.637 local terms energy: -571.530786 where: bonds (distance) C4'-P energy: -106.343 bonds (distance) P-C4' energy: -160.965 flat angles C4'-P-C4' energy: -141.308 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -81.457 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: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1114.534440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.534440 (E_RNA) where: Base-Base interactions energy: -651.672 where: short stacking energy: -328.683 Base-Backbone interact. energy: -0.771 local terms energy: -462.091383 where: bonds (distance) C4'-P energy: -126.156 bonds (distance) P-C4' energy: -120.986 flat angles C4'-P-C4' energy: -112.863 flat angles P-C4'-P energy: -72.550 tors. eta vs tors. theta energy: -29.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2927.505001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.505001 (E_RNA) where: Base-Base interactions energy: -2094.777 where: short stacking energy: -853.756 Base-Backbone interact. energy: -2.771 local terms energy: -829.956261 where: bonds (distance) C4'-P energy: -147.988 bonds (distance) P-C4' energy: -168.890 flat angles C4'-P-C4' energy: -174.006 flat angles P-C4'-P energy: -110.259 tors. eta vs tors. theta energy: -228.812 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: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2813.520081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.520081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.520081 (E_RNA) where: Base-Base interactions energy: -1982.340 where: short stacking energy: -821.048 Base-Backbone interact. energy: -0.476 local terms energy: -830.704375 where: bonds (distance) C4'-P energy: -147.143 bonds (distance) P-C4' energy: -160.238 flat angles C4'-P-C4' energy: -179.653 flat angles P-C4'-P energy: -120.170 tors. eta vs tors. theta energy: -223.500 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: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2764.115492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.115492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.115492 (E_RNA) where: Base-Base interactions energy: -1930.411 where: short stacking energy: -806.504 Base-Backbone interact. energy: -4.571 local terms energy: -829.133408 where: bonds (distance) C4'-P energy: -155.127 bonds (distance) P-C4' energy: -151.812 flat angles C4'-P-C4' energy: -175.987 flat angles P-C4'-P energy: -121.236 tors. eta vs tors. theta energy: -224.971 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: 142 Temperature: 1.050000 Total energy: -2630.662273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.662273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.662273 (E_RNA) where: Base-Base interactions energy: -1866.596 where: short stacking energy: -796.127 Base-Backbone interact. energy: -3.196 local terms energy: -760.869967 where: bonds (distance) C4'-P energy: -135.799 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -173.378 flat angles P-C4'-P energy: -102.843 tors. eta vs tors. theta energy: -203.463 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: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2434.939753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.939753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.939753 (E_RNA) where: Base-Base interactions energy: -1704.567 where: short stacking energy: -719.421 Base-Backbone interact. energy: -6.589 local terms energy: -723.783564 where: bonds (distance) C4'-P energy: -135.021 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -166.505 flat angles P-C4'-P energy: -103.636 tors. eta vs tors. theta energy: -175.072 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: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2369.191142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.191142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.191142 (E_RNA) where: Base-Base interactions energy: -1743.357 where: short stacking energy: -695.129 Base-Backbone interact. energy: -2.646 local terms energy: -623.187540 where: bonds (distance) C4'-P energy: -101.862 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -148.229 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -162.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2147.324333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.324333 (E_RNA) where: Base-Base interactions energy: -1494.082 where: short stacking energy: -636.665 Base-Backbone interact. energy: 2.300 local terms energy: -655.542152 where: bonds (distance) C4'-P energy: -123.177 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -95.671 tors. eta vs tors. theta energy: -171.815 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: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1923.492707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.492707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.492707 (E_RNA) where: Base-Base interactions energy: -1341.008 where: short stacking energy: -562.810 Base-Backbone interact. energy: -3.003 local terms energy: -579.481745 where: bonds (distance) C4'-P energy: -135.872 bonds (distance) P-C4' energy: -134.038 flat angles C4'-P-C4' energy: -117.850 flat angles P-C4'-P energy: -82.559 tors. eta vs tors. theta energy: -109.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1756.527244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.527244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.527244 (E_RNA) where: Base-Base interactions energy: -1200.516 where: short stacking energy: -520.491 Base-Backbone interact. energy: 7.295 local terms energy: -563.306151 where: bonds (distance) C4'-P energy: -120.978 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -134.486 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -112.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1098.635325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.635325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.635325 (E_RNA) where: Base-Base interactions energy: -645.972 where: short stacking energy: -310.641 Base-Backbone interact. energy: -4.415 local terms energy: -448.247950 where: bonds (distance) C4'-P energy: -130.351 bonds (distance) P-C4' energy: -135.861 flat angles C4'-P-C4' energy: -112.100 flat angles P-C4'-P energy: -52.322 tors. eta vs tors. theta energy: -17.615 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: 2 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2931.194513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.194513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.194513 (E_RNA) where: Base-Base interactions energy: -2051.863 where: short stacking energy: -870.471 Base-Backbone interact. energy: -6.160 local terms energy: -873.172187 where: bonds (distance) C4'-P energy: -153.139 bonds (distance) P-C4' energy: -162.415 flat angles C4'-P-C4' energy: -184.759 flat angles P-C4'-P energy: -141.755 tors. eta vs tors. theta energy: -231.104 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: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2827.799687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.799687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.799687 (E_RNA) where: Base-Base interactions energy: -1993.688 where: short stacking energy: -855.406 Base-Backbone interact. energy: 0.169 local terms energy: -834.280689 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -167.756 flat angles C4'-P-C4' energy: -182.676 flat angles P-C4'-P energy: -113.596 tors. eta vs tors. theta energy: -228.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2756.497808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.497808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.497808 (E_RNA) where: Base-Base interactions energy: -1950.601 where: short stacking energy: -815.886 Base-Backbone interact. energy: -2.870 local terms energy: -803.026458 where: bonds (distance) C4'-P energy: -145.754 bonds (distance) P-C4' energy: -145.806 flat angles C4'-P-C4' energy: -172.354 flat angles P-C4'-P energy: -126.220 tors. eta vs tors. theta energy: -212.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2669.308376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.308376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.308376 (E_RNA) where: Base-Base interactions energy: -1874.735 where: short stacking energy: -804.190 Base-Backbone interact. energy: -3.290 local terms energy: -791.283486 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -155.392 flat angles C4'-P-C4' energy: -188.587 flat angles P-C4'-P energy: -96.221 tors. eta vs tors. theta energy: -212.857 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2428.109981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.109981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.109981 (E_RNA) where: Base-Base interactions energy: -1689.997 where: short stacking energy: -715.528 Base-Backbone interact. energy: -1.651 local terms energy: -736.462520 where: bonds (distance) C4'-P energy: -137.093 bonds (distance) P-C4' energy: -147.916 flat angles C4'-P-C4' energy: -169.879 flat angles P-C4'-P energy: -101.226 tors. eta vs tors. theta energy: -180.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2413.384667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.384667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.384667 (E_RNA) where: Base-Base interactions energy: -1684.010 where: short stacking energy: -692.614 Base-Backbone interact. energy: -0.398 local terms energy: -728.976171 where: bonds (distance) C4'-P energy: -138.678 bonds (distance) P-C4' energy: -139.417 flat angles C4'-P-C4' energy: -164.159 flat angles P-C4'-P energy: -103.266 tors. eta vs tors. theta energy: -183.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2218.018529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.018529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.018529 (E_RNA) where: Base-Base interactions energy: -1560.139 where: short stacking energy: -643.936 Base-Backbone interact. energy: 0.434 local terms energy: -658.313763 where: bonds (distance) C4'-P energy: -128.641 bonds (distance) P-C4' energy: -132.880 flat angles C4'-P-C4' energy: -149.666 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -162.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1916.631152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.631152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.631152 (E_RNA) where: Base-Base interactions energy: -1301.268 where: short stacking energy: -597.856 Base-Backbone interact. energy: 0.772 local terms energy: -616.134781 where: bonds (distance) C4'-P energy: -110.697 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -143.780 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -138.655 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: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1793.903986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.903986 (E_RNA) where: Base-Base interactions energy: -1213.366 where: short stacking energy: -499.011 Base-Backbone interact. energy: -1.569 local terms energy: -578.969368 where: bonds (distance) C4'-P energy: -125.059 bonds (distance) P-C4' energy: -139.375 flat angles C4'-P-C4' energy: -125.584 flat angles P-C4'-P energy: -85.632 tors. eta vs tors. theta energy: -103.320 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: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1104.731029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.731029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.731029 (E_RNA) where: Base-Base interactions energy: -656.573 where: short stacking energy: -335.913 Base-Backbone interact. energy: 0.388 local terms energy: -448.545558 where: bonds (distance) C4'-P energy: -105.807 bonds (distance) P-C4' energy: -129.750 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: -22.972 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: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2934.389226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.389226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.389226 (E_RNA) where: Base-Base interactions energy: -2076.680 where: short stacking energy: -864.824 Base-Backbone interact. energy: -0.676 local terms energy: -857.033247 where: bonds (distance) C4'-P energy: -157.599 bonds (distance) P-C4' energy: -162.811 flat angles C4'-P-C4' energy: -175.197 flat angles P-C4'-P energy: -136.102 tors. eta vs tors. theta energy: -225.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2848.757476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.757476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.757476 (E_RNA) where: Base-Base interactions energy: -1978.879 where: short stacking energy: -840.251 Base-Backbone interact. energy: -0.831 local terms energy: -869.047389 where: bonds (distance) C4'-P energy: -166.316 bonds (distance) P-C4' energy: -169.968 flat angles C4'-P-C4' energy: -182.676 flat angles P-C4'-P energy: -116.508 tors. eta vs tors. theta energy: -233.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2772.614436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.614436 (E_RNA) where: Base-Base interactions energy: -1969.088 where: short stacking energy: -818.568 Base-Backbone interact. energy: -5.387 local terms energy: -798.139272 where: bonds (distance) C4'-P energy: -150.076 bonds (distance) P-C4' energy: -150.559 flat angles C4'-P-C4' energy: -170.921 flat angles P-C4'-P energy: -113.174 tors. eta vs tors. theta energy: -213.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2666.666380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.666380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.666380 (E_RNA) where: Base-Base interactions energy: -1873.414 where: short stacking energy: -792.499 Base-Backbone interact. energy: -0.729 local terms energy: -792.522995 where: bonds (distance) C4'-P energy: -143.585 bonds (distance) P-C4' energy: -149.983 flat angles C4'-P-C4' energy: -177.254 flat angles P-C4'-P energy: -107.605 tors. eta vs tors. theta energy: -214.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2439.111496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.111496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.111496 (E_RNA) where: Base-Base interactions energy: -1698.139 where: short stacking energy: -735.065 Base-Backbone interact. energy: -2.638 local terms energy: -738.335167 where: bonds (distance) C4'-P energy: -138.590 bonds (distance) P-C4' energy: -142.872 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -108.052 tors. eta vs tors. theta energy: -188.989 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: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2404.507065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.507065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.507065 (E_RNA) where: Base-Base interactions energy: -1703.648 where: short stacking energy: -715.004 Base-Backbone interact. energy: -1.653 local terms energy: -699.206312 where: bonds (distance) C4'-P energy: -130.732 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -83.056 tors. eta vs tors. theta energy: -186.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2225.953024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.953024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.953024 (E_RNA) where: Base-Base interactions energy: -1562.579 where: short stacking energy: -672.368 Base-Backbone interact. energy: -2.427 local terms energy: -660.947491 where: bonds (distance) C4'-P energy: -130.659 bonds (distance) P-C4' energy: -123.121 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -87.768 tors. eta vs tors. theta energy: -168.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1956.060234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.060234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.060234 (E_RNA) where: Base-Base interactions energy: -1355.326 where: short stacking energy: -594.639 Base-Backbone interact. energy: 1.781 local terms energy: -602.515427 where: bonds (distance) C4'-P energy: -125.300 bonds (distance) P-C4' energy: -136.416 flat angles C4'-P-C4' energy: -105.920 flat angles P-C4'-P energy: -99.619 tors. eta vs tors. theta energy: -135.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1855.890944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.890944 (E_RNA) where: Base-Base interactions energy: -1248.944 where: short stacking energy: -564.111 Base-Backbone interact. energy: -4.075 local terms energy: -602.872390 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -131.360 flat angles C4'-P-C4' energy: -151.051 flat angles P-C4'-P energy: -94.076 tors. eta vs tors. theta energy: -106.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1127.354353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.354353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.354353 (E_RNA) where: Base-Base interactions energy: -680.492 where: short stacking energy: -342.622 Base-Backbone interact. energy: 3.834 local terms energy: -450.696352 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -143.161 flat angles C4'-P-C4' energy: -131.238 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -21.270 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: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2989.600360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.600360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.600360 (E_RNA) where: Base-Base interactions energy: -2107.567 where: short stacking energy: -857.283 Base-Backbone interact. energy: 1.287 local terms energy: -883.320544 where: bonds (distance) C4'-P energy: -173.700 bonds (distance) P-C4' energy: -156.189 flat angles C4'-P-C4' energy: -185.121 flat angles P-C4'-P energy: -128.537 tors. eta vs tors. theta energy: -239.774 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2857.735747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.735747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.735747 (E_RNA) where: Base-Base interactions energy: -2030.847 where: short stacking energy: -865.452 Base-Backbone interact. energy: -4.193 local terms energy: -822.695537 where: bonds (distance) C4'-P energy: -145.262 bonds (distance) P-C4' energy: -168.568 flat angles C4'-P-C4' energy: -170.422 flat angles P-C4'-P energy: -113.718 tors. eta vs tors. theta energy: -224.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2762.064102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.064102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.064102 (E_RNA) where: Base-Base interactions energy: -1971.716 where: short stacking energy: -831.860 Base-Backbone interact. energy: -2.498 local terms energy: -787.850157 where: bonds (distance) C4'-P energy: -147.765 bonds (distance) P-C4' energy: -141.215 flat angles C4'-P-C4' energy: -179.108 flat angles P-C4'-P energy: -106.296 tors. eta vs tors. theta energy: -213.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2651.056035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.056035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.056035 (E_RNA) where: Base-Base interactions energy: -1873.838 where: short stacking energy: -766.940 Base-Backbone interact. energy: -5.947 local terms energy: -771.270978 where: bonds (distance) C4'-P energy: -140.028 bonds (distance) P-C4' energy: -153.351 flat angles C4'-P-C4' energy: -160.625 flat angles P-C4'-P energy: -112.507 tors. eta vs tors. theta energy: -204.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2432.240245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.240245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.240245 (E_RNA) where: Base-Base interactions energy: -1720.866 where: short stacking energy: -710.132 Base-Backbone interact. energy: -1.084 local terms energy: -710.290394 where: bonds (distance) C4'-P energy: -131.539 bonds (distance) P-C4' energy: -145.428 flat angles C4'-P-C4' energy: -173.496 flat angles P-C4'-P energy: -91.831 tors. eta vs tors. theta energy: -167.995 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: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2385.912328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.912328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.912328 (E_RNA) where: Base-Base interactions energy: -1680.532 where: short stacking energy: -705.348 Base-Backbone interact. energy: -3.437 local terms energy: -701.943575 where: bonds (distance) C4'-P energy: -130.716 bonds (distance) P-C4' energy: -153.200 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -92.794 tors. eta vs tors. theta energy: -180.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2276.947869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.947869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.947869 (E_RNA) where: Base-Base interactions energy: -1594.116 where: short stacking energy: -701.642 Base-Backbone interact. energy: -3.938 local terms energy: -678.893220 where: bonds (distance) C4'-P energy: -146.363 bonds (distance) P-C4' energy: -135.466 flat angles C4'-P-C4' energy: -133.086 flat angles P-C4'-P energy: -82.977 tors. eta vs tors. theta energy: -181.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1982.088991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.088991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.088991 (E_RNA) where: Base-Base interactions energy: -1351.611 where: short stacking energy: -595.216 Base-Backbone interact. energy: -4.333 local terms energy: -626.145021 where: bonds (distance) C4'-P energy: -136.528 bonds (distance) P-C4' energy: -129.643 flat angles C4'-P-C4' energy: -140.307 flat angles P-C4'-P energy: -86.671 tors. eta vs tors. theta energy: -132.995 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1876.966296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.966296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.966296 (E_RNA) where: Base-Base interactions energy: -1281.812 where: short stacking energy: -583.132 Base-Backbone interact. energy: 3.110 local terms energy: -598.264951 where: bonds (distance) C4'-P energy: -117.235 bonds (distance) P-C4' energy: -93.994 flat angles C4'-P-C4' energy: -162.113 flat angles P-C4'-P energy: -92.914 tors. eta vs tors. theta energy: -132.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1143.253653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.253653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.253653 (E_RNA) where: Base-Base interactions energy: -685.471 where: short stacking energy: -353.060 Base-Backbone interact. energy: -0.730 local terms energy: -457.052341 where: bonds (distance) C4'-P energy: -126.647 bonds (distance) P-C4' energy: -108.825 flat angles C4'-P-C4' energy: -126.112 flat angles P-C4'-P energy: -75.898 tors. eta vs tors. theta energy: -19.570 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: 2 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2933.554890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.554890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.554890 (E_RNA) where: Base-Base interactions energy: -2073.370 where: short stacking energy: -846.955 Base-Backbone interact. energy: -6.423 local terms energy: -853.761817 where: bonds (distance) C4'-P energy: -143.317 bonds (distance) P-C4' energy: -185.151 flat angles C4'-P-C4' energy: -181.129 flat angles P-C4'-P energy: -117.767 tors. eta vs tors. theta energy: -226.398 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: 146 Temperature: 0.950000 Total energy: -2828.810640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.810640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.810640 (E_RNA) where: Base-Base interactions energy: -2029.423 where: short stacking energy: -848.770 Base-Backbone interact. energy: -3.262 local terms energy: -796.125919 where: bonds (distance) C4'-P energy: -154.938 bonds (distance) P-C4' energy: -143.155 flat angles C4'-P-C4' energy: -176.333 flat angles P-C4'-P energy: -100.516 tors. eta vs tors. theta energy: -221.184 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: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2737.664794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.664794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.664794 (E_RNA) where: Base-Base interactions energy: -1914.893 where: short stacking energy: -816.298 Base-Backbone interact. energy: -2.650 local terms energy: -820.121422 where: bonds (distance) C4'-P energy: -144.446 bonds (distance) P-C4' energy: -160.985 flat angles C4'-P-C4' energy: -172.433 flat angles P-C4'-P energy: -122.346 tors. eta vs tors. theta energy: -219.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2661.807466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.807466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.807466 (E_RNA) where: Base-Base interactions energy: -1895.670 where: short stacking energy: -796.982 Base-Backbone interact. energy: -0.795 local terms energy: -765.342632 where: bonds (distance) C4'-P energy: -135.385 bonds (distance) P-C4' energy: -153.069 flat angles C4'-P-C4' energy: -166.724 flat angles P-C4'-P energy: -107.869 tors. eta vs tors. theta energy: -202.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2492.318404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.318404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.318404 (E_RNA) where: Base-Base interactions energy: -1754.737 where: short stacking energy: -763.525 Base-Backbone interact. energy: -4.205 local terms energy: -733.376983 where: bonds (distance) C4'-P energy: -115.900 bonds (distance) P-C4' energy: -155.019 flat angles C4'-P-C4' energy: -172.385 flat angles P-C4'-P energy: -88.602 tors. eta vs tors. theta energy: -201.471 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: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2291.862691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.862691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.862691 (E_RNA) where: Base-Base interactions energy: -1616.610 where: short stacking energy: -655.295 Base-Backbone interact. energy: -5.423 local terms energy: -669.830161 where: bonds (distance) C4'-P energy: -123.763 bonds (distance) P-C4' energy: -139.335 flat angles C4'-P-C4' energy: -141.150 flat angles P-C4'-P energy: -106.875 tors. eta vs tors. theta energy: -158.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2265.973287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.973287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.973287 (E_RNA) where: Base-Base interactions energy: -1581.414 where: short stacking energy: -668.964 Base-Backbone interact. energy: -2.669 local terms energy: -681.890140 where: bonds (distance) C4'-P energy: -123.897 bonds (distance) P-C4' energy: -139.786 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -90.472 tors. eta vs tors. theta energy: -182.459 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: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1972.486403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.486403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.486403 (E_RNA) where: Base-Base interactions energy: -1385.012 where: short stacking energy: -606.437 Base-Backbone interact. energy: -0.247 local terms energy: -587.227658 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -121.192 flat angles C4'-P-C4' energy: -139.583 flat angles P-C4'-P energy: -94.791 tors. eta vs tors. theta energy: -121.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1888.013889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.013889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.013889 (E_RNA) where: Base-Base interactions energy: -1285.645 where: short stacking energy: -549.495 Base-Backbone interact. energy: -4.195 local terms energy: -598.173518 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -125.554 flat angles C4'-P-C4' energy: -136.618 flat angles P-C4'-P energy: -92.928 tors. eta vs tors. theta energy: -110.320 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: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1164.726239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.726239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.726239 (E_RNA) where: Base-Base interactions energy: -724.836 where: short stacking energy: -357.494 Base-Backbone interact. energy: 6.673 local terms energy: -446.563133 where: bonds (distance) C4'-P energy: -113.355 bonds (distance) P-C4' energy: -111.396 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -68.372 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: 1, replica: 2 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3002.567136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.567136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.567136 (E_RNA) where: Base-Base interactions energy: -2120.311 where: short stacking energy: -889.153 Base-Backbone interact. energy: -3.766 local terms energy: -878.490136 where: bonds (distance) C4'-P energy: -160.709 bonds (distance) P-C4' energy: -179.389 flat angles C4'-P-C4' energy: -176.107 flat angles P-C4'-P energy: -117.362 tors. eta vs tors. theta energy: -244.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2857.672382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.672382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.672382 (E_RNA) where: Base-Base interactions energy: -2002.870 where: short stacking energy: -841.852 Base-Backbone interact. energy: -4.285 local terms energy: -850.517339 where: bonds (distance) C4'-P energy: -156.386 bonds (distance) P-C4' energy: -156.195 flat angles C4'-P-C4' energy: -188.489 flat angles P-C4'-P energy: -123.635 tors. eta vs tors. theta energy: -225.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2749.087169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.087169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.087169 (E_RNA) where: Base-Base interactions energy: -1923.744 where: short stacking energy: -824.477 Base-Backbone interact. energy: -2.266 local terms energy: -823.077618 where: bonds (distance) C4'-P energy: -139.120 bonds (distance) P-C4' energy: -163.295 flat angles C4'-P-C4' energy: -178.399 flat angles P-C4'-P energy: -121.413 tors. eta vs tors. theta energy: -220.850 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: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2676.647293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.647293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.647293 (E_RNA) where: Base-Base interactions energy: -1928.330 where: short stacking energy: -813.802 Base-Backbone interact. energy: -4.018 local terms energy: -744.299263 where: bonds (distance) C4'-P energy: -132.649 bonds (distance) P-C4' energy: -139.120 flat angles C4'-P-C4' energy: -174.807 flat angles P-C4'-P energy: -103.297 tors. eta vs tors. theta energy: -194.426 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: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2474.069798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.069798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.069798 (E_RNA) where: Base-Base interactions energy: -1728.195 where: short stacking energy: -776.986 Base-Backbone interact. energy: -2.052 local terms energy: -743.822604 where: bonds (distance) C4'-P energy: -132.143 bonds (distance) P-C4' energy: -141.208 flat angles C4'-P-C4' energy: -161.694 flat angles P-C4'-P energy: -113.739 tors. eta vs tors. theta energy: -195.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2276.447863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.447863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.447863 (E_RNA) where: Base-Base interactions energy: -1581.159 where: short stacking energy: -691.341 Base-Backbone interact. energy: -5.835 local terms energy: -689.453931 where: bonds (distance) C4'-P energy: -136.187 bonds (distance) P-C4' energy: -135.499 flat angles C4'-P-C4' energy: -161.583 flat angles P-C4'-P energy: -87.111 tors. eta vs tors. theta energy: -169.074 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: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2276.762296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.762296 (E_RNA) where: Base-Base interactions energy: -1562.983 where: short stacking energy: -678.526 Base-Backbone interact. energy: 2.252 local terms energy: -716.031165 where: bonds (distance) C4'-P energy: -125.930 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -162.888 flat angles P-C4'-P energy: -105.437 tors. eta vs tors. theta energy: -180.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -2019.417851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.417851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.417851 (E_RNA) where: Base-Base interactions energy: -1367.225 where: short stacking energy: -619.512 Base-Backbone interact. energy: 0.142 local terms energy: -652.335688 where: bonds (distance) C4'-P energy: -124.838 bonds (distance) P-C4' energy: -127.769 flat angles C4'-P-C4' energy: -142.757 flat angles P-C4'-P energy: -109.222 tors. eta vs tors. theta energy: -147.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1862.941351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.941351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.941351 (E_RNA) where: Base-Base interactions energy: -1289.386 where: short stacking energy: -560.256 Base-Backbone interact. energy: 2.553 local terms energy: -576.108276 where: bonds (distance) C4'-P energy: -95.250 bonds (distance) P-C4' energy: -140.062 flat angles C4'-P-C4' energy: -138.481 flat angles P-C4'-P energy: -82.175 tors. eta vs tors. theta energy: -120.141 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: 10, replica: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1153.328783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.328783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.328783 (E_RNA) where: Base-Base interactions energy: -713.047 where: short stacking energy: -329.049 Base-Backbone interact. energy: 4.402 local terms energy: -444.683384 where: bonds (distance) C4'-P energy: -126.610 bonds (distance) P-C4' energy: -124.894 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -64.616 tors. eta vs tors. theta energy: -24.710 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: 2 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2985.188558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.188558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.188558 (E_RNA) where: Base-Base interactions energy: -2114.663 where: short stacking energy: -888.170 Base-Backbone interact. energy: 0.598 local terms energy: -871.122940 where: bonds (distance) C4'-P energy: -164.131 bonds (distance) P-C4' energy: -172.777 flat angles C4'-P-C4' energy: -186.447 flat angles P-C4'-P energy: -111.532 tors. eta vs tors. theta energy: -236.236 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2819.711385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.711385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.711385 (E_RNA) where: Base-Base interactions energy: -1984.886 where: short stacking energy: -856.639 Base-Backbone interact. energy: -1.832 local terms energy: -832.993282 where: bonds (distance) C4'-P energy: -154.980 bonds (distance) P-C4' energy: -159.529 flat angles C4'-P-C4' energy: -179.927 flat angles P-C4'-P energy: -119.687 tors. eta vs tors. theta energy: -218.871 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: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2791.924082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.924082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.924082 (E_RNA) where: Base-Base interactions energy: -1968.065 where: short stacking energy: -823.635 Base-Backbone interact. energy: -2.706 local terms energy: -821.152221 where: bonds (distance) C4'-P energy: -161.973 bonds (distance) P-C4' energy: -143.753 flat angles C4'-P-C4' energy: -170.500 flat angles P-C4'-P energy: -116.907 tors. eta vs tors. theta energy: -228.020 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: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2665.250374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.250374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.250374 (E_RNA) where: Base-Base interactions energy: -1919.472 where: short stacking energy: -805.861 Base-Backbone interact. energy: -3.146 local terms energy: -742.632850 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -152.835 flat angles C4'-P-C4' energy: -154.984 flat angles P-C4'-P energy: -104.701 tors. eta vs tors. theta energy: -204.544 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: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2531.547389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.547389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.547389 (E_RNA) where: Base-Base interactions energy: -1773.146 where: short stacking energy: -785.634 Base-Backbone interact. energy: -4.467 local terms energy: -753.934055 where: bonds (distance) C4'-P energy: -150.252 bonds (distance) P-C4' energy: -134.940 flat angles C4'-P-C4' energy: -172.773 flat angles P-C4'-P energy: -103.120 tors. eta vs tors. theta energy: -192.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2325.118948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.118948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.118948 (E_RNA) where: Base-Base interactions energy: -1628.360 where: short stacking energy: -701.549 Base-Backbone interact. energy: -4.426 local terms energy: -692.332997 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -139.598 flat angles C4'-P-C4' energy: -166.425 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -168.200 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: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2293.965452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.965452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.965452 (E_RNA) where: Base-Base interactions energy: -1600.534 where: short stacking energy: -679.514 Base-Backbone interact. energy: -4.917 local terms energy: -688.514494 where: bonds (distance) C4'-P energy: -138.142 bonds (distance) P-C4' energy: -135.644 flat angles C4'-P-C4' energy: -159.230 flat angles P-C4'-P energy: -73.553 tors. eta vs tors. theta energy: -181.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2038.977167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.977167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.977167 (E_RNA) where: Base-Base interactions energy: -1396.397 where: short stacking energy: -605.553 Base-Backbone interact. energy: -1.801 local terms energy: -640.779776 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -133.436 flat angles C4'-P-C4' energy: -144.565 flat angles P-C4'-P energy: -95.303 tors. eta vs tors. theta energy: -140.130 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: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1891.421770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.421770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.421770 (E_RNA) where: Base-Base interactions energy: -1290.626 where: short stacking energy: -567.276 Base-Backbone interact. energy: -3.289 local terms energy: -597.506525 where: bonds (distance) C4'-P energy: -116.701 bonds (distance) P-C4' energy: -116.797 flat angles C4'-P-C4' energy: -139.309 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -136.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1178.061113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.061113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.061113 (E_RNA) where: Base-Base interactions energy: -690.390 where: short stacking energy: -345.173 Base-Backbone interact. energy: -1.372 local terms energy: -486.299304 where: bonds (distance) C4'-P energy: -116.235 bonds (distance) P-C4' energy: -113.991 flat angles C4'-P-C4' energy: -130.823 flat angles P-C4'-P energy: -91.627 tors. eta vs tors. theta energy: -33.624 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: 1, replica: 2 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2988.076127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.076127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.076127 (E_RNA) where: Base-Base interactions energy: -2101.917 where: short stacking energy: -885.790 Base-Backbone interact. energy: -3.579 local terms energy: -882.580533 where: bonds (distance) C4'-P energy: -158.103 bonds (distance) P-C4' energy: -171.809 flat angles C4'-P-C4' energy: -196.505 flat angles P-C4'-P energy: -123.036 tors. eta vs tors. theta energy: -233.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2823.098667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.098667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.098667 (E_RNA) where: Base-Base interactions energy: -1976.158 where: short stacking energy: -840.906 Base-Backbone interact. energy: -1.179 local terms energy: -845.762211 where: bonds (distance) C4'-P energy: -168.727 bonds (distance) P-C4' energy: -157.978 flat angles C4'-P-C4' energy: -183.866 flat angles P-C4'-P energy: -109.151 tors. eta vs tors. theta energy: -226.041 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: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2763.624927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.624927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.624927 (E_RNA) where: Base-Base interactions energy: -1961.062 where: short stacking energy: -832.681 Base-Backbone interact. energy: -3.758 local terms energy: -798.804956 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -148.594 flat angles C4'-P-C4' energy: -174.208 flat angles P-C4'-P energy: -109.824 tors. eta vs tors. theta energy: -222.925 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: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2684.266937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.266937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.266937 (E_RNA) where: Base-Base interactions energy: -1916.171 where: short stacking energy: -799.638 Base-Backbone interact. energy: -4.212 local terms energy: -763.884366 where: bonds (distance) C4'-P energy: -133.804 bonds (distance) P-C4' energy: -154.084 flat angles C4'-P-C4' energy: -173.850 flat angles P-C4'-P energy: -100.824 tors. eta vs tors. theta energy: -201.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2466.944290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.944290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.944290 (E_RNA) where: Base-Base interactions energy: -1736.083 where: short stacking energy: -788.095 Base-Backbone interact. energy: -4.195 local terms energy: -726.666586 where: bonds (distance) C4'-P energy: -134.716 bonds (distance) P-C4' energy: -135.421 flat angles C4'-P-C4' energy: -164.986 flat angles P-C4'-P energy: -100.622 tors. eta vs tors. theta energy: -190.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2416.453533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.453533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.453533 (E_RNA) where: Base-Base interactions energy: -1753.859 where: short stacking energy: -708.661 Base-Backbone interact. energy: 8.105 local terms energy: -670.699524 where: bonds (distance) C4'-P energy: -130.167 bonds (distance) P-C4' energy: -132.081 flat angles C4'-P-C4' energy: -139.101 flat angles P-C4'-P energy: -110.969 tors. eta vs tors. theta energy: -158.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2224.598348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.598348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.598348 (E_RNA) where: Base-Base interactions energy: -1556.161 where: short stacking energy: -677.789 Base-Backbone interact. energy: -0.466 local terms energy: -667.971115 where: bonds (distance) C4'-P energy: -120.581 bonds (distance) P-C4' energy: -130.312 flat angles C4'-P-C4' energy: -159.671 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -172.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -2031.045322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.045322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.045322 (E_RNA) where: Base-Base interactions energy: -1420.310 where: short stacking energy: -592.029 Base-Backbone interact. energy: -2.323 local terms energy: -608.412913 where: bonds (distance) C4'-P energy: -136.626 bonds (distance) P-C4' energy: -113.835 flat angles C4'-P-C4' energy: -146.764 flat angles P-C4'-P energy: -78.330 tors. eta vs tors. theta energy: -132.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1866.954949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.954949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.954949 (E_RNA) where: Base-Base interactions energy: -1304.292 where: short stacking energy: -532.413 Base-Backbone interact. energy: -1.176 local terms energy: -561.486706 where: bonds (distance) C4'-P energy: -118.700 bonds (distance) P-C4' energy: -125.448 flat angles C4'-P-C4' energy: -138.772 flat angles P-C4'-P energy: -68.300 tors. eta vs tors. theta energy: -110.267 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: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1164.313631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.313631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.313631 (E_RNA) where: Base-Base interactions energy: -687.680 where: short stacking energy: -351.339 Base-Backbone interact. energy: -3.275 local terms energy: -473.358626 where: bonds (distance) C4'-P energy: -127.243 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -119.062 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -38.949 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: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2996.553844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.553844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.553844 (E_RNA) where: Base-Base interactions energy: -2116.857 where: short stacking energy: -891.054 Base-Backbone interact. energy: -4.468 local terms energy: -875.228620 where: bonds (distance) C4'-P energy: -165.687 bonds (distance) P-C4' energy: -159.969 flat angles C4'-P-C4' energy: -188.312 flat angles P-C4'-P energy: -126.956 tors. eta vs tors. theta energy: -234.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2799.045913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.045913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.045913 (E_RNA) where: Base-Base interactions energy: -1954.980 where: short stacking energy: -856.707 Base-Backbone interact. energy: -1.574 local terms energy: -842.492207 where: bonds (distance) C4'-P energy: -156.756 bonds (distance) P-C4' energy: -164.650 flat angles C4'-P-C4' energy: -177.536 flat angles P-C4'-P energy: -110.271 tors. eta vs tors. theta energy: -233.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2755.569062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.569062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.569062 (E_RNA) where: Base-Base interactions energy: -1947.255 where: short stacking energy: -827.646 Base-Backbone interact. energy: -3.556 local terms energy: -804.758552 where: bonds (distance) C4'-P energy: -142.528 bonds (distance) P-C4' energy: -157.493 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -115.769 tors. eta vs tors. theta energy: -217.008 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: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2662.971350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.971350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.971350 (E_RNA) where: Base-Base interactions energy: -1881.824 where: short stacking energy: -778.930 Base-Backbone interact. energy: -3.920 local terms energy: -777.227150 where: bonds (distance) C4'-P energy: -142.728 bonds (distance) P-C4' energy: -157.755 flat angles C4'-P-C4' energy: -173.965 flat angles P-C4'-P energy: -95.736 tors. eta vs tors. theta energy: -207.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2475.208302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.208302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.208302 (E_RNA) where: Base-Base interactions energy: -1751.260 where: short stacking energy: -759.993 Base-Backbone interact. energy: -1.821 local terms energy: -722.126973 where: bonds (distance) C4'-P energy: -109.447 bonds (distance) P-C4' energy: -146.631 flat angles C4'-P-C4' energy: -168.433 flat angles P-C4'-P energy: -102.139 tors. eta vs tors. theta energy: -195.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2426.666602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.666602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.666602 (E_RNA) where: Base-Base interactions energy: -1728.360 where: short stacking energy: -698.146 Base-Backbone interact. energy: -4.042 local terms energy: -694.264152 where: bonds (distance) C4'-P energy: -152.563 bonds (distance) P-C4' energy: -124.141 flat angles C4'-P-C4' energy: -162.753 flat angles P-C4'-P energy: -100.721 tors. eta vs tors. theta energy: -154.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2185.099324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.099324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.099324 (E_RNA) where: Base-Base interactions energy: -1513.731 where: short stacking energy: -666.528 Base-Backbone interact. energy: -4.496 local terms energy: -666.872051 where: bonds (distance) C4'-P energy: -132.028 bonds (distance) P-C4' energy: -141.212 flat angles C4'-P-C4' energy: -157.007 flat angles P-C4'-P energy: -75.663 tors. eta vs tors. theta energy: -160.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1987.571423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.571423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.571423 (E_RNA) where: Base-Base interactions energy: -1339.751 where: short stacking energy: -570.975 Base-Backbone interact. energy: -3.045 local terms energy: -644.775381 where: bonds (distance) C4'-P energy: -130.579 bonds (distance) P-C4' energy: -169.369 flat angles C4'-P-C4' energy: -141.994 flat angles P-C4'-P energy: -90.467 tors. eta vs tors. theta energy: -112.366 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: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1846.642573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.642573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.642573 (E_RNA) where: Base-Base interactions energy: -1222.835 where: short stacking energy: -510.499 Base-Backbone interact. energy: 4.849 local terms energy: -628.656068 where: bonds (distance) C4'-P energy: -145.728 bonds (distance) P-C4' energy: -151.393 flat angles C4'-P-C4' energy: -150.299 flat angles P-C4'-P energy: -74.272 tors. eta vs tors. theta energy: -106.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1104.869870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.869870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.869870 (E_RNA) where: Base-Base interactions energy: -634.362 where: short stacking energy: -330.762 Base-Backbone interact. energy: -6.998 local terms energy: -463.509816 where: bonds (distance) C4'-P energy: -133.018 bonds (distance) P-C4' energy: -128.704 flat angles C4'-P-C4' energy: -116.194 flat angles P-C4'-P energy: -64.300 tors. eta vs tors. theta energy: -21.295 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: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2991.301707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.301707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.301707 (E_RNA) where: Base-Base interactions energy: -2103.848 where: short stacking energy: -845.917 Base-Backbone interact. energy: -4.057 local terms energy: -883.396373 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -162.136 flat angles C4'-P-C4' energy: -195.068 flat angles P-C4'-P energy: -131.697 tors. eta vs tors. theta energy: -234.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2820.712475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.712475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.712475 (E_RNA) where: Base-Base interactions energy: -1962.862 where: short stacking energy: -854.260 Base-Backbone interact. energy: -1.475 local terms energy: -856.375589 where: bonds (distance) C4'-P energy: -169.052 bonds (distance) P-C4' energy: -156.080 flat angles C4'-P-C4' energy: -178.905 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -239.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2767.622158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.622158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.622158 (E_RNA) where: Base-Base interactions energy: -1925.393 where: short stacking energy: -819.449 Base-Backbone interact. energy: -3.265 local terms energy: -838.964321 where: bonds (distance) C4'-P energy: -170.786 bonds (distance) P-C4' energy: -156.045 flat angles C4'-P-C4' energy: -161.159 flat angles P-C4'-P energy: -132.323 tors. eta vs tors. theta energy: -218.652 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: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2688.700520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.700520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.700520 (E_RNA) where: Base-Base interactions energy: -1901.917 where: short stacking energy: -797.670 Base-Backbone interact. energy: -3.069 local terms energy: -783.715210 where: bonds (distance) C4'-P energy: -141.285 bonds (distance) P-C4' energy: -154.124 flat angles C4'-P-C4' energy: -173.318 flat angles P-C4'-P energy: -105.774 tors. eta vs tors. theta energy: -209.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2531.095481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.095481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.095481 (E_RNA) where: Base-Base interactions energy: -1786.444 where: short stacking energy: -751.039 Base-Backbone interact. energy: 0.811 local terms energy: -745.462194 where: bonds (distance) C4'-P energy: -151.104 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -172.486 flat angles P-C4'-P energy: -98.104 tors. eta vs tors. theta energy: -194.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2336.161819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.161819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.161819 (E_RNA) where: Base-Base interactions energy: -1630.055 where: short stacking energy: -710.106 Base-Backbone interact. energy: 1.479 local terms energy: -707.586107 where: bonds (distance) C4'-P energy: -147.234 bonds (distance) P-C4' energy: -142.640 flat angles C4'-P-C4' energy: -155.871 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -169.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2195.499300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.499300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.499300 (E_RNA) where: Base-Base interactions energy: -1510.122 where: short stacking energy: -644.480 Base-Backbone interact. energy: 1.628 local terms energy: -687.005593 where: bonds (distance) C4'-P energy: -139.129 bonds (distance) P-C4' energy: -137.449 flat angles C4'-P-C4' energy: -158.084 flat angles P-C4'-P energy: -94.653 tors. eta vs tors. theta energy: -157.691 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: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1978.265142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.265142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.265142 (E_RNA) where: Base-Base interactions energy: -1373.115 where: short stacking energy: -624.994 Base-Backbone interact. energy: -2.326 local terms energy: -602.823843 where: bonds (distance) C4'-P energy: -126.210 bonds (distance) P-C4' energy: -123.884 flat angles C4'-P-C4' energy: -125.902 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -152.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1821.137112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.137112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.137112 (E_RNA) where: Base-Base interactions energy: -1268.814 where: short stacking energy: -551.977 Base-Backbone interact. energy: -1.320 local terms energy: -551.002645 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -127.505 flat angles C4'-P-C4' energy: -126.650 flat angles P-C4'-P energy: -77.117 tors. eta vs tors. theta energy: -118.228 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: 5 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1148.111787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.111787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.111787 (E_RNA) where: Base-Base interactions energy: -650.704 where: short stacking energy: -353.589 Base-Backbone interact. energy: 0.081 local terms energy: -497.488715 where: bonds (distance) C4'-P energy: -127.078 bonds (distance) P-C4' energy: -127.428 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -79.522 tors. eta vs tors. theta energy: -34.095 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: 2 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2975.761881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.761881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.761881 (E_RNA) where: Base-Base interactions energy: -2112.737 where: short stacking energy: -848.696 Base-Backbone interact. energy: -2.330 local terms energy: -860.693989 where: bonds (distance) C4'-P energy: -161.847 bonds (distance) P-C4' energy: -164.969 flat angles C4'-P-C4' energy: -184.514 flat angles P-C4'-P energy: -125.840 tors. eta vs tors. theta energy: -223.525 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: 152 Temperature: 0.950000 Total energy: -2814.023690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.023690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.023690 (E_RNA) where: Base-Base interactions energy: -1985.409 where: short stacking energy: -843.288 Base-Backbone interact. energy: -0.775 local terms energy: -827.839405 where: bonds (distance) C4'-P energy: -151.605 bonds (distance) P-C4' energy: -149.992 flat angles C4'-P-C4' energy: -183.945 flat angles P-C4'-P energy: -110.765 tors. eta vs tors. theta energy: -231.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2784.495809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.495809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.495809 (E_RNA) where: Base-Base interactions energy: -1978.862 where: short stacking energy: -855.491 Base-Backbone interact. energy: -4.542 local terms energy: -801.092075 where: bonds (distance) C4'-P energy: -138.449 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -172.234 flat angles P-C4'-P energy: -110.349 tors. eta vs tors. theta energy: -235.410 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: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2655.642984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.642984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.642984 (E_RNA) where: Base-Base interactions energy: -1868.361 where: short stacking energy: -792.919 Base-Backbone interact. energy: -0.862 local terms energy: -786.419782 where: bonds (distance) C4'-P energy: -157.165 bonds (distance) P-C4' energy: -144.361 flat angles C4'-P-C4' energy: -170.456 flat angles P-C4'-P energy: -109.312 tors. eta vs tors. theta energy: -205.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2518.187802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.187802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.187802 (E_RNA) where: Base-Base interactions energy: -1782.017 where: short stacking energy: -741.776 Base-Backbone interact. energy: -1.997 local terms energy: -734.173510 where: bonds (distance) C4'-P energy: -123.531 bonds (distance) P-C4' energy: -135.564 flat angles C4'-P-C4' energy: -162.073 flat angles P-C4'-P energy: -116.030 tors. eta vs tors. theta energy: -196.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2310.440242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.440242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.440242 (E_RNA) where: Base-Base interactions energy: -1668.818 where: short stacking energy: -700.250 Base-Backbone interact. energy: 1.563 local terms energy: -643.185273 where: bonds (distance) C4'-P energy: -118.808 bonds (distance) P-C4' energy: -131.788 flat angles C4'-P-C4' energy: -129.656 flat angles P-C4'-P energy: -97.684 tors. eta vs tors. theta energy: -165.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2260.707212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.707212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.707212 (E_RNA) where: Base-Base interactions energy: -1590.203 where: short stacking energy: -663.543 Base-Backbone interact. energy: -2.973 local terms energy: -667.531002 where: bonds (distance) C4'-P energy: -115.418 bonds (distance) P-C4' energy: -145.819 flat angles C4'-P-C4' energy: -160.958 flat angles P-C4'-P energy: -80.367 tors. eta vs tors. theta energy: -164.969 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: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2008.347058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.347058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.347058 (E_RNA) where: Base-Base interactions energy: -1386.575 where: short stacking energy: -601.118 Base-Backbone interact. energy: -1.801 local terms energy: -619.970544 where: bonds (distance) C4'-P energy: -127.707 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -136.420 flat angles P-C4'-P energy: -98.905 tors. eta vs tors. theta energy: -137.963 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: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1845.160713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.160713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.160713 (E_RNA) where: Base-Base interactions energy: -1275.440 where: short stacking energy: -547.092 Base-Backbone interact. energy: -2.485 local terms energy: -567.235464 where: bonds (distance) C4'-P energy: -109.748 bonds (distance) P-C4' energy: -135.865 flat angles C4'-P-C4' energy: -129.099 flat angles P-C4'-P energy: -73.631 tors. eta vs tors. theta energy: -118.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1122.169350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.169350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.169350 (E_RNA) where: Base-Base interactions energy: -664.676 where: short stacking energy: -330.291 Base-Backbone interact. energy: -2.388 local terms energy: -455.105393 where: bonds (distance) C4'-P energy: -116.962 bonds (distance) P-C4' energy: -128.409 flat angles C4'-P-C4' energy: -112.945 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -22.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2977.009249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.009249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.009249 (E_RNA) where: Base-Base interactions energy: -2116.669 where: short stacking energy: -872.236 Base-Backbone interact. energy: -5.947 local terms energy: -854.393874 where: bonds (distance) C4'-P energy: -145.428 bonds (distance) P-C4' energy: -176.461 flat angles C4'-P-C4' energy: -188.193 flat angles P-C4'-P energy: -125.902 tors. eta vs tors. theta energy: -218.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2809.568201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.568201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.568201 (E_RNA) where: Base-Base interactions energy: -1952.564 where: short stacking energy: -852.672 Base-Backbone interact. energy: -1.812 local terms energy: -855.191783 where: bonds (distance) C4'-P energy: -150.962 bonds (distance) P-C4' energy: -162.157 flat angles C4'-P-C4' energy: -185.164 flat angles P-C4'-P energy: -130.129 tors. eta vs tors. theta energy: -226.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2767.281090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.281090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.281090 (E_RNA) where: Base-Base interactions energy: -1968.933 where: short stacking energy: -855.550 Base-Backbone interact. energy: -6.490 local terms energy: -791.858338 where: bonds (distance) C4'-P energy: -142.609 bonds (distance) P-C4' energy: -142.248 flat angles C4'-P-C4' energy: -176.040 flat angles P-C4'-P energy: -97.904 tors. eta vs tors. theta energy: -233.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2663.235401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.235401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.235401 (E_RNA) where: Base-Base interactions energy: -1880.478 where: short stacking energy: -795.267 Base-Backbone interact. energy: -2.517 local terms energy: -780.240537 where: bonds (distance) C4'-P energy: -152.717 bonds (distance) P-C4' energy: -147.816 flat angles C4'-P-C4' energy: -165.180 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -200.259 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: 5, replica: 7 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2540.105088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.105088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.105088 (E_RNA) where: Base-Base interactions energy: -1763.077 where: short stacking energy: -771.894 Base-Backbone interact. energy: -5.998 local terms energy: -771.030125 where: bonds (distance) C4'-P energy: -146.743 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -169.635 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -209.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2295.944645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.944645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.944645 (E_RNA) where: Base-Base interactions energy: -1638.310 where: short stacking energy: -681.379 Base-Backbone interact. energy: -5.539 local terms energy: -652.095227 where: bonds (distance) C4'-P energy: -122.121 bonds (distance) P-C4' energy: -142.227 flat angles C4'-P-C4' energy: -146.224 flat angles P-C4'-P energy: -86.176 tors. eta vs tors. theta energy: -155.347 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: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2228.358764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.358764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.358764 (E_RNA) where: Base-Base interactions energy: -1525.430 where: short stacking energy: -667.292 Base-Backbone interact. energy: -5.964 local terms energy: -696.964850 where: bonds (distance) C4'-P energy: -145.735 bonds (distance) P-C4' energy: -138.005 flat angles C4'-P-C4' energy: -148.063 flat angles P-C4'-P energy: -89.698 tors. eta vs tors. theta energy: -175.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1932.160006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.160006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.160006 (E_RNA) where: Base-Base interactions energy: -1324.516 where: short stacking energy: -606.409 Base-Backbone interact. energy: -0.750 local terms energy: -606.893415 where: bonds (distance) C4'-P energy: -104.349 bonds (distance) P-C4' energy: -148.123 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -145.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1903.637840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.637840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.637840 (E_RNA) where: Base-Base interactions energy: -1308.595 where: short stacking energy: -553.362 Base-Backbone interact. energy: -2.322 local terms energy: -592.721816 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -108.839 flat angles C4'-P-C4' energy: -143.233 flat angles P-C4'-P energy: -83.040 tors. eta vs tors. theta energy: -116.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1119.609642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.609642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.609642 (E_RNA) where: Base-Base interactions energy: -672.419 where: short stacking energy: -359.341 Base-Backbone interact. energy: 1.978 local terms energy: -449.168380 where: bonds (distance) C4'-P energy: -115.872 bonds (distance) P-C4' energy: -128.590 flat angles C4'-P-C4' energy: -122.150 flat angles P-C4'-P energy: -55.500 tors. eta vs tors. theta energy: -27.057 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: 1, replica: 2 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2978.001868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.001868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.001868 (E_RNA) where: Base-Base interactions energy: -2120.672 where: short stacking energy: -868.860 Base-Backbone interact. energy: -5.361 local terms energy: -851.968684 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -192.144 flat angles P-C4'-P energy: -126.998 tors. eta vs tors. theta energy: -229.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2829.397583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.397583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.397583 (E_RNA) where: Base-Base interactions energy: -1986.626 where: short stacking energy: -870.504 Base-Backbone interact. energy: -4.841 local terms energy: -837.930717 where: bonds (distance) C4'-P energy: -146.867 bonds (distance) P-C4' energy: -160.190 flat angles C4'-P-C4' energy: -186.416 flat angles P-C4'-P energy: -117.633 tors. eta vs tors. theta energy: -226.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2784.007148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.007148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.007148 (E_RNA) where: Base-Base interactions energy: -1956.170 where: short stacking energy: -837.992 Base-Backbone interact. energy: 3.029 local terms energy: -830.866366 where: bonds (distance) C4'-P energy: -152.292 bonds (distance) P-C4' energy: -151.398 flat angles C4'-P-C4' energy: -174.491 flat angles P-C4'-P energy: -121.925 tors. eta vs tors. theta energy: -230.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2653.388314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.388314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.388314 (E_RNA) where: Base-Base interactions energy: -1893.186 where: short stacking energy: -757.104 Base-Backbone interact. energy: -3.539 local terms energy: -756.663447 where: bonds (distance) C4'-P energy: -136.603 bonds (distance) P-C4' energy: -169.117 flat angles C4'-P-C4' energy: -159.963 flat angles P-C4'-P energy: -94.733 tors. eta vs tors. theta energy: -196.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2508.303329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.303329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.303329 (E_RNA) where: Base-Base interactions energy: -1748.594 where: short stacking energy: -755.248 Base-Backbone interact. energy: -2.629 local terms energy: -757.079983 where: bonds (distance) C4'-P energy: -135.469 bonds (distance) P-C4' energy: -134.043 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -112.150 tors. eta vs tors. theta energy: -209.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2312.046310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.046310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.046310 (E_RNA) where: Base-Base interactions energy: -1616.977 where: short stacking energy: -649.155 Base-Backbone interact. energy: -3.972 local terms energy: -691.097442 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -140.336 flat angles C4'-P-C4' energy: -157.611 flat angles P-C4'-P energy: -102.769 tors. eta vs tors. theta energy: -159.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2105.150762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.150762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.150762 (E_RNA) where: Base-Base interactions energy: -1434.645 where: short stacking energy: -638.542 Base-Backbone interact. energy: -3.065 local terms energy: -667.440147 where: bonds (distance) C4'-P energy: -132.010 bonds (distance) P-C4' energy: -147.103 flat angles C4'-P-C4' energy: -150.938 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -161.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1983.480950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.480950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.480950 (E_RNA) where: Base-Base interactions energy: -1318.468 where: short stacking energy: -600.541 Base-Backbone interact. energy: 0.799 local terms energy: -665.812146 where: bonds (distance) C4'-P energy: -144.725 bonds (distance) P-C4' energy: -140.031 flat angles C4'-P-C4' energy: -157.639 flat angles P-C4'-P energy: -85.150 tors. eta vs tors. theta energy: -138.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1910.291926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.291926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.291926 (E_RNA) where: Base-Base interactions energy: -1297.652 where: short stacking energy: -570.249 Base-Backbone interact. energy: -4.293 local terms energy: -608.346661 where: bonds (distance) C4'-P energy: -128.681 bonds (distance) P-C4' energy: -120.580 flat angles C4'-P-C4' energy: -144.773 flat angles P-C4'-P energy: -96.897 tors. eta vs tors. theta energy: -117.415 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: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1141.480727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.480727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.480727 (E_RNA) where: Base-Base interactions energy: -667.313 where: short stacking energy: -333.809 Base-Backbone interact. energy: 6.735 local terms energy: -480.902076 where: bonds (distance) C4'-P energy: -133.320 bonds (distance) P-C4' energy: -128.141 flat angles C4'-P-C4' energy: -109.935 flat angles P-C4'-P energy: -68.797 tors. eta vs tors. theta energy: -40.709 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: 2 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2997.080070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.080070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.080070 (E_RNA) where: Base-Base interactions energy: -2127.709 where: short stacking energy: -872.837 Base-Backbone interact. energy: -7.689 local terms energy: -861.682134 where: bonds (distance) C4'-P energy: -175.845 bonds (distance) P-C4' energy: -141.990 flat angles C4'-P-C4' energy: -187.709 flat angles P-C4'-P energy: -127.064 tors. eta vs tors. theta energy: -229.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2814.438437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.438437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.438437 (E_RNA) where: Base-Base interactions energy: -1963.803 where: short stacking energy: -831.771 Base-Backbone interact. energy: -3.712 local terms energy: -846.923868 where: bonds (distance) C4'-P energy: -152.759 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -181.916 flat angles P-C4'-P energy: -129.547 tors. eta vs tors. theta energy: -212.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2765.909174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.909174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.909174 (E_RNA) where: Base-Base interactions energy: -1932.585 where: short stacking energy: -847.165 Base-Backbone interact. energy: -6.678 local terms energy: -826.646735 where: bonds (distance) C4'-P energy: -138.762 bonds (distance) P-C4' energy: -166.121 flat angles C4'-P-C4' energy: -156.538 flat angles P-C4'-P energy: -123.730 tors. eta vs tors. theta energy: -241.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2641.865442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.865442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.865442 (E_RNA) where: Base-Base interactions energy: -1845.570 where: short stacking energy: -766.222 Base-Backbone interact. energy: -3.684 local terms energy: -792.611510 where: bonds (distance) C4'-P energy: -165.237 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -171.717 flat angles P-C4'-P energy: -102.562 tors. eta vs tors. theta energy: -202.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2522.373040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.373040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.373040 (E_RNA) where: Base-Base interactions energy: -1764.550 where: short stacking energy: -744.759 Base-Backbone interact. energy: -4.098 local terms energy: -753.724742 where: bonds (distance) C4'-P energy: -129.985 bonds (distance) P-C4' energy: -141.749 flat angles C4'-P-C4' energy: -176.171 flat angles P-C4'-P energy: -112.902 tors. eta vs tors. theta energy: -192.917 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: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2307.960089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.960089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.960089 (E_RNA) where: Base-Base interactions energy: -1614.129 where: short stacking energy: -662.800 Base-Backbone interact. energy: -0.323 local terms energy: -693.507834 where: bonds (distance) C4'-P energy: -141.997 bonds (distance) P-C4' energy: -141.435 flat angles C4'-P-C4' energy: -155.279 flat angles P-C4'-P energy: -100.662 tors. eta vs tors. theta energy: -154.134 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: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2122.398607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.398607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.398607 (E_RNA) where: Base-Base interactions energy: -1454.539 where: short stacking energy: -618.190 Base-Backbone interact. energy: -2.939 local terms energy: -664.921202 where: bonds (distance) C4'-P energy: -117.926 bonds (distance) P-C4' energy: -144.065 flat angles C4'-P-C4' energy: -155.257 flat angles P-C4'-P energy: -98.320 tors. eta vs tors. theta energy: -149.353 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: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1937.876703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.876703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.876703 (E_RNA) where: Base-Base interactions energy: -1316.898 where: short stacking energy: -577.414 Base-Backbone interact. energy: -1.433 local terms energy: -619.545328 where: bonds (distance) C4'-P energy: -111.570 bonds (distance) P-C4' energy: -134.258 flat angles C4'-P-C4' energy: -138.939 flat angles P-C4'-P energy: -110.206 tors. eta vs tors. theta energy: -124.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1907.046155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.046155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.046155 (E_RNA) where: Base-Base interactions energy: -1295.361 where: short stacking energy: -572.417 Base-Backbone interact. energy: -3.502 local terms energy: -608.183563 where: bonds (distance) C4'-P energy: -133.196 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -151.993 flat angles P-C4'-P energy: -68.888 tors. eta vs tors. theta energy: -128.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1180.690787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.690787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.690787 (E_RNA) where: Base-Base interactions energy: -707.589 where: short stacking energy: -336.347 Base-Backbone interact. energy: -0.665 local terms energy: -472.436365 where: bonds (distance) C4'-P energy: -126.156 bonds (distance) P-C4' energy: -140.334 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -71.173 tors. eta vs tors. theta energy: -34.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3014.677309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.677309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.677309 (E_RNA) where: Base-Base interactions energy: -2134.856 where: short stacking energy: -899.542 Base-Backbone interact. energy: -1.719 local terms energy: -878.101882 where: bonds (distance) C4'-P energy: -145.547 bonds (distance) P-C4' energy: -159.651 flat angles C4'-P-C4' energy: -200.920 flat angles P-C4'-P energy: -137.151 tors. eta vs tors. theta energy: -234.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2824.022871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.022871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.022871 (E_RNA) where: Base-Base interactions energy: -1992.898 where: short stacking energy: -863.444 Base-Backbone interact. energy: -3.645 local terms energy: -827.479755 where: bonds (distance) C4'-P energy: -159.682 bonds (distance) P-C4' energy: -154.917 flat angles C4'-P-C4' energy: -181.224 flat angles P-C4'-P energy: -109.516 tors. eta vs tors. theta energy: -222.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2772.211750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.211750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.211750 (E_RNA) where: Base-Base interactions energy: -1965.832 where: short stacking energy: -857.139 Base-Backbone interact. energy: -3.253 local terms energy: -803.127563 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -137.817 flat angles C4'-P-C4' energy: -173.947 flat angles P-C4'-P energy: -109.929 tors. eta vs tors. theta energy: -237.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2591.205715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.205715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.205715 (E_RNA) where: Base-Base interactions energy: -1821.777 where: short stacking energy: -748.037 Base-Backbone interact. energy: -3.917 local terms energy: -765.512033 where: bonds (distance) C4'-P energy: -140.008 bonds (distance) P-C4' energy: -147.600 flat angles C4'-P-C4' energy: -161.904 flat angles P-C4'-P energy: -110.650 tors. eta vs tors. theta energy: -205.351 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: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2506.191174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.191174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.191174 (E_RNA) where: Base-Base interactions energy: -1749.688 where: short stacking energy: -760.759 Base-Backbone interact. energy: 4.021 local terms energy: -760.524174 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -146.142 flat angles C4'-P-C4' energy: -155.896 flat angles P-C4'-P energy: -124.667 tors. eta vs tors. theta energy: -190.235 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2341.635393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.635393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.635393 (E_RNA) where: Base-Base interactions energy: -1652.667 where: short stacking energy: -677.190 Base-Backbone interact. energy: -1.225 local terms energy: -687.743465 where: bonds (distance) C4'-P energy: -131.590 bonds (distance) P-C4' energy: -139.568 flat angles C4'-P-C4' energy: -149.721 flat angles P-C4'-P energy: -113.170 tors. eta vs tors. theta energy: -153.696 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: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2191.232923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.232923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.232923 (E_RNA) where: Base-Base interactions energy: -1544.160 where: short stacking energy: -636.325 Base-Backbone interact. energy: -6.198 local terms energy: -640.874486 where: bonds (distance) C4'-P energy: -133.885 bonds (distance) P-C4' energy: -127.489 flat angles C4'-P-C4' energy: -135.689 flat angles P-C4'-P energy: -101.681 tors. eta vs tors. theta energy: -142.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1939.430839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.430839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.430839 (E_RNA) where: Base-Base interactions energy: -1309.428 where: short stacking energy: -556.535 Base-Backbone interact. energy: -1.870 local terms energy: -628.133207 where: bonds (distance) C4'-P energy: -148.839 bonds (distance) P-C4' energy: -131.986 flat angles C4'-P-C4' energy: -142.995 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -121.693 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: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1855.158820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.158820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.158820 (E_RNA) where: Base-Base interactions energy: -1310.438 where: short stacking energy: -544.977 Base-Backbone interact. energy: -3.111 local terms energy: -541.609355 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -109.115 flat angles C4'-P-C4' energy: -125.243 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -124.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1142.997595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.997595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.997595 (E_RNA) where: Base-Base interactions energy: -689.662 where: short stacking energy: -345.921 Base-Backbone interact. energy: -0.640 local terms energy: -452.695637 where: bonds (distance) C4'-P energy: -117.034 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -99.610 flat angles P-C4'-P energy: -93.739 tors. eta vs tors. theta energy: -30.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3001.099765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.099765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.099765 (E_RNA) where: Base-Base interactions energy: -2128.688 where: short stacking energy: -892.758 Base-Backbone interact. energy: -2.909 local terms energy: -869.502793 where: bonds (distance) C4'-P energy: -161.724 bonds (distance) P-C4' energy: -149.485 flat angles C4'-P-C4' energy: -195.885 flat angles P-C4'-P energy: -138.647 tors. eta vs tors. theta energy: -223.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2827.178322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.178322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.178322 (E_RNA) where: Base-Base interactions energy: -1973.587 where: short stacking energy: -847.505 Base-Backbone interact. energy: -2.467 local terms energy: -851.123589 where: bonds (distance) C4'-P energy: -160.739 bonds (distance) P-C4' energy: -158.690 flat angles C4'-P-C4' energy: -183.005 flat angles P-C4'-P energy: -123.629 tors. eta vs tors. theta energy: -225.060 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: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2810.002990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.002990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.002990 (E_RNA) where: Base-Base interactions energy: -1972.686 where: short stacking energy: -854.337 Base-Backbone interact. energy: -1.454 local terms energy: -835.863851 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -150.813 flat angles C4'-P-C4' energy: -182.039 flat angles P-C4'-P energy: -115.096 tors. eta vs tors. theta energy: -234.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2663.310977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.310977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.310977 (E_RNA) where: Base-Base interactions energy: -1930.826 where: short stacking energy: -796.069 Base-Backbone interact. energy: -4.343 local terms energy: -728.141085 where: bonds (distance) C4'-P energy: -146.313 bonds (distance) P-C4' energy: -138.100 flat angles C4'-P-C4' energy: -159.836 flat angles P-C4'-P energy: -91.838 tors. eta vs tors. theta energy: -192.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2518.530576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.530576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.530576 (E_RNA) where: Base-Base interactions energy: -1814.653 where: short stacking energy: -755.961 Base-Backbone interact. energy: -2.109 local terms energy: -701.768338 where: bonds (distance) C4'-P energy: -123.584 bonds (distance) P-C4' energy: -131.794 flat angles C4'-P-C4' energy: -166.334 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -186.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2344.177582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.177582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.177582 (E_RNA) where: Base-Base interactions energy: -1650.082 where: short stacking energy: -668.872 Base-Backbone interact. energy: -0.236 local terms energy: -693.858914 where: bonds (distance) C4'-P energy: -130.588 bonds (distance) P-C4' energy: -138.958 flat angles C4'-P-C4' energy: -159.000 flat angles P-C4'-P energy: -116.504 tors. eta vs tors. theta energy: -148.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2094.930778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.930778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.930778 (E_RNA) where: Base-Base interactions energy: -1460.789 where: short stacking energy: -615.188 Base-Backbone interact. energy: -1.002 local terms energy: -633.140322 where: bonds (distance) C4'-P energy: -126.718 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -86.913 tors. eta vs tors. theta energy: -130.568 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: 3 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1969.769530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.769530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.769530 (E_RNA) where: Base-Base interactions energy: -1352.470 where: short stacking energy: -587.126 Base-Backbone interact. energy: -2.845 local terms energy: -614.453905 where: bonds (distance) C4'-P energy: -150.294 bonds (distance) P-C4' energy: -118.172 flat angles C4'-P-C4' energy: -148.907 flat angles P-C4'-P energy: -70.511 tors. eta vs tors. theta energy: -126.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1877.523360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.523360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.523360 (E_RNA) where: Base-Base interactions energy: -1307.333 where: short stacking energy: -547.302 Base-Backbone interact. energy: -2.901 local terms energy: -567.288591 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -128.757 flat angles C4'-P-C4' energy: -134.025 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -111.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1152.704970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.704970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.704970 (E_RNA) where: Base-Base interactions energy: -672.838 where: short stacking energy: -341.376 Base-Backbone interact. energy: -0.563 local terms energy: -479.303783 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -136.479 flat angles C4'-P-C4' energy: -130.038 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -25.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2985.284581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.284581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.284581 (E_RNA) where: Base-Base interactions energy: -2144.569 where: short stacking energy: -870.204 Base-Backbone interact. energy: -5.220 local terms energy: -835.495109 where: bonds (distance) C4'-P energy: -145.875 bonds (distance) P-C4' energy: -175.509 flat angles C4'-P-C4' energy: -172.749 flat angles P-C4'-P energy: -118.477 tors. eta vs tors. theta energy: -222.885 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: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2826.434116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.434116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.434116 (E_RNA) where: Base-Base interactions energy: -2016.421 where: short stacking energy: -845.946 Base-Backbone interact. energy: -2.889 local terms energy: -807.124921 where: bonds (distance) C4'-P energy: -150.333 bonds (distance) P-C4' energy: -153.119 flat angles C4'-P-C4' energy: -171.565 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -229.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2786.929337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.929337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.929337 (E_RNA) where: Base-Base interactions energy: -1973.428 where: short stacking energy: -805.826 Base-Backbone interact. energy: -3.416 local terms energy: -810.084597 where: bonds (distance) C4'-P energy: -146.648 bonds (distance) P-C4' energy: -156.469 flat angles C4'-P-C4' energy: -182.575 flat angles P-C4'-P energy: -111.401 tors. eta vs tors. theta energy: -212.992 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: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2671.779326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.779326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.779326 (E_RNA) where: Base-Base interactions energy: -1908.514 where: short stacking energy: -814.894 Base-Backbone interact. energy: 1.431 local terms energy: -764.697046 where: bonds (distance) C4'-P energy: -136.741 bonds (distance) P-C4' energy: -146.496 flat angles C4'-P-C4' energy: -155.817 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -218.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2519.723710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.723710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.723710 (E_RNA) where: Base-Base interactions energy: -1785.656 where: short stacking energy: -764.859 Base-Backbone interact. energy: -6.061 local terms energy: -728.006724 where: bonds (distance) C4'-P energy: -126.932 bonds (distance) P-C4' energy: -119.039 flat angles C4'-P-C4' energy: -176.255 flat angles P-C4'-P energy: -105.263 tors. eta vs tors. theta energy: -200.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2346.636282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.636282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.636282 (E_RNA) where: Base-Base interactions energy: -1649.054 where: short stacking energy: -719.632 Base-Backbone interact. energy: -2.884 local terms energy: -694.698703 where: bonds (distance) C4'-P energy: -132.449 bonds (distance) P-C4' energy: -135.944 flat angles C4'-P-C4' energy: -160.078 flat angles P-C4'-P energy: -95.122 tors. eta vs tors. theta energy: -171.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2114.986000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.986000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.986000 (E_RNA) where: Base-Base interactions energy: -1456.903 where: short stacking energy: -638.182 Base-Backbone interact. energy: -6.165 local terms energy: -651.917579 where: bonds (distance) C4'-P energy: -120.342 bonds (distance) P-C4' energy: -136.598 flat angles C4'-P-C4' energy: -142.100 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -160.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2051.147924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.147924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.147924 (E_RNA) where: Base-Base interactions energy: -1393.121 where: short stacking energy: -626.617 Base-Backbone interact. energy: 3.404 local terms energy: -661.431027 where: bonds (distance) C4'-P energy: -155.481 bonds (distance) P-C4' energy: -142.587 flat angles C4'-P-C4' energy: -127.250 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -145.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1861.227675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.227675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.227675 (E_RNA) where: Base-Base interactions energy: -1292.209 where: short stacking energy: -559.546 Base-Backbone interact. energy: 1.606 local terms energy: -570.624357 where: bonds (distance) C4'-P energy: -136.043 bonds (distance) P-C4' energy: -119.314 flat angles C4'-P-C4' energy: -127.422 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -110.788 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: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1149.200286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.200286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.200286 (E_RNA) where: Base-Base interactions energy: -678.420 where: short stacking energy: -324.836 Base-Backbone interact. energy: -0.070 local terms energy: -470.710329 where: bonds (distance) C4'-P energy: -132.515 bonds (distance) P-C4' energy: -125.775 flat angles C4'-P-C4' energy: -127.637 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -16.652 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: 2 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2975.330915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.330915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.330915 (E_RNA) where: Base-Base interactions energy: -2110.981 where: short stacking energy: -863.983 Base-Backbone interact. energy: -3.073 local terms energy: -861.277218 where: bonds (distance) C4'-P energy: -163.459 bonds (distance) P-C4' energy: -159.824 flat angles C4'-P-C4' energy: -186.036 flat angles P-C4'-P energy: -126.195 tors. eta vs tors. theta energy: -225.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2801.494396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.494396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.494396 (E_RNA) where: Base-Base interactions energy: -1957.682 where: short stacking energy: -846.824 Base-Backbone interact. energy: -3.783 local terms energy: -840.029097 where: bonds (distance) C4'-P energy: -159.786 bonds (distance) P-C4' energy: -152.423 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -113.807 tors. eta vs tors. theta energy: -233.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2780.415579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.415579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.415579 (E_RNA) where: Base-Base interactions energy: -1981.378 where: short stacking energy: -833.662 Base-Backbone interact. energy: -4.607 local terms energy: -794.430694 where: bonds (distance) C4'-P energy: -139.577 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -172.838 flat angles P-C4'-P energy: -112.093 tors. eta vs tors. theta energy: -210.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2673.749559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.749559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.749559 (E_RNA) where: Base-Base interactions energy: -1945.414 where: short stacking energy: -797.500 Base-Backbone interact. energy: -2.908 local terms energy: -725.427182 where: bonds (distance) C4'-P energy: -120.381 bonds (distance) P-C4' energy: -130.418 flat angles C4'-P-C4' energy: -164.268 flat angles P-C4'-P energy: -107.175 tors. eta vs tors. theta energy: -203.184 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: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2488.795705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.795705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.795705 (E_RNA) where: Base-Base interactions energy: -1752.206 where: short stacking energy: -746.611 Base-Backbone interact. energy: -0.935 local terms energy: -735.654473 where: bonds (distance) C4'-P energy: -131.354 bonds (distance) P-C4' energy: -146.866 flat angles C4'-P-C4' energy: -176.231 flat angles P-C4'-P energy: -109.391 tors. eta vs tors. theta energy: -171.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2348.103106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.103106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.103106 (E_RNA) where: Base-Base interactions energy: -1660.441 where: short stacking energy: -701.059 Base-Backbone interact. energy: 4.246 local terms energy: -691.907947 where: bonds (distance) C4'-P energy: -129.471 bonds (distance) P-C4' energy: -147.650 flat angles C4'-P-C4' energy: -141.627 flat angles P-C4'-P energy: -103.351 tors. eta vs tors. theta energy: -169.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2223.216379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.216379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.216379 (E_RNA) where: Base-Base interactions energy: -1548.820 where: short stacking energy: -663.011 Base-Backbone interact. energy: -2.921 local terms energy: -671.474794 where: bonds (distance) C4'-P energy: -133.882 bonds (distance) P-C4' energy: -141.715 flat angles C4'-P-C4' energy: -149.688 flat angles P-C4'-P energy: -90.589 tors. eta vs tors. theta energy: -155.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2071.186080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.186080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.186080 (E_RNA) where: Base-Base interactions energy: -1384.195 where: short stacking energy: -611.351 Base-Backbone interact. energy: -1.245 local terms energy: -685.745928 where: bonds (distance) C4'-P energy: -134.364 bonds (distance) P-C4' energy: -131.777 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -102.275 tors. eta vs tors. theta energy: -166.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1939.759262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.759262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.759262 (E_RNA) where: Base-Base interactions energy: -1333.738 where: short stacking energy: -555.739 Base-Backbone interact. energy: -2.155 local terms energy: -603.866401 where: bonds (distance) C4'-P energy: -137.520 bonds (distance) P-C4' energy: -116.666 flat angles C4'-P-C4' energy: -150.704 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -123.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1249.842628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.842628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.842628 (E_RNA) where: Base-Base interactions energy: -798.442 where: short stacking energy: -367.670 Base-Backbone interact. energy: -2.724 local terms energy: -448.676759 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -134.991 flat angles C4'-P-C4' energy: -131.427 flat angles P-C4'-P energy: -48.344 tors. eta vs tors. theta energy: -37.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2989.941470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.941470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.941470 (E_RNA) where: Base-Base interactions energy: -2138.645 where: short stacking energy: -898.046 Base-Backbone interact. energy: -1.001 local terms energy: -850.295348 where: bonds (distance) C4'-P energy: -150.891 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -182.088 flat angles P-C4'-P energy: -138.688 tors. eta vs tors. theta energy: -236.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2839.045730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.045730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.045730 (E_RNA) where: Base-Base interactions energy: -1995.595 where: short stacking energy: -850.594 Base-Backbone interact. energy: -4.189 local terms energy: -839.262166 where: bonds (distance) C4'-P energy: -144.813 bonds (distance) P-C4' energy: -163.590 flat angles C4'-P-C4' energy: -180.510 flat angles P-C4'-P energy: -111.883 tors. eta vs tors. theta energy: -238.466 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: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2760.794420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.794420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.794420 (E_RNA) where: Base-Base interactions energy: -1933.284 where: short stacking energy: -818.694 Base-Backbone interact. energy: -3.588 local terms energy: -823.922978 where: bonds (distance) C4'-P energy: -153.703 bonds (distance) P-C4' energy: -149.806 flat angles C4'-P-C4' energy: -180.525 flat angles P-C4'-P energy: -123.564 tors. eta vs tors. theta energy: -216.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2691.899639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.899639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.899639 (E_RNA) where: Base-Base interactions energy: -1921.693 where: short stacking energy: -787.450 Base-Backbone interact. energy: -1.196 local terms energy: -769.010494 where: bonds (distance) C4'-P energy: -134.856 bonds (distance) P-C4' energy: -143.201 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -114.570 tors. eta vs tors. theta energy: -209.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2535.452211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.452211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.452211 (E_RNA) where: Base-Base interactions energy: -1812.449 where: short stacking energy: -747.285 Base-Backbone interact. energy: -4.673 local terms energy: -718.329818 where: bonds (distance) C4'-P energy: -130.590 bonds (distance) P-C4' energy: -152.314 flat angles C4'-P-C4' energy: -163.755 flat angles P-C4'-P energy: -97.759 tors. eta vs tors. theta energy: -173.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2337.818099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.818099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.818099 (E_RNA) where: Base-Base interactions energy: -1629.933 where: short stacking energy: -686.209 Base-Backbone interact. energy: -5.283 local terms energy: -702.601312 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -149.368 flat angles C4'-P-C4' energy: -155.664 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -162.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2202.709180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.709180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.709180 (E_RNA) where: Base-Base interactions energy: -1572.654 where: short stacking energy: -666.199 Base-Backbone interact. energy: -1.165 local terms energy: -628.890377 where: bonds (distance) C4'-P energy: -112.743 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -136.361 flat angles P-C4'-P energy: -102.888 tors. eta vs tors. theta energy: -158.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2066.759831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.759831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.759831 (E_RNA) where: Base-Base interactions energy: -1453.789 where: short stacking energy: -623.302 Base-Backbone interact. energy: -1.890 local terms energy: -611.080914 where: bonds (distance) C4'-P energy: -128.172 bonds (distance) P-C4' energy: -111.885 flat angles C4'-P-C4' energy: -134.648 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -151.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1977.655594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.655594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.655594 (E_RNA) where: Base-Base interactions energy: -1415.856 where: short stacking energy: -597.492 Base-Backbone interact. energy: 0.163 local terms energy: -561.963083 where: bonds (distance) C4'-P energy: -127.678 bonds (distance) P-C4' energy: -114.200 flat angles C4'-P-C4' energy: -116.609 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: -117.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1395.415826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.415826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.415826 (E_RNA) where: Base-Base interactions energy: -883.305 where: short stacking energy: -467.962 Base-Backbone interact. energy: -4.740 local terms energy: -507.370470 where: bonds (distance) C4'-P energy: -143.559 bonds (distance) P-C4' energy: -108.460 flat angles C4'-P-C4' energy: -121.852 flat angles P-C4'-P energy: -77.438 tors. eta vs tors. theta energy: -56.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2987.047151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.047151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.047151 (E_RNA) where: Base-Base interactions energy: -2125.173 where: short stacking energy: -878.479 Base-Backbone interact. energy: -2.619 local terms energy: -859.255415 where: bonds (distance) C4'-P energy: -158.220 bonds (distance) P-C4' energy: -162.258 flat angles C4'-P-C4' energy: -186.166 flat angles P-C4'-P energy: -117.105 tors. eta vs tors. theta energy: -235.506 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: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2837.733307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.733307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.733307 (E_RNA) where: Base-Base interactions energy: -2008.156 where: short stacking energy: -868.579 Base-Backbone interact. energy: -1.728 local terms energy: -827.849824 where: bonds (distance) C4'-P energy: -162.619 bonds (distance) P-C4' energy: -153.179 flat angles C4'-P-C4' energy: -166.355 flat angles P-C4'-P energy: -111.058 tors. eta vs tors. theta energy: -234.638 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: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2759.753858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.753858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.753858 (E_RNA) where: Base-Base interactions energy: -1941.332 where: short stacking energy: -808.966 Base-Backbone interact. energy: -5.043 local terms energy: -813.379292 where: bonds (distance) C4'-P energy: -142.680 bonds (distance) P-C4' energy: -149.185 flat angles C4'-P-C4' energy: -181.433 flat angles P-C4'-P energy: -116.672 tors. eta vs tors. theta energy: -223.410 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: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2695.546311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.546311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.546311 (E_RNA) where: Base-Base interactions energy: -1912.800 where: short stacking energy: -807.858 Base-Backbone interact. energy: 0.474 local terms energy: -783.219739 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -160.663 flat angles C4'-P-C4' energy: -168.707 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -218.908 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: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2495.422531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.422531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.422531 (E_RNA) where: Base-Base interactions energy: -1765.738 where: short stacking energy: -694.195 Base-Backbone interact. energy: -1.796 local terms energy: -727.888482 where: bonds (distance) C4'-P energy: -138.756 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -114.266 tors. eta vs tors. theta energy: -170.434 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2305.690676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.690676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.690676 (E_RNA) where: Base-Base interactions energy: -1624.163 where: short stacking energy: -692.398 Base-Backbone interact. energy: 0.505 local terms energy: -682.032622 where: bonds (distance) C4'-P energy: -123.791 bonds (distance) P-C4' energy: -135.726 flat angles C4'-P-C4' energy: -149.518 flat angles P-C4'-P energy: -114.570 tors. eta vs tors. theta energy: -158.428 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: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2170.380960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.380960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.380960 (E_RNA) where: Base-Base interactions energy: -1499.136 where: short stacking energy: -637.419 Base-Backbone interact. energy: -1.170 local terms energy: -670.074539 where: bonds (distance) C4'-P energy: -135.754 bonds (distance) P-C4' energy: -125.614 flat angles C4'-P-C4' energy: -167.601 flat angles P-C4'-P energy: -83.652 tors. eta vs tors. theta energy: -157.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2066.482458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.482458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.482458 (E_RNA) where: Base-Base interactions energy: -1463.415 where: short stacking energy: -643.277 Base-Backbone interact. energy: -0.460 local terms energy: -602.608249 where: bonds (distance) C4'-P energy: -117.784 bonds (distance) P-C4' energy: -115.038 flat angles C4'-P-C4' energy: -136.802 flat angles P-C4'-P energy: -76.308 tors. eta vs tors. theta energy: -156.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1978.579095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.579095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.579095 (E_RNA) where: Base-Base interactions energy: -1366.491 where: short stacking energy: -574.578 Base-Backbone interact. energy: -3.162 local terms energy: -608.926296 where: bonds (distance) C4'-P energy: -139.845 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -161.817 flat angles P-C4'-P energy: -86.081 tors. eta vs tors. theta energy: -128.579 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: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1348.265891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.265891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.265891 (E_RNA) where: Base-Base interactions energy: -829.961 where: short stacking energy: -369.032 Base-Backbone interact. energy: -1.791 local terms energy: -516.513201 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -150.190 flat angles C4'-P-C4' energy: -125.837 flat angles P-C4'-P energy: -59.274 tors. eta vs tors. theta energy: -52.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2990.182571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.182571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.182571 (E_RNA) where: Base-Base interactions energy: -2138.823 where: short stacking energy: -860.340 Base-Backbone interact. energy: -2.798 local terms energy: -848.561830 where: bonds (distance) C4'-P energy: -160.528 bonds (distance) P-C4' energy: -138.177 flat angles C4'-P-C4' energy: -182.794 flat angles P-C4'-P energy: -134.807 tors. eta vs tors. theta energy: -232.256 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: 162 Temperature: 0.950000 Total energy: -2834.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.783392 (E_RNA) where: Base-Base interactions energy: -2024.254 where: short stacking energy: -873.110 Base-Backbone interact. energy: -4.711 local terms energy: -805.819015 where: bonds (distance) C4'-P energy: -125.181 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -179.826 flat angles P-C4'-P energy: -129.390 tors. eta vs tors. theta energy: -229.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2749.448871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.448871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.448871 (E_RNA) where: Base-Base interactions energy: -1948.225 where: short stacking energy: -794.905 Base-Backbone interact. energy: 0.948 local terms energy: -802.171503 where: bonds (distance) C4'-P energy: -164.000 bonds (distance) P-C4' energy: -159.870 flat angles C4'-P-C4' energy: -168.045 flat angles P-C4'-P energy: -105.168 tors. eta vs tors. theta energy: -205.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2682.789146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.789146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.789146 (E_RNA) where: Base-Base interactions energy: -1892.440 where: short stacking energy: -827.809 Base-Backbone interact. energy: -2.919 local terms energy: -787.430572 where: bonds (distance) C4'-P energy: -151.798 bonds (distance) P-C4' energy: -124.760 flat angles C4'-P-C4' energy: -162.700 flat angles P-C4'-P energy: -120.111 tors. eta vs tors. theta energy: -228.062 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: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2528.802464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.802464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.802464 (E_RNA) where: Base-Base interactions energy: -1792.316 where: short stacking energy: -736.121 Base-Backbone interact. energy: -2.525 local terms energy: -733.961435 where: bonds (distance) C4'-P energy: -144.869 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -164.664 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -196.772 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: 162 Temperature: 1.150000 Total energy: -2262.076878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.076878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.076878 (E_RNA) where: Base-Base interactions energy: -1628.615 where: short stacking energy: -666.778 Base-Backbone interact. energy: 0.267 local terms energy: -633.728434 where: bonds (distance) C4'-P energy: -131.216 bonds (distance) P-C4' energy: -137.995 flat angles C4'-P-C4' energy: -133.303 flat angles P-C4'-P energy: -83.750 tors. eta vs tors. theta energy: -147.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2171.331151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.331151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.331151 (E_RNA) where: Base-Base interactions energy: -1478.964 where: short stacking energy: -650.182 Base-Backbone interact. energy: -0.894 local terms energy: -691.473696 where: bonds (distance) C4'-P energy: -133.750 bonds (distance) P-C4' energy: -141.774 flat angles C4'-P-C4' energy: -164.220 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -156.502 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: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2070.363842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.363842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.363842 (E_RNA) where: Base-Base interactions energy: -1422.420 where: short stacking energy: -644.317 Base-Backbone interact. energy: 0.732 local terms energy: -648.675557 where: bonds (distance) C4'-P energy: -134.425 bonds (distance) P-C4' energy: -135.415 flat angles C4'-P-C4' energy: -131.104 flat angles P-C4'-P energy: -99.498 tors. eta vs tors. theta energy: -148.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1933.647753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.647753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.647753 (E_RNA) where: Base-Base interactions energy: -1352.317 where: short stacking energy: -600.996 Base-Backbone interact. energy: 5.031 local terms energy: -586.362602 where: bonds (distance) C4'-P energy: -122.937 bonds (distance) P-C4' energy: -133.497 flat angles C4'-P-C4' energy: -134.880 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -124.565 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: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1345.970217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.970217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.970217 (E_RNA) where: Base-Base interactions energy: -871.642 where: short stacking energy: -417.478 Base-Backbone interact. energy: 1.321 local terms energy: -475.648944 where: bonds (distance) C4'-P energy: -115.526 bonds (distance) P-C4' energy: -134.662 flat angles C4'-P-C4' energy: -125.263 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -51.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2988.942397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.942397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.942397 (E_RNA) where: Base-Base interactions energy: -2115.553 where: short stacking energy: -859.754 Base-Backbone interact. energy: -6.691 local terms energy: -866.698108 where: bonds (distance) C4'-P energy: -171.659 bonds (distance) P-C4' energy: -150.653 flat angles C4'-P-C4' energy: -172.287 flat angles P-C4'-P energy: -141.134 tors. eta vs tors. theta energy: -230.966 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: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2826.884129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.884129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.884129 (E_RNA) where: Base-Base interactions energy: -1992.470 where: short stacking energy: -874.981 Base-Backbone interact. energy: -3.518 local terms energy: -830.895706 where: bonds (distance) C4'-P energy: -146.731 bonds (distance) P-C4' energy: -156.603 flat angles C4'-P-C4' energy: -184.390 flat angles P-C4'-P energy: -113.116 tors. eta vs tors. theta energy: -230.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2753.610924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.610924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.610924 (E_RNA) where: Base-Base interactions energy: -1945.302 where: short stacking energy: -781.071 Base-Backbone interact. energy: -2.171 local terms energy: -806.138277 where: bonds (distance) C4'-P energy: -161.335 bonds (distance) P-C4' energy: -146.262 flat angles C4'-P-C4' energy: -184.123 flat angles P-C4'-P energy: -114.003 tors. eta vs tors. theta energy: -200.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2678.312259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.312259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.312259 (E_RNA) where: Base-Base interactions energy: -1913.981 where: short stacking energy: -820.988 Base-Backbone interact. energy: -2.596 local terms energy: -761.735437 where: bonds (distance) C4'-P energy: -120.296 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -169.811 flat angles P-C4'-P energy: -106.293 tors. eta vs tors. theta energy: -216.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2553.031242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.031242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.031242 (E_RNA) where: Base-Base interactions energy: -1812.715 where: short stacking energy: -748.654 Base-Backbone interact. energy: -1.690 local terms energy: -738.626115 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -142.348 flat angles C4'-P-C4' energy: -173.807 flat angles P-C4'-P energy: -106.431 tors. eta vs tors. theta energy: -181.579 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: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2278.656510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.656510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.656510 (E_RNA) where: Base-Base interactions energy: -1615.552 where: short stacking energy: -675.623 Base-Backbone interact. energy: 0.426 local terms energy: -663.530720 where: bonds (distance) C4'-P energy: -140.049 bonds (distance) P-C4' energy: -140.456 flat angles C4'-P-C4' energy: -148.089 flat angles P-C4'-P energy: -86.432 tors. eta vs tors. theta energy: -148.503 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: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2079.481145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.481145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.481145 (E_RNA) where: Base-Base interactions energy: -1426.270 where: short stacking energy: -617.428 Base-Backbone interact. energy: -3.215 local terms energy: -649.996492 where: bonds (distance) C4'-P energy: -126.561 bonds (distance) P-C4' energy: -138.351 flat angles C4'-P-C4' energy: -159.943 flat angles P-C4'-P energy: -78.638 tors. eta vs tors. theta energy: -146.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2072.100328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.100328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.100328 (E_RNA) where: Base-Base interactions energy: -1434.542 where: short stacking energy: -600.022 Base-Backbone interact. energy: 1.142 local terms energy: -638.700881 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -122.901 flat angles C4'-P-C4' energy: -146.016 flat angles P-C4'-P energy: -90.949 tors. eta vs tors. theta energy: -167.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1885.161699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.161699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.161699 (E_RNA) where: Base-Base interactions energy: -1315.342 where: short stacking energy: -544.835 Base-Backbone interact. energy: 1.983 local terms energy: -571.802723 where: bonds (distance) C4'-P energy: -97.412 bonds (distance) P-C4' energy: -142.226 flat angles C4'-P-C4' energy: -127.949 flat angles P-C4'-P energy: -79.387 tors. eta vs tors. theta energy: -124.829 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: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1413.668258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.668258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.668258 (E_RNA) where: Base-Base interactions energy: -907.452 where: short stacking energy: -429.445 Base-Backbone interact. energy: -1.228 local terms energy: -504.987810 where: bonds (distance) C4'-P energy: -111.867 bonds (distance) P-C4' energy: -131.578 flat angles C4'-P-C4' energy: -128.543 flat angles P-C4'-P energy: -62.880 tors. eta vs tors. theta energy: -70.120 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: 2 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3010.719478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.719478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.719478 (E_RNA) where: Base-Base interactions energy: -2140.484 where: short stacking energy: -892.580 Base-Backbone interact. energy: -6.744 local terms energy: -863.491676 where: bonds (distance) C4'-P energy: -153.045 bonds (distance) P-C4' energy: -157.188 flat angles C4'-P-C4' energy: -184.947 flat angles P-C4'-P energy: -128.241 tors. eta vs tors. theta energy: -240.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2841.514976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.514976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.514976 (E_RNA) where: Base-Base interactions energy: -2015.170 where: short stacking energy: -854.245 Base-Backbone interact. energy: 0.902 local terms energy: -827.246938 where: bonds (distance) C4'-P energy: -150.507 bonds (distance) P-C4' energy: -156.074 flat angles C4'-P-C4' energy: -181.669 flat angles P-C4'-P energy: -110.203 tors. eta vs tors. theta energy: -228.794 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: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2769.189984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.189984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.189984 (E_RNA) where: Base-Base interactions energy: -1948.568 where: short stacking energy: -828.167 Base-Backbone interact. energy: -5.829 local terms energy: -814.793500 where: bonds (distance) C4'-P energy: -155.602 bonds (distance) P-C4' energy: -161.160 flat angles C4'-P-C4' energy: -173.378 flat angles P-C4'-P energy: -103.633 tors. eta vs tors. theta energy: -221.020 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: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2671.892629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.892629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.892629 (E_RNA) where: Base-Base interactions energy: -1893.995 where: short stacking energy: -804.593 Base-Backbone interact. energy: -1.127 local terms energy: -776.771030 where: bonds (distance) C4'-P energy: -141.733 bonds (distance) P-C4' energy: -148.354 flat angles C4'-P-C4' energy: -172.785 flat angles P-C4'-P energy: -106.753 tors. eta vs tors. theta energy: -207.146 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2551.699774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.699774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.699774 (E_RNA) where: Base-Base interactions energy: -1845.880 where: short stacking energy: -789.458 Base-Backbone interact. energy: -3.870 local terms energy: -701.949542 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -147.180 flat angles C4'-P-C4' energy: -173.043 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: -190.078 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: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2266.123197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.123197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.123197 (E_RNA) where: Base-Base interactions energy: -1585.396 where: short stacking energy: -673.842 Base-Backbone interact. energy: -3.242 local terms energy: -677.484393 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -134.359 flat angles C4'-P-C4' energy: -142.972 flat angles P-C4'-P energy: -102.899 tors. eta vs tors. theta energy: -165.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2119.722423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.722423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.722423 (E_RNA) where: Base-Base interactions energy: -1433.813 where: short stacking energy: -633.018 Base-Backbone interact. energy: -2.829 local terms energy: -683.080739 where: bonds (distance) C4'-P energy: -130.038 bonds (distance) P-C4' energy: -148.611 flat angles C4'-P-C4' energy: -166.059 flat angles P-C4'-P energy: -96.171 tors. eta vs tors. theta energy: -142.202 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: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -2076.078354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.078354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.078354 (E_RNA) where: Base-Base interactions energy: -1414.900 where: short stacking energy: -606.809 Base-Backbone interact. energy: 0.825 local terms energy: -662.002626 where: bonds (distance) C4'-P energy: -127.094 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -156.854 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -163.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1885.217819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.217819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.217819 (E_RNA) where: Base-Base interactions energy: -1293.986 where: short stacking energy: -584.586 Base-Backbone interact. energy: -2.128 local terms energy: -589.103373 where: bonds (distance) C4'-P energy: -105.989 bonds (distance) P-C4' energy: -119.597 flat angles C4'-P-C4' energy: -150.837 flat angles P-C4'-P energy: -79.719 tors. eta vs tors. theta energy: -132.962 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: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1400.682539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.682539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.682539 (E_RNA) where: Base-Base interactions energy: -893.017 where: short stacking energy: -418.292 Base-Backbone interact. energy: 6.191 local terms energy: -513.856507 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -136.403 flat angles C4'-P-C4' energy: -118.235 flat angles P-C4'-P energy: -69.002 tors. eta vs tors. theta energy: -65.551 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: 2 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2985.602159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.602159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.602159 (E_RNA) where: Base-Base interactions energy: -2147.380 where: short stacking energy: -889.559 Base-Backbone interact. energy: -0.585 local terms energy: -837.636955 where: bonds (distance) C4'-P energy: -138.790 bonds (distance) P-C4' energy: -158.350 flat angles C4'-P-C4' energy: -186.699 flat angles P-C4'-P energy: -120.908 tors. eta vs tors. theta energy: -232.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2839.670287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.670287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.670287 (E_RNA) where: Base-Base interactions energy: -2033.453 where: short stacking energy: -872.103 Base-Backbone interact. energy: -2.822 local terms energy: -803.394550 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -157.995 flat angles C4'-P-C4' energy: -170.589 flat angles P-C4'-P energy: -110.109 tors. eta vs tors. theta energy: -229.001 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: 165 Temperature: 1.000000 Total energy: -2743.239779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.239779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.239779 (E_RNA) where: Base-Base interactions energy: -1923.750 where: short stacking energy: -777.982 Base-Backbone interact. energy: -4.217 local terms energy: -815.272887 where: bonds (distance) C4'-P energy: -145.404 bonds (distance) P-C4' energy: -154.337 flat angles C4'-P-C4' energy: -177.580 flat angles P-C4'-P energy: -121.279 tors. eta vs tors. theta energy: -216.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2691.663371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.663371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.663371 (E_RNA) where: Base-Base interactions energy: -1940.051 where: short stacking energy: -787.324 Base-Backbone interact. energy: -1.346 local terms energy: -750.265613 where: bonds (distance) C4'-P energy: -122.920 bonds (distance) P-C4' energy: -139.957 flat angles C4'-P-C4' energy: -172.043 flat angles P-C4'-P energy: -120.884 tors. eta vs tors. theta energy: -194.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2557.464394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.464394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.464394 (E_RNA) where: Base-Base interactions energy: -1833.177 where: short stacking energy: -748.484 Base-Backbone interact. energy: 0.008 local terms energy: -724.295761 where: bonds (distance) C4'-P energy: -138.160 bonds (distance) P-C4' energy: -139.827 flat angles C4'-P-C4' energy: -161.167 flat angles P-C4'-P energy: -104.678 tors. eta vs tors. theta energy: -180.464 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: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2270.735074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.735074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.735074 (E_RNA) where: Base-Base interactions energy: -1578.698 where: short stacking energy: -650.832 Base-Backbone interact. energy: 0.474 local terms energy: -692.511398 where: bonds (distance) C4'-P energy: -143.988 bonds (distance) P-C4' energy: -154.603 flat angles C4'-P-C4' energy: -151.787 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -138.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2143.601486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.601486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.601486 (E_RNA) where: Base-Base interactions energy: -1494.319 where: short stacking energy: -650.291 Base-Backbone interact. energy: -1.647 local terms energy: -647.635664 where: bonds (distance) C4'-P energy: -137.434 bonds (distance) P-C4' energy: -132.677 flat angles C4'-P-C4' energy: -132.292 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -153.413 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: 3 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2052.038926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.038926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.038926 (E_RNA) where: Base-Base interactions energy: -1436.207 where: short stacking energy: -604.822 Base-Backbone interact. energy: 0.376 local terms energy: -616.207947 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -119.139 flat angles C4'-P-C4' energy: -149.973 flat angles P-C4'-P energy: -85.021 tors. eta vs tors. theta energy: -132.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1949.624712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.624712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.624712 (E_RNA) where: Base-Base interactions energy: -1330.559 where: short stacking energy: -573.272 Base-Backbone interact. energy: -4.482 local terms energy: -614.583999 where: bonds (distance) C4'-P energy: -111.021 bonds (distance) P-C4' energy: -124.251 flat angles C4'-P-C4' energy: -147.824 flat angles P-C4'-P energy: -103.734 tors. eta vs tors. theta energy: -127.754 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: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1364.132532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.132532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.132532 (E_RNA) where: Base-Base interactions energy: -852.402 where: short stacking energy: -378.965 Base-Backbone interact. energy: 0.470 local terms energy: -512.200357 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -145.336 flat angles C4'-P-C4' energy: -118.385 flat angles P-C4'-P energy: -81.743 tors. eta vs tors. theta energy: -44.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2996.262214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.262214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.262214 (E_RNA) where: Base-Base interactions energy: -2136.370 where: short stacking energy: -877.677 Base-Backbone interact. energy: -1.912 local terms energy: -857.980248 where: bonds (distance) C4'-P energy: -154.975 bonds (distance) P-C4' energy: -165.259 flat angles C4'-P-C4' energy: -193.070 flat angles P-C4'-P energy: -125.055 tors. eta vs tors. theta energy: -219.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2817.536396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.536396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.536396 (E_RNA) where: Base-Base interactions energy: -1997.654 where: short stacking energy: -854.442 Base-Backbone interact. energy: -3.435 local terms energy: -816.446705 where: bonds (distance) C4'-P energy: -135.458 bonds (distance) P-C4' energy: -162.031 flat angles C4'-P-C4' energy: -177.635 flat angles P-C4'-P energy: -118.839 tors. eta vs tors. theta energy: -222.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2803.207702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.207702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.207702 (E_RNA) where: Base-Base interactions energy: -2006.804 where: short stacking energy: -863.763 Base-Backbone interact. energy: -3.920 local terms energy: -792.483743 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -133.135 flat angles C4'-P-C4' energy: -175.736 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -231.674 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: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2671.639574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.639574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.639574 (E_RNA) where: Base-Base interactions energy: -1910.666 where: short stacking energy: -770.418 Base-Backbone interact. energy: -3.703 local terms energy: -757.270454 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -142.612 flat angles C4'-P-C4' energy: -183.093 flat angles P-C4'-P energy: -95.413 tors. eta vs tors. theta energy: -190.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2555.996289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.996289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.996289 (E_RNA) where: Base-Base interactions energy: -1826.542 where: short stacking energy: -739.287 Base-Backbone interact. energy: 1.695 local terms energy: -731.149416 where: bonds (distance) C4'-P energy: -142.106 bonds (distance) P-C4' energy: -124.098 flat angles C4'-P-C4' energy: -164.157 flat angles P-C4'-P energy: -101.803 tors. eta vs tors. theta energy: -198.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2276.255683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.255683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.255683 (E_RNA) where: Base-Base interactions energy: -1627.471 where: short stacking energy: -674.189 Base-Backbone interact. energy: 6.404 local terms energy: -655.187977 where: bonds (distance) C4'-P energy: -127.212 bonds (distance) P-C4' energy: -133.418 flat angles C4'-P-C4' energy: -145.178 flat angles P-C4'-P energy: -91.699 tors. eta vs tors. theta energy: -157.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2167.166492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.166492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.166492 (E_RNA) where: Base-Base interactions energy: -1539.047 where: short stacking energy: -649.389 Base-Backbone interact. energy: -1.935 local terms energy: -626.183764 where: bonds (distance) C4'-P energy: -117.610 bonds (distance) P-C4' energy: -122.979 flat angles C4'-P-C4' energy: -136.551 flat angles P-C4'-P energy: -103.067 tors. eta vs tors. theta energy: -145.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -2065.434947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.434947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.434947 (E_RNA) where: Base-Base interactions energy: -1454.161 where: short stacking energy: -656.723 Base-Backbone interact. energy: 2.456 local terms energy: -613.729257 where: bonds (distance) C4'-P energy: -109.270 bonds (distance) P-C4' energy: -124.417 flat angles C4'-P-C4' energy: -149.121 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: -154.562 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1956.226972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.226972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.226972 (E_RNA) where: Base-Base interactions energy: -1302.257 where: short stacking energy: -581.273 Base-Backbone interact. energy: -4.298 local terms energy: -649.671985 where: bonds (distance) C4'-P energy: -148.441 bonds (distance) P-C4' energy: -123.311 flat angles C4'-P-C4' energy: -137.564 flat angles P-C4'-P energy: -102.323 tors. eta vs tors. theta energy: -138.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1303.583481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.583481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.583481 (E_RNA) where: Base-Base interactions energy: -837.827 where: short stacking energy: -389.228 Base-Backbone interact. energy: 4.060 local terms energy: -469.816806 where: bonds (distance) C4'-P energy: -119.529 bonds (distance) P-C4' energy: -126.790 flat angles C4'-P-C4' energy: -108.940 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: -37.101 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: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2985.028872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.028872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.028872 (E_RNA) where: Base-Base interactions energy: -2137.969 where: short stacking energy: -885.214 Base-Backbone interact. energy: -0.269 local terms energy: -846.790510 where: bonds (distance) C4'-P energy: -163.539 bonds (distance) P-C4' energy: -143.417 flat angles C4'-P-C4' energy: -184.088 flat angles P-C4'-P energy: -131.619 tors. eta vs tors. theta energy: -224.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2836.426078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.426078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.426078 (E_RNA) where: Base-Base interactions energy: -1986.650 where: short stacking energy: -844.324 Base-Backbone interact. energy: -4.310 local terms energy: -845.465845 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -155.097 flat angles C4'-P-C4' energy: -180.099 flat angles P-C4'-P energy: -126.601 tors. eta vs tors. theta energy: -228.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2764.011279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.011279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.011279 (E_RNA) where: Base-Base interactions energy: -1959.977 where: short stacking energy: -842.628 Base-Backbone interact. energy: -4.976 local terms energy: -799.058538 where: bonds (distance) C4'-P energy: -140.095 bonds (distance) P-C4' energy: -153.939 flat angles C4'-P-C4' energy: -174.635 flat angles P-C4'-P energy: -105.366 tors. eta vs tors. theta energy: -225.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2657.488210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.488210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.488210 (E_RNA) where: Base-Base interactions energy: -1871.772 where: short stacking energy: -751.278 Base-Backbone interact. energy: -3.354 local terms energy: -782.361942 where: bonds (distance) C4'-P energy: -150.473 bonds (distance) P-C4' energy: -160.923 flat angles C4'-P-C4' energy: -171.838 flat angles P-C4'-P energy: -103.873 tors. eta vs tors. theta energy: -195.255 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: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2563.626612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.626612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.626612 (E_RNA) where: Base-Base interactions energy: -1808.652 where: short stacking energy: -746.918 Base-Backbone interact. energy: -6.143 local terms energy: -748.831446 where: bonds (distance) C4'-P energy: -133.465 bonds (distance) P-C4' energy: -159.552 flat angles C4'-P-C4' energy: -159.244 flat angles P-C4'-P energy: -109.672 tors. eta vs tors. theta energy: -186.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2328.815354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.815354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.815354 (E_RNA) where: Base-Base interactions energy: -1643.945 where: short stacking energy: -675.199 Base-Backbone interact. energy: -2.640 local terms energy: -682.230481 where: bonds (distance) C4'-P energy: -148.573 bonds (distance) P-C4' energy: -122.835 flat angles C4'-P-C4' energy: -153.537 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -165.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2193.503430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.503430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.503430 (E_RNA) where: Base-Base interactions energy: -1514.970 where: short stacking energy: -664.376 Base-Backbone interact. energy: -2.719 local terms energy: -675.814329 where: bonds (distance) C4'-P energy: -111.728 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -151.455 flat angles P-C4'-P energy: -103.371 tors. eta vs tors. theta energy: -177.327 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: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -2015.677663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.677663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.677663 (E_RNA) where: Base-Base interactions energy: -1362.622 where: short stacking energy: -598.160 Base-Backbone interact. energy: -0.299 local terms energy: -652.756934 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -126.959 flat angles C4'-P-C4' energy: -159.648 flat angles P-C4'-P energy: -92.897 tors. eta vs tors. theta energy: -146.890 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: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1946.427239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.427239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.427239 (E_RNA) where: Base-Base interactions energy: -1340.889 where: short stacking energy: -569.355 Base-Backbone interact. energy: -3.101 local terms energy: -602.437191 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -133.460 flat angles C4'-P-C4' energy: -130.899 flat angles P-C4'-P energy: -76.182 tors. eta vs tors. theta energy: -128.936 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: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1254.935680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.935680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.935680 (E_RNA) where: Base-Base interactions energy: -776.914 where: short stacking energy: -392.779 Base-Backbone interact. energy: 4.088 local terms energy: -482.109564 where: bonds (distance) C4'-P energy: -110.865 bonds (distance) P-C4' energy: -140.677 flat angles C4'-P-C4' energy: -121.367 flat angles P-C4'-P energy: -70.829 tors. eta vs tors. theta energy: -38.372 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: 2 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3002.534278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.534278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.534278 (E_RNA) where: Base-Base interactions energy: -2180.524 where: short stacking energy: -884.072 Base-Backbone interact. energy: -3.099 local terms energy: -818.911329 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -162.324 flat angles C4'-P-C4' energy: -178.487 flat angles P-C4'-P energy: -121.550 tors. eta vs tors. theta energy: -218.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2849.062161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.062161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.062161 (E_RNA) where: Base-Base interactions energy: -2017.647 where: short stacking energy: -877.467 Base-Backbone interact. energy: -2.714 local terms energy: -828.700975 where: bonds (distance) C4'-P energy: -151.345 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -179.198 flat angles P-C4'-P energy: -119.875 tors. eta vs tors. theta energy: -231.683 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: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2772.877662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.877662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.877662 (E_RNA) where: Base-Base interactions energy: -1978.640 where: short stacking energy: -866.264 Base-Backbone interact. energy: 7.709 local terms energy: -801.945841 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -165.923 flat angles P-C4'-P energy: -124.417 tors. eta vs tors. theta energy: -228.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2646.335484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.335484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.335484 (E_RNA) where: Base-Base interactions energy: -1894.479 where: short stacking energy: -780.010 Base-Backbone interact. energy: -1.323 local terms energy: -750.533017 where: bonds (distance) C4'-P energy: -139.276 bonds (distance) P-C4' energy: -153.319 flat angles C4'-P-C4' energy: -170.067 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -186.248 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: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2557.107275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.107275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.107275 (E_RNA) where: Base-Base interactions energy: -1809.088 where: short stacking energy: -731.414 Base-Backbone interact. energy: -3.915 local terms energy: -744.105147 where: bonds (distance) C4'-P energy: -142.802 bonds (distance) P-C4' energy: -144.167 flat angles C4'-P-C4' energy: -157.900 flat angles P-C4'-P energy: -114.841 tors. eta vs tors. theta energy: -184.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2237.649301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.649301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.649301 (E_RNA) where: Base-Base interactions energy: -1572.707 where: short stacking energy: -650.491 Base-Backbone interact. energy: 1.115 local terms energy: -666.057386 where: bonds (distance) C4'-P energy: -149.722 bonds (distance) P-C4' energy: -119.230 flat angles C4'-P-C4' energy: -144.389 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -148.352 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: 168 Temperature: 1.200000 Total energy: -2213.690530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.690530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.690530 (E_RNA) where: Base-Base interactions energy: -1528.307 where: short stacking energy: -653.720 Base-Backbone interact. energy: 2.167 local terms energy: -687.550618 where: bonds (distance) C4'-P energy: -129.029 bonds (distance) P-C4' energy: -134.070 flat angles C4'-P-C4' energy: -160.070 flat angles P-C4'-P energy: -96.271 tors. eta vs tors. theta energy: -168.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -2015.911124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.911124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.911124 (E_RNA) where: Base-Base interactions energy: -1374.364 where: short stacking energy: -588.967 Base-Backbone interact. energy: -1.064 local terms energy: -640.482664 where: bonds (distance) C4'-P energy: -139.790 bonds (distance) P-C4' energy: -121.069 flat angles C4'-P-C4' energy: -161.434 flat angles P-C4'-P energy: -77.766 tors. eta vs tors. theta energy: -140.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1915.435260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.435260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.435260 (E_RNA) where: Base-Base interactions energy: -1322.969 where: short stacking energy: -560.072 Base-Backbone interact. energy: -2.779 local terms energy: -589.687028 where: bonds (distance) C4'-P energy: -124.884 bonds (distance) P-C4' energy: -130.116 flat angles C4'-P-C4' energy: -152.588 flat angles P-C4'-P energy: -69.533 tors. eta vs tors. theta energy: -112.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1255.413013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.413013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.413013 (E_RNA) where: Base-Base interactions energy: -804.889 where: short stacking energy: -383.276 Base-Backbone interact. energy: -1.371 local terms energy: -449.153133 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -133.527 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -41.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2990.248038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.248038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.248038 (E_RNA) where: Base-Base interactions energy: -2125.564 where: short stacking energy: -873.535 Base-Backbone interact. energy: -7.481 local terms energy: -857.202909 where: bonds (distance) C4'-P energy: -168.049 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -120.577 tors. eta vs tors. theta energy: -228.447 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: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2888.690503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.690503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.690503 (E_RNA) where: Base-Base interactions energy: -2031.955 where: short stacking energy: -864.849 Base-Backbone interact. energy: 0.554 local terms energy: -857.289762 where: bonds (distance) C4'-P energy: -142.630 bonds (distance) P-C4' energy: -162.768 flat angles C4'-P-C4' energy: -188.201 flat angles P-C4'-P energy: -124.084 tors. eta vs tors. theta energy: -239.607 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: 8 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2784.373582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.373582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.373582 (E_RNA) where: Base-Base interactions energy: -1957.097 where: short stacking energy: -830.068 Base-Backbone interact. energy: 0.436 local terms energy: -827.712477 where: bonds (distance) C4'-P energy: -154.754 bonds (distance) P-C4' energy: -150.158 flat angles C4'-P-C4' energy: -182.991 flat angles P-C4'-P energy: -110.922 tors. eta vs tors. theta energy: -228.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2667.631235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.631235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.631235 (E_RNA) where: Base-Base interactions energy: -1889.879 where: short stacking energy: -796.552 Base-Backbone interact. energy: -5.449 local terms energy: -772.303252 where: bonds (distance) C4'-P energy: -146.138 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -163.342 flat angles P-C4'-P energy: -116.425 tors. eta vs tors. theta energy: -207.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2505.011171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.011171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.011171 (E_RNA) where: Base-Base interactions energy: -1782.940 where: short stacking energy: -713.840 Base-Backbone interact. energy: -0.603 local terms energy: -721.467624 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -146.349 flat angles C4'-P-C4' energy: -150.767 flat angles P-C4'-P energy: -105.612 tors. eta vs tors. theta energy: -172.969 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: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2344.800560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.800560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.800560 (E_RNA) where: Base-Base interactions energy: -1614.168 where: short stacking energy: -689.898 Base-Backbone interact. energy: -3.553 local terms energy: -727.079190 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -147.218 flat angles C4'-P-C4' energy: -171.162 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -172.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2149.218147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.218147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.218147 (E_RNA) where: Base-Base interactions energy: -1494.341 where: short stacking energy: -615.266 Base-Backbone interact. energy: -1.457 local terms energy: -653.420072 where: bonds (distance) C4'-P energy: -136.627 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -154.873 flat angles P-C4'-P energy: -91.764 tors. eta vs tors. theta energy: -150.841 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: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -2031.766991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.766991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.766991 (E_RNA) where: Base-Base interactions energy: -1430.926 where: short stacking energy: -603.599 Base-Backbone interact. energy: 0.898 local terms energy: -601.739322 where: bonds (distance) C4'-P energy: -129.587 bonds (distance) P-C4' energy: -113.808 flat angles C4'-P-C4' energy: -140.746 flat angles P-C4'-P energy: -91.994 tors. eta vs tors. theta energy: -125.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1936.860371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.860371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.860371 (E_RNA) where: Base-Base interactions energy: -1347.075 where: short stacking energy: -545.350 Base-Backbone interact. energy: 2.462 local terms energy: -592.247448 where: bonds (distance) C4'-P energy: -123.421 bonds (distance) P-C4' energy: -128.999 flat angles C4'-P-C4' energy: -152.249 flat angles P-C4'-P energy: -85.606 tors. eta vs tors. theta energy: -101.972 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: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1356.874281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.874281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.874281 (E_RNA) where: Base-Base interactions energy: -884.838 where: short stacking energy: -433.945 Base-Backbone interact. energy: 9.095 local terms energy: -481.131599 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -127.114 flat angles C4'-P-C4' energy: -114.878 flat angles P-C4'-P energy: -55.909 tors. eta vs tors. theta energy: -54.939 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: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2998.754964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.754964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.754964 (E_RNA) where: Base-Base interactions energy: -2142.296 where: short stacking energy: -890.042 Base-Backbone interact. energy: -4.464 local terms energy: -851.995033 where: bonds (distance) C4'-P energy: -163.152 bonds (distance) P-C4' energy: -167.897 flat angles C4'-P-C4' energy: -170.595 flat angles P-C4'-P energy: -119.918 tors. eta vs tors. theta energy: -230.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2867.738490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.738490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.738490 (E_RNA) where: Base-Base interactions energy: -1995.189 where: short stacking energy: -859.414 Base-Backbone interact. energy: -5.259 local terms energy: -867.290477 where: bonds (distance) C4'-P energy: -154.630 bonds (distance) P-C4' energy: -155.828 flat angles C4'-P-C4' energy: -191.001 flat angles P-C4'-P energy: -127.929 tors. eta vs tors. theta energy: -237.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2765.481962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.481962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.481962 (E_RNA) where: Base-Base interactions energy: -1953.305 where: short stacking energy: -857.571 Base-Backbone interact. energy: 3.017 local terms energy: -815.194412 where: bonds (distance) C4'-P energy: -149.802 bonds (distance) P-C4' energy: -145.546 flat angles C4'-P-C4' energy: -175.028 flat angles P-C4'-P energy: -125.391 tors. eta vs tors. theta energy: -219.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2678.776533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.776533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.776533 (E_RNA) where: Base-Base interactions energy: -1927.228 where: short stacking energy: -792.565 Base-Backbone interact. energy: -4.342 local terms energy: -747.206803 where: bonds (distance) C4'-P energy: -131.532 bonds (distance) P-C4' energy: -142.065 flat angles C4'-P-C4' energy: -165.192 flat angles P-C4'-P energy: -109.618 tors. eta vs tors. theta energy: -198.800 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: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2510.239256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.239256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.239256 (E_RNA) where: Base-Base interactions energy: -1783.587 where: short stacking energy: -726.161 Base-Backbone interact. energy: -3.341 local terms energy: -723.311883 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -140.612 flat angles C4'-P-C4' energy: -172.689 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -187.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2378.898710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.898710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.898710 (E_RNA) where: Base-Base interactions energy: -1678.598 where: short stacking energy: -692.034 Base-Backbone interact. energy: -4.444 local terms energy: -695.856997 where: bonds (distance) C4'-P energy: -132.279 bonds (distance) P-C4' energy: -130.867 flat angles C4'-P-C4' energy: -150.975 flat angles P-C4'-P energy: -105.357 tors. eta vs tors. theta energy: -176.379 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: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2231.011832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.011832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.011832 (E_RNA) where: Base-Base interactions energy: -1586.234 where: short stacking energy: -663.540 Base-Backbone interact. energy: 1.475 local terms energy: -646.253140 where: bonds (distance) C4'-P energy: -121.135 bonds (distance) P-C4' energy: -124.839 flat angles C4'-P-C4' energy: -143.363 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -169.019 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: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -2058.607427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.607427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.607427 (E_RNA) where: Base-Base interactions energy: -1447.439 where: short stacking energy: -592.273 Base-Backbone interact. energy: -3.528 local terms energy: -607.640119 where: bonds (distance) C4'-P energy: -125.366 bonds (distance) P-C4' energy: -121.732 flat angles C4'-P-C4' energy: -133.065 flat angles P-C4'-P energy: -80.714 tors. eta vs tors. theta energy: -146.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1904.238811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.238811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.238811 (E_RNA) where: Base-Base interactions energy: -1281.216 where: short stacking energy: -522.632 Base-Backbone interact. energy: 0.812 local terms energy: -623.835005 where: bonds (distance) C4'-P energy: -125.577 bonds (distance) P-C4' energy: -144.405 flat angles C4'-P-C4' energy: -136.657 flat angles P-C4'-P energy: -96.873 tors. eta vs tors. theta energy: -120.323 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: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1344.985455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.985455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.985455 (E_RNA) where: Base-Base interactions energy: -851.884 where: short stacking energy: -408.441 Base-Backbone interact. energy: 6.070 local terms energy: -499.171451 where: bonds (distance) C4'-P energy: -142.372 bonds (distance) P-C4' energy: -122.740 flat angles C4'-P-C4' energy: -129.485 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -57.660 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: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3038.901331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.901331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.901331 (E_RNA) where: Base-Base interactions energy: -2122.874 where: short stacking energy: -881.791 Base-Backbone interact. energy: -4.246 local terms energy: -911.781009 where: bonds (distance) C4'-P energy: -173.914 bonds (distance) P-C4' energy: -166.029 flat angles C4'-P-C4' energy: -199.091 flat angles P-C4'-P energy: -135.545 tors. eta vs tors. theta energy: -237.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2891.789476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.789476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.789476 (E_RNA) where: Base-Base interactions energy: -2062.964 where: short stacking energy: -861.157 Base-Backbone interact. energy: -1.865 local terms energy: -826.960250 where: bonds (distance) C4'-P energy: -149.554 bonds (distance) P-C4' energy: -160.422 flat angles C4'-P-C4' energy: -172.745 flat angles P-C4'-P energy: -105.432 tors. eta vs tors. theta energy: -238.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2754.835362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.835362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.835362 (E_RNA) where: Base-Base interactions energy: -1958.963 where: short stacking energy: -823.133 Base-Backbone interact. energy: -2.379 local terms energy: -793.492884 where: bonds (distance) C4'-P energy: -145.429 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -174.992 flat angles P-C4'-P energy: -102.722 tors. eta vs tors. theta energy: -219.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2690.862607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.862607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.862607 (E_RNA) where: Base-Base interactions energy: -1948.431 where: short stacking energy: -812.212 Base-Backbone interact. energy: -2.170 local terms energy: -740.262482 where: bonds (distance) C4'-P energy: -138.758 bonds (distance) P-C4' energy: -131.246 flat angles C4'-P-C4' energy: -162.829 flat angles P-C4'-P energy: -101.635 tors. eta vs tors. theta energy: -205.794 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: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2539.805445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.805445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.805445 (E_RNA) where: Base-Base interactions energy: -1782.389 where: short stacking energy: -736.452 Base-Backbone interact. energy: 2.064 local terms energy: -759.480419 where: bonds (distance) C4'-P energy: -136.164 bonds (distance) P-C4' energy: -149.877 flat angles C4'-P-C4' energy: -172.772 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -194.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2381.815428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.815428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.815428 (E_RNA) where: Base-Base interactions energy: -1677.263 where: short stacking energy: -711.378 Base-Backbone interact. energy: -3.705 local terms energy: -700.847825 where: bonds (distance) C4'-P energy: -131.547 bonds (distance) P-C4' energy: -141.142 flat angles C4'-P-C4' energy: -148.025 flat angles P-C4'-P energy: -111.341 tors. eta vs tors. theta energy: -168.793 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: 171 Temperature: 1.200000 Total energy: -2173.908022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.908022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.908022 (E_RNA) where: Base-Base interactions energy: -1536.115 where: short stacking energy: -674.269 Base-Backbone interact. energy: -0.970 local terms energy: -636.822851 where: bonds (distance) C4'-P energy: -123.383 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -137.189 flat angles P-C4'-P energy: -85.155 tors. eta vs tors. theta energy: -171.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2024.049030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.049030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.049030 (E_RNA) where: Base-Base interactions energy: -1425.627 where: short stacking energy: -593.173 Base-Backbone interact. energy: -4.111 local terms energy: -594.311724 where: bonds (distance) C4'-P energy: -116.688 bonds (distance) P-C4' energy: -127.008 flat angles C4'-P-C4' energy: -151.784 flat angles P-C4'-P energy: -76.688 tors. eta vs tors. theta energy: -122.143 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: 10 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1871.367784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.367784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.367784 (E_RNA) where: Base-Base interactions energy: -1301.456 where: short stacking energy: -538.613 Base-Backbone interact. energy: 1.000 local terms energy: -570.911876 where: bonds (distance) C4'-P energy: -107.934 bonds (distance) P-C4' energy: -143.015 flat angles C4'-P-C4' energy: -132.909 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -113.361 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: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1266.193611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.193611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.193611 (E_RNA) where: Base-Base interactions energy: -795.654 where: short stacking energy: -383.134 Base-Backbone interact. energy: -2.784 local terms energy: -467.755498 where: bonds (distance) C4'-P energy: -116.577 bonds (distance) P-C4' energy: -130.441 flat angles C4'-P-C4' energy: -107.081 flat angles P-C4'-P energy: -92.234 tors. eta vs tors. theta energy: -21.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3002.927779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.927779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.927779 (E_RNA) where: Base-Base interactions energy: -2139.921 where: short stacking energy: -878.331 Base-Backbone interact. energy: 1.352 local terms energy: -864.358603 where: bonds (distance) C4'-P energy: -147.536 bonds (distance) P-C4' energy: -166.916 flat angles C4'-P-C4' energy: -187.417 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -250.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2925.823428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.823428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.823428 (E_RNA) where: Base-Base interactions energy: -2080.536 where: short stacking energy: -883.420 Base-Backbone interact. energy: -3.790 local terms energy: -841.497593 where: bonds (distance) C4'-P energy: -164.328 bonds (distance) P-C4' energy: -152.011 flat angles C4'-P-C4' energy: -180.564 flat angles P-C4'-P energy: -112.414 tors. eta vs tors. theta energy: -232.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2731.756595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.756595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.756595 (E_RNA) where: Base-Base interactions energy: -1930.773 where: short stacking energy: -809.928 Base-Backbone interact. energy: 1.406 local terms energy: -802.389422 where: bonds (distance) C4'-P energy: -150.217 bonds (distance) P-C4' energy: -141.460 flat angles C4'-P-C4' energy: -184.185 flat angles P-C4'-P energy: -123.366 tors. eta vs tors. theta energy: -203.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2691.629224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.629224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.629224 (E_RNA) where: Base-Base interactions energy: -1902.213 where: short stacking energy: -799.762 Base-Backbone interact. energy: -2.958 local terms energy: -786.458160 where: bonds (distance) C4'-P energy: -141.492 bonds (distance) P-C4' energy: -156.180 flat angles C4'-P-C4' energy: -170.872 flat angles P-C4'-P energy: -98.777 tors. eta vs tors. theta energy: -219.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2537.907274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.907274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.907274 (E_RNA) where: Base-Base interactions energy: -1807.595 where: short stacking energy: -754.004 Base-Backbone interact. energy: 4.963 local terms energy: -735.275184 where: bonds (distance) C4'-P energy: -147.652 bonds (distance) P-C4' energy: -129.880 flat angles C4'-P-C4' energy: -156.767 flat angles P-C4'-P energy: -109.623 tors. eta vs tors. theta energy: -191.355 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: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2415.894143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.894143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.894143 (E_RNA) where: Base-Base interactions energy: -1720.335 where: short stacking energy: -726.900 Base-Backbone interact. energy: -2.760 local terms energy: -692.799551 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -131.109 flat angles C4'-P-C4' energy: -155.894 flat angles P-C4'-P energy: -106.457 tors. eta vs tors. theta energy: -176.397 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: 172 Temperature: 1.200000 Total energy: -2183.533203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.533203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.533203 (E_RNA) where: Base-Base interactions energy: -1510.677 where: short stacking energy: -665.142 Base-Backbone interact. energy: -0.935 local terms energy: -671.921165 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -136.467 flat angles C4'-P-C4' energy: -144.603 flat angles P-C4'-P energy: -94.604 tors. eta vs tors. theta energy: -157.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1980.963851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.963851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.963851 (E_RNA) where: Base-Base interactions energy: -1394.267 where: short stacking energy: -590.735 Base-Backbone interact. energy: -3.474 local terms energy: -583.223110 where: bonds (distance) C4'-P energy: -126.223 bonds (distance) P-C4' energy: -113.682 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -123.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1874.354301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.354301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.354301 (E_RNA) where: Base-Base interactions energy: -1303.127 where: short stacking energy: -528.130 Base-Backbone interact. energy: -1.164 local terms energy: -570.063238 where: bonds (distance) C4'-P energy: -126.035 bonds (distance) P-C4' energy: -132.746 flat angles C4'-P-C4' energy: -132.544 flat angles P-C4'-P energy: -66.743 tors. eta vs tors. theta energy: -111.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1322.385778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.385778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.385778 (E_RNA) where: Base-Base interactions energy: -837.020 where: short stacking energy: -401.936 Base-Backbone interact. energy: -2.735 local terms energy: -482.629885 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -120.360 flat angles C4'-P-C4' energy: -125.916 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: -49.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2998.892311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.892311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.892311 (E_RNA) where: Base-Base interactions energy: -2107.578 where: short stacking energy: -886.691 Base-Backbone interact. energy: -3.567 local terms energy: -887.747278 where: bonds (distance) C4'-P energy: -168.631 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -184.727 flat angles P-C4'-P energy: -133.449 tors. eta vs tors. theta energy: -243.956 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: 173 Temperature: 0.950000 Total energy: -2899.108832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.108832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.108832 (E_RNA) where: Base-Base interactions energy: -2051.790 where: short stacking energy: -848.083 Base-Backbone interact. energy: -5.688 local terms energy: -841.630837 where: bonds (distance) C4'-P energy: -157.917 bonds (distance) P-C4' energy: -157.271 flat angles C4'-P-C4' energy: -176.905 flat angles P-C4'-P energy: -111.673 tors. eta vs tors. theta energy: -237.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2701.521564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.521564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.521564 (E_RNA) where: Base-Base interactions energy: -1950.074 where: short stacking energy: -804.666 Base-Backbone interact. energy: 4.013 local terms energy: -755.459933 where: bonds (distance) C4'-P energy: -144.464 bonds (distance) P-C4' energy: -153.222 flat angles C4'-P-C4' energy: -157.152 flat angles P-C4'-P energy: -99.653 tors. eta vs tors. theta energy: -200.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2719.575042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.575042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.575042 (E_RNA) where: Base-Base interactions energy: -1909.551 where: short stacking energy: -832.045 Base-Backbone interact. energy: -1.327 local terms energy: -808.697277 where: bonds (distance) C4'-P energy: -132.119 bonds (distance) P-C4' energy: -158.278 flat angles C4'-P-C4' energy: -181.708 flat angles P-C4'-P energy: -108.835 tors. eta vs tors. theta energy: -227.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2536.798622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.798622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.798622 (E_RNA) where: Base-Base interactions energy: -1801.666 where: short stacking energy: -726.236 Base-Backbone interact. energy: 7.191 local terms energy: -742.323616 where: bonds (distance) C4'-P energy: -142.697 bonds (distance) P-C4' energy: -147.296 flat angles C4'-P-C4' energy: -170.265 flat angles P-C4'-P energy: -105.015 tors. eta vs tors. theta energy: -177.051 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: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2368.299428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.299428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.299428 (E_RNA) where: Base-Base interactions energy: -1634.953 where: short stacking energy: -686.205 Base-Backbone interact. energy: -4.545 local terms energy: -728.801449 where: bonds (distance) C4'-P energy: -132.635 bonds (distance) P-C4' energy: -155.119 flat angles C4'-P-C4' energy: -164.544 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -177.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2211.503910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.503910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.503910 (E_RNA) where: Base-Base interactions energy: -1552.272 where: short stacking energy: -680.346 Base-Backbone interact. energy: -2.261 local terms energy: -656.970809 where: bonds (distance) C4'-P energy: -126.063 bonds (distance) P-C4' energy: -117.479 flat angles C4'-P-C4' energy: -160.800 flat angles P-C4'-P energy: -92.373 tors. eta vs tors. theta energy: -160.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1950.504971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.504971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.504971 (E_RNA) where: Base-Base interactions energy: -1313.746 where: short stacking energy: -588.275 Base-Backbone interact. energy: -3.582 local terms energy: -633.176860 where: bonds (distance) C4'-P energy: -129.995 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -156.796 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -138.748 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: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1848.030180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.030180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.030180 (E_RNA) where: Base-Base interactions energy: -1242.614 where: short stacking energy: -526.211 Base-Backbone interact. energy: -5.397 local terms energy: -600.019219 where: bonds (distance) C4'-P energy: -109.555 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -155.983 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -103.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1257.855217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.855217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.855217 (E_RNA) where: Base-Base interactions energy: -799.030 where: short stacking energy: -369.052 Base-Backbone interact. energy: 3.390 local terms energy: -462.214685 where: bonds (distance) C4'-P energy: -130.655 bonds (distance) P-C4' energy: -130.372 flat angles C4'-P-C4' energy: -94.714 flat angles P-C4'-P energy: -76.542 tors. eta vs tors. theta energy: -29.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3019.838864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.838864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.838864 (E_RNA) where: Base-Base interactions energy: -2120.710 where: short stacking energy: -879.310 Base-Backbone interact. energy: -1.067 local terms energy: -898.061146 where: bonds (distance) C4'-P energy: -174.069 bonds (distance) P-C4' energy: -174.077 flat angles C4'-P-C4' energy: -181.847 flat angles P-C4'-P energy: -123.165 tors. eta vs tors. theta energy: -244.902 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: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2913.801637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.801637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.801637 (E_RNA) where: Base-Base interactions energy: -2084.643 where: short stacking energy: -877.629 Base-Backbone interact. energy: -1.938 local terms energy: -827.220574 where: bonds (distance) C4'-P energy: -145.909 bonds (distance) P-C4' energy: -149.733 flat angles C4'-P-C4' energy: -178.179 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -239.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2782.560294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.560294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.560294 (E_RNA) where: Base-Base interactions energy: -1947.234 where: short stacking energy: -855.327 Base-Backbone interact. energy: -3.798 local terms energy: -831.527489 where: bonds (distance) C4'-P energy: -156.750 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -179.919 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -238.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2676.375247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.375247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.375247 (E_RNA) where: Base-Base interactions energy: -1876.983 where: short stacking energy: -768.500 Base-Backbone interact. energy: -1.516 local terms energy: -797.876043 where: bonds (distance) C4'-P energy: -148.339 bonds (distance) P-C4' energy: -159.373 flat angles C4'-P-C4' energy: -180.169 flat angles P-C4'-P energy: -105.272 tors. eta vs tors. theta energy: -204.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2523.589905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.589905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.589905 (E_RNA) where: Base-Base interactions energy: -1802.429 where: short stacking energy: -741.638 Base-Backbone interact. energy: 8.293 local terms energy: -729.453026 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -135.809 flat angles C4'-P-C4' energy: -162.612 flat angles P-C4'-P energy: -111.124 tors. eta vs tors. theta energy: -188.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2386.477989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.477989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.477989 (E_RNA) where: Base-Base interactions energy: -1687.254 where: short stacking energy: -705.514 Base-Backbone interact. energy: -8.355 local terms energy: -690.868844 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -127.324 flat angles C4'-P-C4' energy: -155.738 flat angles P-C4'-P energy: -113.656 tors. eta vs tors. theta energy: -164.265 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2243.846972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.846972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.846972 (E_RNA) where: Base-Base interactions energy: -1534.895 where: short stacking energy: -671.606 Base-Backbone interact. energy: -1.464 local terms energy: -707.487956 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -142.931 flat angles C4'-P-C4' energy: -159.043 flat angles P-C4'-P energy: -88.259 tors. eta vs tors. theta energy: -187.221 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: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2007.126228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.126228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.126228 (E_RNA) where: Base-Base interactions energy: -1393.083 where: short stacking energy: -569.917 Base-Backbone interact. energy: -0.149 local terms energy: -613.894563 where: bonds (distance) C4'-P energy: -124.145 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -154.265 flat angles P-C4'-P energy: -69.034 tors. eta vs tors. theta energy: -128.602 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: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1862.065035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.065035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.065035 (E_RNA) where: Base-Base interactions energy: -1292.854 where: short stacking energy: -544.554 Base-Backbone interact. energy: -2.780 local terms energy: -566.430157 where: bonds (distance) C4'-P energy: -119.213 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -125.832 flat angles P-C4'-P energy: -83.514 tors. eta vs tors. theta energy: -107.546 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: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1333.804281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.804281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.804281 (E_RNA) where: Base-Base interactions energy: -847.165 where: short stacking energy: -421.647 Base-Backbone interact. energy: -1.298 local terms energy: -485.341228 where: bonds (distance) C4'-P energy: -106.291 bonds (distance) P-C4' energy: -117.002 flat angles C4'-P-C4' energy: -110.068 flat angles P-C4'-P energy: -84.637 tors. eta vs tors. theta energy: -67.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3001.286582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.286582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.286582 (E_RNA) where: Base-Base interactions energy: -2114.913 where: short stacking energy: -872.620 Base-Backbone interact. energy: -3.899 local terms energy: -882.474340 where: bonds (distance) C4'-P energy: -163.093 bonds (distance) P-C4' energy: -158.904 flat angles C4'-P-C4' energy: -190.126 flat angles P-C4'-P energy: -130.981 tors. eta vs tors. theta energy: -239.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2930.386092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.386092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.386092 (E_RNA) where: Base-Base interactions energy: -2101.746 where: short stacking energy: -871.117 Base-Backbone interact. energy: -4.291 local terms energy: -824.349200 where: bonds (distance) C4'-P energy: -147.627 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -180.613 flat angles P-C4'-P energy: -121.548 tors. eta vs tors. theta energy: -221.873 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: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2802.609713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.609713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.609713 (E_RNA) where: Base-Base interactions energy: -2007.837 where: short stacking energy: -889.265 Base-Backbone interact. energy: -4.402 local terms energy: -790.370907 where: bonds (distance) C4'-P energy: -130.885 bonds (distance) P-C4' energy: -128.172 flat angles C4'-P-C4' energy: -171.508 flat angles P-C4'-P energy: -112.484 tors. eta vs tors. theta energy: -247.321 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: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2633.779143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.779143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.779143 (E_RNA) where: Base-Base interactions energy: -1866.184 where: short stacking energy: -770.843 Base-Backbone interact. energy: 3.682 local terms energy: -771.276628 where: bonds (distance) C4'-P energy: -143.004 bonds (distance) P-C4' energy: -152.917 flat angles C4'-P-C4' energy: -173.611 flat angles P-C4'-P energy: -106.792 tors. eta vs tors. theta energy: -194.953 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: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2562.890249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.890249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.890249 (E_RNA) where: Base-Base interactions energy: -1817.198 where: short stacking energy: -733.586 Base-Backbone interact. energy: -4.450 local terms energy: -741.242289 where: bonds (distance) C4'-P energy: -139.479 bonds (distance) P-C4' energy: -135.122 flat angles C4'-P-C4' energy: -163.474 flat angles P-C4'-P energy: -114.243 tors. eta vs tors. theta energy: -188.925 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: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2402.413219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.413219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.413219 (E_RNA) where: Base-Base interactions energy: -1683.017 where: short stacking energy: -690.585 Base-Backbone interact. energy: -2.891 local terms energy: -716.505153 where: bonds (distance) C4'-P energy: -138.312 bonds (distance) P-C4' energy: -139.986 flat angles C4'-P-C4' energy: -169.032 flat angles P-C4'-P energy: -103.190 tors. eta vs tors. theta energy: -165.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2221.927572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.927572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.927572 (E_RNA) where: Base-Base interactions energy: -1554.436 where: short stacking energy: -668.858 Base-Backbone interact. energy: 0.091 local terms energy: -667.582785 where: bonds (distance) C4'-P energy: -120.818 bonds (distance) P-C4' energy: -139.043 flat angles C4'-P-C4' energy: -149.061 flat angles P-C4'-P energy: -96.365 tors. eta vs tors. theta energy: -162.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1971.122707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.122707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.122707 (E_RNA) where: Base-Base interactions energy: -1345.370 where: short stacking energy: -553.045 Base-Backbone interact. energy: -2.405 local terms energy: -623.348183 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -130.424 flat angles C4'-P-C4' energy: -133.527 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: -139.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1959.385639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.385639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.385639 (E_RNA) where: Base-Base interactions energy: -1342.727 where: short stacking energy: -535.640 Base-Backbone interact. energy: 1.130 local terms energy: -617.787890 where: bonds (distance) C4'-P energy: -118.948 bonds (distance) P-C4' energy: -146.489 flat angles C4'-P-C4' energy: -128.128 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -139.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1337.049377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.049377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.049377 (E_RNA) where: Base-Base interactions energy: -852.294 where: short stacking energy: -411.629 Base-Backbone interact. energy: -4.875 local terms energy: -479.880891 where: bonds (distance) C4'-P energy: -106.509 bonds (distance) P-C4' energy: -112.464 flat angles C4'-P-C4' energy: -125.547 flat angles P-C4'-P energy: -65.180 tors. eta vs tors. theta energy: -70.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2990.681977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.681977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.681977 (E_RNA) where: Base-Base interactions energy: -2118.199 where: short stacking energy: -878.467 Base-Backbone interact. energy: -1.453 local terms energy: -871.029452 where: bonds (distance) C4'-P energy: -159.157 bonds (distance) P-C4' energy: -161.530 flat angles C4'-P-C4' energy: -191.050 flat angles P-C4'-P energy: -120.494 tors. eta vs tors. theta energy: -238.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2910.907526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.907526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.907526 (E_RNA) where: Base-Base interactions energy: -2071.122 where: short stacking energy: -847.476 Base-Backbone interact. energy: -5.897 local terms energy: -833.888047 where: bonds (distance) C4'-P energy: -168.063 bonds (distance) P-C4' energy: -153.674 flat angles C4'-P-C4' energy: -183.103 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -225.386 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: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2770.209017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.209017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.209017 (E_RNA) where: Base-Base interactions energy: -1981.140 where: short stacking energy: -826.663 Base-Backbone interact. energy: -1.967 local terms energy: -787.102037 where: bonds (distance) C4'-P energy: -129.491 bonds (distance) P-C4' energy: -146.672 flat angles C4'-P-C4' energy: -176.548 flat angles P-C4'-P energy: -86.955 tors. eta vs tors. theta energy: -247.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2628.130242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.130242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.130242 (E_RNA) where: Base-Base interactions energy: -1896.582 where: short stacking energy: -780.416 Base-Backbone interact. energy: -2.986 local terms energy: -728.562763 where: bonds (distance) C4'-P energy: -132.235 bonds (distance) P-C4' energy: -147.057 flat angles C4'-P-C4' energy: -164.390 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -196.071 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: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2579.702028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.702028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.702028 (E_RNA) where: Base-Base interactions energy: -1837.178 where: short stacking energy: -767.769 Base-Backbone interact. energy: -5.216 local terms energy: -737.308100 where: bonds (distance) C4'-P energy: -124.899 bonds (distance) P-C4' energy: -164.988 flat angles C4'-P-C4' energy: -156.658 flat angles P-C4'-P energy: -99.249 tors. eta vs tors. theta energy: -191.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2410.281384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.281384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.281384 (E_RNA) where: Base-Base interactions energy: -1694.718 where: short stacking energy: -715.027 Base-Backbone interact. energy: -5.011 local terms energy: -710.552429 where: bonds (distance) C4'-P energy: -116.156 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -169.893 flat angles P-C4'-P energy: -106.256 tors. eta vs tors. theta energy: -177.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2271.149478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.149478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.149478 (E_RNA) where: Base-Base interactions energy: -1568.122 where: short stacking energy: -679.702 Base-Backbone interact. energy: -2.669 local terms energy: -700.359235 where: bonds (distance) C4'-P energy: -127.405 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -167.728 flat angles P-C4'-P energy: -90.290 tors. eta vs tors. theta energy: -170.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1912.298429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.298429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.298429 (E_RNA) where: Base-Base interactions energy: -1311.870 where: short stacking energy: -541.369 Base-Backbone interact. energy: 0.976 local terms energy: -601.404499 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -129.297 flat angles C4'-P-C4' energy: -140.960 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -105.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1859.678907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.678907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.678907 (E_RNA) where: Base-Base interactions energy: -1275.913 where: short stacking energy: -559.989 Base-Backbone interact. energy: 1.399 local terms energy: -585.164917 where: bonds (distance) C4'-P energy: -128.428 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -139.631 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -120.174 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: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1366.004930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.004930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.004930 (E_RNA) where: Base-Base interactions energy: -892.071 where: short stacking energy: -397.718 Base-Backbone interact. energy: 0.156 local terms energy: -474.089618 where: bonds (distance) C4'-P energy: -114.468 bonds (distance) P-C4' energy: -130.253 flat angles C4'-P-C4' energy: -113.241 flat angles P-C4'-P energy: -59.626 tors. eta vs tors. theta energy: -56.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3009.200065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.200065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.200065 (E_RNA) where: Base-Base interactions energy: -2136.015 where: short stacking energy: -902.317 Base-Backbone interact. energy: -3.519 local terms energy: -869.665470 where: bonds (distance) C4'-P energy: -152.502 bonds (distance) P-C4' energy: -167.006 flat angles C4'-P-C4' energy: -177.398 flat angles P-C4'-P energy: -135.360 tors. eta vs tors. theta energy: -237.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2937.756054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.756054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.756054 (E_RNA) where: Base-Base interactions energy: -2090.492 where: short stacking energy: -868.521 Base-Backbone interact. energy: -2.321 local terms energy: -844.943363 where: bonds (distance) C4'-P energy: -156.916 bonds (distance) P-C4' energy: -156.333 flat angles C4'-P-C4' energy: -181.077 flat angles P-C4'-P energy: -115.527 tors. eta vs tors. theta energy: -235.090 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: 177 Temperature: 1.000000 Total energy: -2778.621150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.621150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.621150 (E_RNA) where: Base-Base interactions energy: -1985.017 where: short stacking energy: -826.308 Base-Backbone interact. energy: -3.172 local terms energy: -790.431380 where: bonds (distance) C4'-P energy: -150.052 bonds (distance) P-C4' energy: -164.281 flat angles C4'-P-C4' energy: -162.223 flat angles P-C4'-P energy: -90.946 tors. eta vs tors. theta energy: -222.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2648.543260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.543260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.543260 (E_RNA) where: Base-Base interactions energy: -1894.049 where: short stacking energy: -796.947 Base-Backbone interact. energy: -3.283 local terms energy: -751.212200 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -138.124 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -81.535 tors. eta vs tors. theta energy: -214.690 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: 7 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2618.835855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.835855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.835855 (E_RNA) where: Base-Base interactions energy: -1862.103 where: short stacking energy: -767.083 Base-Backbone interact. energy: -2.845 local terms energy: -753.887669 where: bonds (distance) C4'-P energy: -127.053 bonds (distance) P-C4' energy: -135.651 flat angles C4'-P-C4' energy: -173.460 flat angles P-C4'-P energy: -121.897 tors. eta vs tors. theta energy: -195.827 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: 177 Temperature: 1.150000 Total energy: -2402.358155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.358155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.358155 (E_RNA) where: Base-Base interactions energy: -1710.692 where: short stacking energy: -715.538 Base-Backbone interact. energy: -2.143 local terms energy: -689.523219 where: bonds (distance) C4'-P energy: -127.206 bonds (distance) P-C4' energy: -134.205 flat angles C4'-P-C4' energy: -146.388 flat angles P-C4'-P energy: -108.402 tors. eta vs tors. theta energy: -173.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2285.267762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.267762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.267762 (E_RNA) where: Base-Base interactions energy: -1604.096 where: short stacking energy: -714.400 Base-Backbone interact. energy: -2.377 local terms energy: -678.794558 where: bonds (distance) C4'-P energy: -114.264 bonds (distance) P-C4' energy: -102.426 flat angles C4'-P-C4' energy: -166.265 flat angles P-C4'-P energy: -109.810 tors. eta vs tors. theta energy: -186.030 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: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1890.119190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.119190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.119190 (E_RNA) where: Base-Base interactions energy: -1296.474 where: short stacking energy: -542.325 Base-Backbone interact. energy: 0.175 local terms energy: -593.820358 where: bonds (distance) C4'-P energy: -124.238 bonds (distance) P-C4' energy: -138.484 flat angles C4'-P-C4' energy: -126.982 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: -132.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1784.254525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.254525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.254525 (E_RNA) where: Base-Base interactions energy: -1194.642 where: short stacking energy: -526.674 Base-Backbone interact. energy: 1.136 local terms energy: -590.748701 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -120.319 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -88.814 tors. eta vs tors. theta energy: -117.002 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: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1312.956224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.956224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.956224 (E_RNA) where: Base-Base interactions energy: -860.066 where: short stacking energy: -411.960 Base-Backbone interact. energy: -2.054 local terms energy: -450.836071 where: bonds (distance) C4'-P energy: -98.731 bonds (distance) P-C4' energy: -139.707 flat angles C4'-P-C4' energy: -110.144 flat angles P-C4'-P energy: -51.908 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: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2982.414053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.414053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.414053 (E_RNA) where: Base-Base interactions energy: -2111.114 where: short stacking energy: -895.122 Base-Backbone interact. energy: -2.716 local terms energy: -868.584714 where: bonds (distance) C4'-P energy: -152.540 bonds (distance) P-C4' energy: -171.573 flat angles C4'-P-C4' energy: -183.158 flat angles P-C4'-P energy: -120.354 tors. eta vs tors. theta energy: -240.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2932.218152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.218152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.218152 (E_RNA) where: Base-Base interactions energy: -2082.965 where: short stacking energy: -912.272 Base-Backbone interact. energy: 4.343 local terms energy: -853.596360 where: bonds (distance) C4'-P energy: -145.931 bonds (distance) P-C4' energy: -156.317 flat angles C4'-P-C4' energy: -187.111 flat angles P-C4'-P energy: -118.664 tors. eta vs tors. theta energy: -245.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2775.613607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.613607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.613607 (E_RNA) where: Base-Base interactions energy: -1974.671 where: short stacking energy: -853.977 Base-Backbone interact. energy: -0.492 local terms energy: -800.450061 where: bonds (distance) C4'-P energy: -143.527 bonds (distance) P-C4' energy: -137.746 flat angles C4'-P-C4' energy: -179.020 flat angles P-C4'-P energy: -103.228 tors. eta vs tors. theta energy: -236.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2646.546020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.546020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.546020 (E_RNA) where: Base-Base interactions energy: -1870.527 where: short stacking energy: -797.181 Base-Backbone interact. energy: -3.396 local terms energy: -772.623208 where: bonds (distance) C4'-P energy: -141.392 bonds (distance) P-C4' energy: -160.684 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -92.598 tors. eta vs tors. theta energy: -208.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2565.856649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.856649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.856649 (E_RNA) where: Base-Base interactions energy: -1815.363 where: short stacking energy: -742.551 Base-Backbone interact. energy: 0.697 local terms energy: -751.191300 where: bonds (distance) C4'-P energy: -152.652 bonds (distance) P-C4' energy: -146.129 flat angles C4'-P-C4' energy: -150.381 flat angles P-C4'-P energy: -104.244 tors. eta vs tors. theta energy: -197.786 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: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2344.627169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.627169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.627169 (E_RNA) where: Base-Base interactions energy: -1638.004 where: short stacking energy: -660.365 Base-Backbone interact. energy: -1.327 local terms energy: -705.295741 where: bonds (distance) C4'-P energy: -147.982 bonds (distance) P-C4' energy: -151.387 flat angles C4'-P-C4' energy: -146.537 flat angles P-C4'-P energy: -99.270 tors. eta vs tors. theta energy: -160.120 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: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2246.850579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.850579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.850579 (E_RNA) where: Base-Base interactions energy: -1557.586 where: short stacking energy: -666.166 Base-Backbone interact. energy: -1.157 local terms energy: -688.107216 where: bonds (distance) C4'-P energy: -132.529 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -98.601 tors. eta vs tors. theta energy: -176.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1947.587453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.587453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.587453 (E_RNA) where: Base-Base interactions energy: -1320.255 where: short stacking energy: -596.959 Base-Backbone interact. energy: -0.651 local terms energy: -626.681528 where: bonds (distance) C4'-P energy: -134.265 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -141.908 flat angles P-C4'-P energy: -85.143 tors. eta vs tors. theta energy: -126.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1780.823818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.823818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.823818 (E_RNA) where: Base-Base interactions energy: -1183.653 where: short stacking energy: -522.484 Base-Backbone interact. energy: -1.809 local terms energy: -595.361724 where: bonds (distance) C4'-P energy: -122.056 bonds (distance) P-C4' energy: -127.928 flat angles C4'-P-C4' energy: -136.560 flat angles P-C4'-P energy: -95.263 tors. eta vs tors. theta energy: -113.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1315.804576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.804576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.804576 (E_RNA) where: Base-Base interactions energy: -834.222 where: short stacking energy: -361.751 Base-Backbone interact. energy: 3.535 local terms energy: -485.118004 where: bonds (distance) C4'-P energy: -130.265 bonds (distance) P-C4' energy: -114.861 flat angles C4'-P-C4' energy: -120.955 flat angles P-C4'-P energy: -72.995 tors. eta vs tors. theta energy: -46.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2990.951678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.951678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.951678 (E_RNA) where: Base-Base interactions energy: -2089.193 where: short stacking energy: -882.522 Base-Backbone interact. energy: -4.809 local terms energy: -896.949735 where: bonds (distance) C4'-P energy: -160.836 bonds (distance) P-C4' energy: -179.191 flat angles C4'-P-C4' energy: -188.100 flat angles P-C4'-P energy: -134.428 tors. eta vs tors. theta energy: -234.396 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: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2942.808490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.808490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.808490 (E_RNA) where: Base-Base interactions energy: -2098.398 where: short stacking energy: -879.885 Base-Backbone interact. energy: -3.025 local terms energy: -841.386058 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -160.376 flat angles C4'-P-C4' energy: -171.756 flat angles P-C4'-P energy: -121.548 tors. eta vs tors. theta energy: -235.322 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: 179 Temperature: 1.000000 Total energy: -2790.533148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.533148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.533148 (E_RNA) where: Base-Base interactions energy: -1976.188 where: short stacking energy: -840.563 Base-Backbone interact. energy: -3.852 local terms energy: -810.493745 where: bonds (distance) C4'-P energy: -144.519 bonds (distance) P-C4' energy: -148.693 flat angles C4'-P-C4' energy: -162.755 flat angles P-C4'-P energy: -117.867 tors. eta vs tors. theta energy: -236.661 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2593.422185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.422185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.422185 (E_RNA) where: Base-Base interactions energy: -1822.001 where: short stacking energy: -774.959 Base-Backbone interact. energy: -2.371 local terms energy: -769.049627 where: bonds (distance) C4'-P energy: -143.801 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -164.008 flat angles P-C4'-P energy: -105.005 tors. eta vs tors. theta energy: -209.502 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: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2536.297034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.297034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.297034 (E_RNA) where: Base-Base interactions energy: -1794.727 where: short stacking energy: -753.848 Base-Backbone interact. energy: -5.045 local terms energy: -736.524445 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -152.866 flat angles C4'-P-C4' energy: -169.556 flat angles P-C4'-P energy: -101.797 tors. eta vs tors. theta energy: -191.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2349.186716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.186716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.186716 (E_RNA) where: Base-Base interactions energy: -1667.218 where: short stacking energy: -734.104 Base-Backbone interact. energy: -1.694 local terms energy: -680.274284 where: bonds (distance) C4'-P energy: -124.661 bonds (distance) P-C4' energy: -134.582 flat angles C4'-P-C4' energy: -147.514 flat angles P-C4'-P energy: -92.388 tors. eta vs tors. theta energy: -181.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2276.126099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.126099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.126099 (E_RNA) where: Base-Base interactions energy: -1609.577 where: short stacking energy: -648.435 Base-Backbone interact. energy: 2.790 local terms energy: -669.338363 where: bonds (distance) C4'-P energy: -128.330 bonds (distance) P-C4' energy: -138.014 flat angles C4'-P-C4' energy: -162.091 flat angles P-C4'-P energy: -96.248 tors. eta vs tors. theta energy: -144.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1925.813964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.813964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.813964 (E_RNA) where: Base-Base interactions energy: -1330.989 where: short stacking energy: -586.603 Base-Backbone interact. energy: -2.107 local terms energy: -592.718072 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -132.445 flat angles P-C4'-P energy: -72.491 tors. eta vs tors. theta energy: -141.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1805.237023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.237023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.237023 (E_RNA) where: Base-Base interactions energy: -1231.845 where: short stacking energy: -525.026 Base-Backbone interact. energy: 2.501 local terms energy: -575.892374 where: bonds (distance) C4'-P energy: -128.103 bonds (distance) P-C4' energy: -122.324 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -87.441 tors. eta vs tors. theta energy: -104.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1406.517446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.517446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.517446 (E_RNA) where: Base-Base interactions energy: -889.996 where: short stacking energy: -403.052 Base-Backbone interact. energy: -1.073 local terms energy: -515.448385 where: bonds (distance) C4'-P energy: -115.431 bonds (distance) P-C4' energy: -150.085 flat angles C4'-P-C4' energy: -129.708 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -53.294 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: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2981.664035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.664035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.664035 (E_RNA) where: Base-Base interactions energy: -2108.001 where: short stacking energy: -893.060 Base-Backbone interact. energy: -5.603 local terms energy: -868.060075 where: bonds (distance) C4'-P energy: -159.880 bonds (distance) P-C4' energy: -161.898 flat angles C4'-P-C4' energy: -188.050 flat angles P-C4'-P energy: -125.171 tors. eta vs tors. theta energy: -233.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2939.503189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.503189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.503189 (E_RNA) where: Base-Base interactions energy: -2078.937 where: short stacking energy: -895.714 Base-Backbone interact. energy: -1.633 local terms energy: -858.932650 where: bonds (distance) C4'-P energy: -151.693 bonds (distance) P-C4' energy: -152.237 flat angles C4'-P-C4' energy: -187.082 flat angles P-C4'-P energy: -132.114 tors. eta vs tors. theta energy: -235.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2763.746212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.746212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.746212 (E_RNA) where: Base-Base interactions energy: -1969.311 where: short stacking energy: -847.881 Base-Backbone interact. energy: -2.157 local terms energy: -792.277408 where: bonds (distance) C4'-P energy: -138.831 bonds (distance) P-C4' energy: -153.097 flat angles C4'-P-C4' energy: -170.130 flat angles P-C4'-P energy: -106.204 tors. eta vs tors. theta energy: -224.016 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: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2572.272711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.272711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.272711 (E_RNA) where: Base-Base interactions energy: -1834.717 where: short stacking energy: -777.642 Base-Backbone interact. energy: -3.695 local terms energy: -733.860206 where: bonds (distance) C4'-P energy: -119.445 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -181.582 flat angles P-C4'-P energy: -109.899 tors. eta vs tors. theta energy: -192.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2476.861739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.861739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.861739 (E_RNA) where: Base-Base interactions energy: -1750.001 where: short stacking energy: -728.082 Base-Backbone interact. energy: -5.303 local terms energy: -721.557292 where: bonds (distance) C4'-P energy: -131.494 bonds (distance) P-C4' energy: -156.559 flat angles C4'-P-C4' energy: -150.477 flat angles P-C4'-P energy: -99.324 tors. eta vs tors. theta energy: -183.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2369.212796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.212796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.212796 (E_RNA) where: Base-Base interactions energy: -1655.025 where: short stacking energy: -729.157 Base-Backbone interact. energy: -3.934 local terms energy: -710.254108 where: bonds (distance) C4'-P energy: -120.309 bonds (distance) P-C4' energy: -138.237 flat angles C4'-P-C4' energy: -160.459 flat angles P-C4'-P energy: -106.829 tors. eta vs tors. theta energy: -184.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2357.793312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.793312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.793312 (E_RNA) where: Base-Base interactions energy: -1687.975 where: short stacking energy: -703.360 Base-Backbone interact. energy: 1.000 local terms energy: -670.818265 where: bonds (distance) C4'-P energy: -125.798 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -165.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1981.180347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.180347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.180347 (E_RNA) where: Base-Base interactions energy: -1355.027 where: short stacking energy: -606.886 Base-Backbone interact. energy: 0.423 local terms energy: -626.576684 where: bonds (distance) C4'-P energy: -124.669 bonds (distance) P-C4' energy: -125.490 flat angles C4'-P-C4' energy: -157.377 flat angles P-C4'-P energy: -79.402 tors. eta vs tors. theta energy: -139.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1754.239800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.239800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.239800 (E_RNA) where: Base-Base interactions energy: -1162.567 where: short stacking energy: -501.364 Base-Backbone interact. energy: -2.407 local terms energy: -589.266297 where: bonds (distance) C4'-P energy: -111.184 bonds (distance) P-C4' energy: -126.332 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -98.609 tors. eta vs tors. theta energy: -106.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1396.476599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.476599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.476599 (E_RNA) where: Base-Base interactions energy: -891.175 where: short stacking energy: -391.307 Base-Backbone interact. energy: 4.249 local terms energy: -509.550614 where: bonds (distance) C4'-P energy: -132.161 bonds (distance) P-C4' energy: -124.462 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -70.908 tors. eta vs tors. theta energy: -57.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2967.468867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.468867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.468867 (E_RNA) where: Base-Base interactions energy: -2114.454 where: short stacking energy: -896.960 Base-Backbone interact. energy: -1.354 local terms energy: -851.660859 where: bonds (distance) C4'-P energy: -145.940 bonds (distance) P-C4' energy: -167.735 flat angles C4'-P-C4' energy: -186.338 flat angles P-C4'-P energy: -121.235 tors. eta vs tors. theta energy: -230.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2909.205080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.205080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.205080 (E_RNA) where: Base-Base interactions energy: -2044.765 where: short stacking energy: -845.641 Base-Backbone interact. energy: -3.130 local terms energy: -861.310406 where: bonds (distance) C4'-P energy: -161.106 bonds (distance) P-C4' energy: -158.914 flat angles C4'-P-C4' energy: -181.870 flat angles P-C4'-P energy: -135.214 tors. eta vs tors. theta energy: -224.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2772.100568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.100568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.100568 (E_RNA) where: Base-Base interactions energy: -1950.073 where: short stacking energy: -827.220 Base-Backbone interact. energy: -6.419 local terms energy: -815.609359 where: bonds (distance) C4'-P energy: -139.064 bonds (distance) P-C4' energy: -155.707 flat angles C4'-P-C4' energy: -173.889 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -224.962 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2586.501514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.501514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.501514 (E_RNA) where: Base-Base interactions energy: -1795.255 where: short stacking energy: -761.842 Base-Backbone interact. energy: 0.758 local terms energy: -792.004990 where: bonds (distance) C4'-P energy: -155.002 bonds (distance) P-C4' energy: -162.962 flat angles C4'-P-C4' energy: -175.348 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -193.453 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: 5, replica: 7 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2498.314997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.314997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.314997 (E_RNA) where: Base-Base interactions energy: -1744.667 where: short stacking energy: -721.192 Base-Backbone interact. energy: -6.027 local terms energy: -747.620464 where: bonds (distance) C4'-P energy: -149.034 bonds (distance) P-C4' energy: -154.981 flat angles C4'-P-C4' energy: -160.698 flat angles P-C4'-P energy: -108.100 tors. eta vs tors. theta energy: -174.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2375.408229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.408229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.408229 (E_RNA) where: Base-Base interactions energy: -1643.341 where: short stacking energy: -699.684 Base-Backbone interact. energy: -0.651 local terms energy: -731.416101 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -155.684 flat angles C4'-P-C4' energy: -161.690 flat angles P-C4'-P energy: -94.139 tors. eta vs tors. theta energy: -194.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2284.863064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.863064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.863064 (E_RNA) where: Base-Base interactions energy: -1641.535 where: short stacking energy: -674.458 Base-Backbone interact. energy: -1.235 local terms energy: -642.092858 where: bonds (distance) C4'-P energy: -103.064 bonds (distance) P-C4' energy: -133.437 flat angles C4'-P-C4' energy: -152.455 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -163.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1980.257501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.257501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.257501 (E_RNA) where: Base-Base interactions energy: -1372.288 where: short stacking energy: -611.082 Base-Backbone interact. energy: 2.348 local terms energy: -610.316809 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -130.535 flat angles C4'-P-C4' energy: -141.193 flat angles P-C4'-P energy: -81.958 tors. eta vs tors. theta energy: -132.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1873.595681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.595681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.595681 (E_RNA) where: Base-Base interactions energy: -1274.038 where: short stacking energy: -564.974 Base-Backbone interact. energy: -0.631 local terms energy: -598.926471 where: bonds (distance) C4'-P energy: -112.556 bonds (distance) P-C4' energy: -129.024 flat angles C4'-P-C4' energy: -144.654 flat angles P-C4'-P energy: -80.474 tors. eta vs tors. theta energy: -132.219 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: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1410.817690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.817690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.817690 (E_RNA) where: Base-Base interactions energy: -920.897 where: short stacking energy: -422.012 Base-Backbone interact. energy: 4.342 local terms energy: -494.262338 where: bonds (distance) C4'-P energy: -105.753 bonds (distance) P-C4' energy: -124.498 flat angles C4'-P-C4' energy: -124.043 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -64.256 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: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2975.345471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.345471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.345471 (E_RNA) where: Base-Base interactions energy: -2114.734 where: short stacking energy: -892.007 Base-Backbone interact. energy: -3.136 local terms energy: -857.475370 where: bonds (distance) C4'-P energy: -161.421 bonds (distance) P-C4' energy: -149.846 flat angles C4'-P-C4' energy: -188.590 flat angles P-C4'-P energy: -119.340 tors. eta vs tors. theta energy: -238.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2908.823695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.823695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.823695 (E_RNA) where: Base-Base interactions energy: -2095.494 where: short stacking energy: -864.543 Base-Backbone interact. energy: 2.637 local terms energy: -815.967424 where: bonds (distance) C4'-P energy: -146.600 bonds (distance) P-C4' energy: -161.785 flat angles C4'-P-C4' energy: -178.688 flat angles P-C4'-P energy: -108.593 tors. eta vs tors. theta energy: -220.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2747.966156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.966156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.966156 (E_RNA) where: Base-Base interactions energy: -1947.396 where: short stacking energy: -814.321 Base-Backbone interact. energy: 0.156 local terms energy: -800.726330 where: bonds (distance) C4'-P energy: -146.227 bonds (distance) P-C4' energy: -155.884 flat angles C4'-P-C4' energy: -175.579 flat angles P-C4'-P energy: -104.252 tors. eta vs tors. theta energy: -218.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2616.464116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.464116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.464116 (E_RNA) where: Base-Base interactions energy: -1858.705 where: short stacking energy: -777.252 Base-Backbone interact. energy: -1.595 local terms energy: -756.163210 where: bonds (distance) C4'-P energy: -139.190 bonds (distance) P-C4' energy: -145.525 flat angles C4'-P-C4' energy: -166.142 flat angles P-C4'-P energy: -117.726 tors. eta vs tors. theta energy: -187.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2508.290270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.290270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.290270 (E_RNA) where: Base-Base interactions energy: -1769.422 where: short stacking energy: -703.594 Base-Backbone interact. energy: -2.607 local terms energy: -736.260445 where: bonds (distance) C4'-P energy: -142.935 bonds (distance) P-C4' energy: -139.747 flat angles C4'-P-C4' energy: -181.405 flat angles P-C4'-P energy: -94.383 tors. eta vs tors. theta energy: -177.790 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2413.031377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.031377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.031377 (E_RNA) where: Base-Base interactions energy: -1681.174 where: short stacking energy: -736.457 Base-Backbone interact. energy: -0.886 local terms energy: -730.971930 where: bonds (distance) C4'-P energy: -128.035 bonds (distance) P-C4' energy: -142.364 flat angles C4'-P-C4' energy: -169.060 flat angles P-C4'-P energy: -106.945 tors. eta vs tors. theta energy: -184.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2363.970328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.970328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.970328 (E_RNA) where: Base-Base interactions energy: -1663.742 where: short stacking energy: -686.623 Base-Backbone interact. energy: 6.268 local terms energy: -706.495675 where: bonds (distance) C4'-P energy: -149.815 bonds (distance) P-C4' energy: -130.459 flat angles C4'-P-C4' energy: -168.776 flat angles P-C4'-P energy: -111.711 tors. eta vs tors. theta energy: -145.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1994.910101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.910101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.910101 (E_RNA) where: Base-Base interactions energy: -1364.734 where: short stacking energy: -571.279 Base-Backbone interact. energy: -0.256 local terms energy: -629.920516 where: bonds (distance) C4'-P energy: -132.270 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -128.028 flat angles P-C4'-P energy: -97.932 tors. eta vs tors. theta energy: -128.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1761.730142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.730142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.730142 (E_RNA) where: Base-Base interactions energy: -1201.744 where: short stacking energy: -493.921 Base-Backbone interact. energy: -4.912 local terms energy: -555.073215 where: bonds (distance) C4'-P energy: -132.685 bonds (distance) P-C4' energy: -125.385 flat angles C4'-P-C4' energy: -119.521 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -94.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1432.706972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.706972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.706972 (E_RNA) where: Base-Base interactions energy: -922.253 where: short stacking energy: -446.357 Base-Backbone interact. energy: -1.031 local terms energy: -509.422689 where: bonds (distance) C4'-P energy: -111.437 bonds (distance) P-C4' energy: -119.997 flat angles C4'-P-C4' energy: -126.699 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -68.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2996.988834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.988834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.988834 (E_RNA) where: Base-Base interactions energy: -2159.882 where: short stacking energy: -886.466 Base-Backbone interact. energy: -2.027 local terms energy: -835.079830 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -185.233 flat angles P-C4'-P energy: -121.549 tors. eta vs tors. theta energy: -223.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2927.204529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.204529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.204529 (E_RNA) where: Base-Base interactions energy: -2125.138 where: short stacking energy: -872.498 Base-Backbone interact. energy: -3.110 local terms energy: -798.956366 where: bonds (distance) C4'-P energy: -141.341 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -180.277 flat angles P-C4'-P energy: -113.509 tors. eta vs tors. theta energy: -225.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2747.477964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.477964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.477964 (E_RNA) where: Base-Base interactions energy: -1939.453 where: short stacking energy: -817.607 Base-Backbone interact. energy: -2.352 local terms energy: -805.672545 where: bonds (distance) C4'-P energy: -142.525 bonds (distance) P-C4' energy: -153.376 flat angles C4'-P-C4' energy: -184.000 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -213.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2678.951204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.951204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.951204 (E_RNA) where: Base-Base interactions energy: -1887.814 where: short stacking energy: -803.997 Base-Backbone interact. energy: -5.225 local terms energy: -785.911575 where: bonds (distance) C4'-P energy: -145.659 bonds (distance) P-C4' energy: -153.106 flat angles C4'-P-C4' energy: -181.146 flat angles P-C4'-P energy: -109.552 tors. eta vs tors. theta energy: -196.449 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: 7 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2500.902754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.902754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.902754 (E_RNA) where: Base-Base interactions energy: -1790.281 where: short stacking energy: -751.710 Base-Backbone interact. energy: -0.149 local terms energy: -710.472245 where: bonds (distance) C4'-P energy: -131.512 bonds (distance) P-C4' energy: -134.315 flat angles C4'-P-C4' energy: -155.916 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -183.129 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: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2370.367688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.367688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.367688 (E_RNA) where: Base-Base interactions energy: -1657.668 where: short stacking energy: -639.665 Base-Backbone interact. energy: -5.596 local terms energy: -707.103677 where: bonds (distance) C4'-P energy: -144.737 bonds (distance) P-C4' energy: -143.774 flat angles C4'-P-C4' energy: -159.644 flat angles P-C4'-P energy: -109.797 tors. eta vs tors. theta energy: -149.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2281.945409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.945409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.945409 (E_RNA) where: Base-Base interactions energy: -1616.829 where: short stacking energy: -683.141 Base-Backbone interact. energy: -2.939 local terms energy: -662.177161 where: bonds (distance) C4'-P energy: -115.028 bonds (distance) P-C4' energy: -131.354 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -87.260 tors. eta vs tors. theta energy: -178.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -2022.535016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.535016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.535016 (E_RNA) where: Base-Base interactions energy: -1357.099 where: short stacking energy: -618.935 Base-Backbone interact. energy: -4.988 local terms energy: -660.447464 where: bonds (distance) C4'-P energy: -129.728 bonds (distance) P-C4' energy: -131.650 flat angles C4'-P-C4' energy: -157.977 flat angles P-C4'-P energy: -96.718 tors. eta vs tors. theta energy: -144.375 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1757.931557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.931557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.931557 (E_RNA) where: Base-Base interactions energy: -1203.440 where: short stacking energy: -537.449 Base-Backbone interact. energy: 0.924 local terms energy: -555.415948 where: bonds (distance) C4'-P energy: -116.731 bonds (distance) P-C4' energy: -110.368 flat angles C4'-P-C4' energy: -127.779 flat angles P-C4'-P energy: -98.561 tors. eta vs tors. theta energy: -101.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1515.848219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.848219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.848219 (E_RNA) where: Base-Base interactions energy: -1015.244 where: short stacking energy: -447.341 Base-Backbone interact. energy: -3.887 local terms energy: -496.718104 where: bonds (distance) C4'-P energy: -134.198 bonds (distance) P-C4' energy: -129.549 flat angles C4'-P-C4' energy: -108.383 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -68.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2988.522517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.522517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.522517 (E_RNA) where: Base-Base interactions energy: -2147.581 where: short stacking energy: -877.492 Base-Backbone interact. energy: -1.229 local terms energy: -839.711877 where: bonds (distance) C4'-P energy: -152.069 bonds (distance) P-C4' energy: -154.239 flat angles C4'-P-C4' energy: -180.204 flat angles P-C4'-P energy: -121.269 tors. eta vs tors. theta energy: -231.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2916.435841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.435841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.435841 (E_RNA) where: Base-Base interactions energy: -2070.917 where: short stacking energy: -862.468 Base-Backbone interact. energy: -2.174 local terms energy: -843.344649 where: bonds (distance) C4'-P energy: -157.479 bonds (distance) P-C4' energy: -156.843 flat angles C4'-P-C4' energy: -197.383 flat angles P-C4'-P energy: -119.843 tors. eta vs tors. theta energy: -211.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2727.532588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.532588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.532588 (E_RNA) where: Base-Base interactions energy: -1906.329 where: short stacking energy: -832.198 Base-Backbone interact. energy: -3.498 local terms energy: -817.706373 where: bonds (distance) C4'-P energy: -148.140 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -178.832 flat angles P-C4'-P energy: -119.302 tors. eta vs tors. theta energy: -226.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2611.617379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.617379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.617379 (E_RNA) where: Base-Base interactions energy: -1839.300 where: short stacking energy: -789.602 Base-Backbone interact. energy: -3.552 local terms energy: -768.765915 where: bonds (distance) C4'-P energy: -136.861 bonds (distance) P-C4' energy: -151.752 flat angles C4'-P-C4' energy: -176.411 flat angles P-C4'-P energy: -102.740 tors. eta vs tors. theta energy: -201.003 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: 7 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2496.698675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.698675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.698675 (E_RNA) where: Base-Base interactions energy: -1759.127 where: short stacking energy: -720.909 Base-Backbone interact. energy: -1.633 local terms energy: -735.939097 where: bonds (distance) C4'-P energy: -137.614 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -156.502 flat angles P-C4'-P energy: -108.400 tors. eta vs tors. theta energy: -180.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2370.841618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.841618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.841618 (E_RNA) where: Base-Base interactions energy: -1687.114 where: short stacking energy: -693.896 Base-Backbone interact. energy: 1.891 local terms energy: -685.619068 where: bonds (distance) C4'-P energy: -129.191 bonds (distance) P-C4' energy: -128.533 flat angles C4'-P-C4' energy: -162.856 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -160.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2301.580568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.580568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.580568 (E_RNA) where: Base-Base interactions energy: -1598.850 where: short stacking energy: -679.711 Base-Backbone interact. energy: -0.131 local terms energy: -702.599144 where: bonds (distance) C4'-P energy: -141.530 bonds (distance) P-C4' energy: -133.923 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -81.701 tors. eta vs tors. theta energy: -181.560 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: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1992.144153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.144153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.144153 (E_RNA) where: Base-Base interactions energy: -1412.159 where: short stacking energy: -588.270 Base-Backbone interact. energy: -1.009 local terms energy: -578.976654 where: bonds (distance) C4'-P energy: -102.966 bonds (distance) P-C4' energy: -124.085 flat angles C4'-P-C4' energy: -149.677 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -131.804 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: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1706.146456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.146456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.146456 (E_RNA) where: Base-Base interactions energy: -1172.702 where: short stacking energy: -532.848 Base-Backbone interact. energy: -0.506 local terms energy: -532.938734 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -118.677 flat angles C4'-P-C4' energy: -116.594 flat angles P-C4'-P energy: -79.498 tors. eta vs tors. theta energy: -97.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1480.022279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.022279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.022279 (E_RNA) where: Base-Base interactions energy: -997.069 where: short stacking energy: -427.790 Base-Backbone interact. energy: 1.297 local terms energy: -484.249560 where: bonds (distance) C4'-P energy: -114.946 bonds (distance) P-C4' energy: -121.079 flat angles C4'-P-C4' energy: -125.930 flat angles P-C4'-P energy: -83.255 tors. eta vs tors. theta energy: -39.040 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: 185 Temperature: 0.900000 Total energy: -3010.510163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.510163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.510163 (E_RNA) where: Base-Base interactions energy: -2159.726 where: short stacking energy: -891.284 Base-Backbone interact. energy: -2.952 local terms energy: -847.832295 where: bonds (distance) C4'-P energy: -155.718 bonds (distance) P-C4' energy: -160.865 flat angles C4'-P-C4' energy: -186.666 flat angles P-C4'-P energy: -117.191 tors. eta vs tors. theta energy: -227.392 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: 2, replica: 2 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2939.395734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.395734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.395734 (E_RNA) where: Base-Base interactions energy: -2096.059 where: short stacking energy: -864.267 Base-Backbone interact. energy: -4.466 local terms energy: -838.871017 where: bonds (distance) C4'-P energy: -153.248 bonds (distance) P-C4' energy: -147.990 flat angles C4'-P-C4' energy: -183.932 flat angles P-C4'-P energy: -116.072 tors. eta vs tors. theta energy: -237.629 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: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2790.745616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.745616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.745616 (E_RNA) where: Base-Base interactions energy: -1982.598 where: short stacking energy: -841.377 Base-Backbone interact. energy: -1.384 local terms energy: -806.763636 where: bonds (distance) C4'-P energy: -151.592 bonds (distance) P-C4' energy: -136.613 flat angles C4'-P-C4' energy: -164.607 flat angles P-C4'-P energy: -119.228 tors. eta vs tors. theta energy: -234.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2623.808883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.808883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.808883 (E_RNA) where: Base-Base interactions energy: -1829.099 where: short stacking energy: -761.052 Base-Backbone interact. energy: 1.688 local terms energy: -796.397524 where: bonds (distance) C4'-P energy: -144.305 bonds (distance) P-C4' energy: -162.508 flat angles C4'-P-C4' energy: -186.941 flat angles P-C4'-P energy: -109.294 tors. eta vs tors. theta energy: -193.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2541.003721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.003721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.003721 (E_RNA) where: Base-Base interactions energy: -1805.940 where: short stacking energy: -777.692 Base-Backbone interact. energy: -0.808 local terms energy: -734.256019 where: bonds (distance) C4'-P energy: -139.491 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -159.073 flat angles P-C4'-P energy: -99.382 tors. eta vs tors. theta energy: -194.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2350.112145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.112145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.112145 (E_RNA) where: Base-Base interactions energy: -1651.679 where: short stacking energy: -693.782 Base-Backbone interact. energy: -2.161 local terms energy: -696.272969 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -131.010 flat angles C4'-P-C4' energy: -147.851 flat angles P-C4'-P energy: -107.458 tors. eta vs tors. theta energy: -166.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2332.084169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.084169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.084169 (E_RNA) where: Base-Base interactions energy: -1622.998 where: short stacking energy: -723.273 Base-Backbone interact. energy: -0.027 local terms energy: -709.059481 where: bonds (distance) C4'-P energy: -137.246 bonds (distance) P-C4' energy: -132.578 flat angles C4'-P-C4' energy: -159.979 flat angles P-C4'-P energy: -99.904 tors. eta vs tors. theta energy: -179.353 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: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1979.247855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.247855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.247855 (E_RNA) where: Base-Base interactions energy: -1326.286 where: short stacking energy: -586.944 Base-Backbone interact. energy: 2.621 local terms energy: -655.583143 where: bonds (distance) C4'-P energy: -130.360 bonds (distance) P-C4' energy: -142.864 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -97.496 tors. eta vs tors. theta energy: -132.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1772.203442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.203442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.203442 (E_RNA) where: Base-Base interactions energy: -1194.015 where: short stacking energy: -525.526 Base-Backbone interact. energy: -3.246 local terms energy: -574.942113 where: bonds (distance) C4'-P energy: -133.873 bonds (distance) P-C4' energy: -133.706 flat angles C4'-P-C4' energy: -132.392 flat angles P-C4'-P energy: -61.705 tors. eta vs tors. theta energy: -113.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1543.529753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.529753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.529753 (E_RNA) where: Base-Base interactions energy: -1008.267 where: short stacking energy: -456.744 Base-Backbone interact. energy: 3.786 local terms energy: -539.048129 where: bonds (distance) C4'-P energy: -123.995 bonds (distance) P-C4' energy: -133.858 flat angles C4'-P-C4' energy: -119.807 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: -86.849 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: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3012.973183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.973183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.973183 (E_RNA) where: Base-Base interactions energy: -2152.234 where: short stacking energy: -884.553 Base-Backbone interact. energy: -2.639 local terms energy: -858.100180 where: bonds (distance) C4'-P energy: -154.698 bonds (distance) P-C4' energy: -169.821 flat angles C4'-P-C4' energy: -181.354 flat angles P-C4'-P energy: -120.057 tors. eta vs tors. theta energy: -232.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2895.265915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.265915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.265915 (E_RNA) where: Base-Base interactions energy: -2068.216 where: short stacking energy: -856.658 Base-Backbone interact. energy: -5.174 local terms energy: -821.875829 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -148.941 flat angles C4'-P-C4' energy: -186.120 flat angles P-C4'-P energy: -113.980 tors. eta vs tors. theta energy: -228.184 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: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2764.568339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.568339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.568339 (E_RNA) where: Base-Base interactions energy: -1937.182 where: short stacking energy: -831.646 Base-Backbone interact. energy: -2.692 local terms energy: -824.694124 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -154.669 flat angles C4'-P-C4' energy: -164.789 flat angles P-C4'-P energy: -118.648 tors. eta vs tors. theta energy: -238.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2620.699724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.699724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.699724 (E_RNA) where: Base-Base interactions energy: -1853.117 where: short stacking energy: -763.191 Base-Backbone interact. energy: -5.839 local terms energy: -761.743567 where: bonds (distance) C4'-P energy: -148.361 bonds (distance) P-C4' energy: -143.244 flat angles C4'-P-C4' energy: -180.243 flat angles P-C4'-P energy: -98.732 tors. eta vs tors. theta energy: -191.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2523.897287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.897287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.897287 (E_RNA) where: Base-Base interactions energy: -1803.166 where: short stacking energy: -777.719 Base-Backbone interact. energy: -2.912 local terms energy: -717.818682 where: bonds (distance) C4'-P energy: -146.579 bonds (distance) P-C4' energy: -131.052 flat angles C4'-P-C4' energy: -163.971 flat angles P-C4'-P energy: -90.646 tors. eta vs tors. theta energy: -185.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2367.324179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.324179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.324179 (E_RNA) where: Base-Base interactions energy: -1667.140 where: short stacking energy: -678.238 Base-Backbone interact. energy: -3.877 local terms energy: -696.307547 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -152.189 flat angles C4'-P-C4' energy: -148.505 flat angles P-C4'-P energy: -90.632 tors. eta vs tors. theta energy: -170.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2328.006107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.006107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.006107 (E_RNA) where: Base-Base interactions energy: -1603.238 where: short stacking energy: -711.180 Base-Backbone interact. energy: -2.976 local terms energy: -721.792143 where: bonds (distance) C4'-P energy: -124.915 bonds (distance) P-C4' energy: -123.561 flat angles C4'-P-C4' energy: -158.367 flat angles P-C4'-P energy: -121.829 tors. eta vs tors. theta energy: -193.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1896.278132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.278132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.278132 (E_RNA) where: Base-Base interactions energy: -1309.923 where: short stacking energy: -574.691 Base-Backbone interact. energy: -1.247 local terms energy: -585.107897 where: bonds (distance) C4'-P energy: -111.905 bonds (distance) P-C4' energy: -119.793 flat angles C4'-P-C4' energy: -130.385 flat angles P-C4'-P energy: -89.752 tors. eta vs tors. theta energy: -133.274 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1787.989482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.989482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.989482 (E_RNA) where: Base-Base interactions energy: -1205.233 where: short stacking energy: -515.177 Base-Backbone interact. energy: 5.545 local terms energy: -588.302004 where: bonds (distance) C4'-P energy: -135.961 bonds (distance) P-C4' energy: -141.331 flat angles C4'-P-C4' energy: -132.586 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -105.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1589.453462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.453462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.453462 (E_RNA) where: Base-Base interactions energy: -1058.375 where: short stacking energy: -492.878 Base-Backbone interact. energy: -4.352 local terms energy: -526.726213 where: bonds (distance) C4'-P energy: -116.175 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -118.249 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -83.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3018.272537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.272537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.272537 (E_RNA) where: Base-Base interactions energy: -2173.230 where: short stacking energy: -886.722 Base-Backbone interact. energy: -2.496 local terms energy: -842.546189 where: bonds (distance) C4'-P energy: -160.837 bonds (distance) P-C4' energy: -150.914 flat angles C4'-P-C4' energy: -188.345 flat angles P-C4'-P energy: -116.117 tors. eta vs tors. theta energy: -226.333 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: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2905.589386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.589386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.589386 (E_RNA) where: Base-Base interactions energy: -2072.986 where: short stacking energy: -861.999 Base-Backbone interact. energy: -4.436 local terms energy: -828.166690 where: bonds (distance) C4'-P energy: -142.423 bonds (distance) P-C4' energy: -157.737 flat angles C4'-P-C4' energy: -185.739 flat angles P-C4'-P energy: -116.957 tors. eta vs tors. theta energy: -225.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2751.744617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.744617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.744617 (E_RNA) where: Base-Base interactions energy: -1911.014 where: short stacking energy: -839.153 Base-Backbone interact. energy: -3.138 local terms energy: -837.592266 where: bonds (distance) C4'-P energy: -149.659 bonds (distance) P-C4' energy: -164.337 flat angles C4'-P-C4' energy: -176.287 flat angles P-C4'-P energy: -121.592 tors. eta vs tors. theta energy: -225.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2630.249829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.249829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.249829 (E_RNA) where: Base-Base interactions energy: -1834.397 where: short stacking energy: -751.587 Base-Backbone interact. energy: -2.838 local terms energy: -793.015301 where: bonds (distance) C4'-P energy: -154.789 bonds (distance) P-C4' energy: -142.652 flat angles C4'-P-C4' energy: -177.712 flat angles P-C4'-P energy: -121.109 tors. eta vs tors. theta energy: -196.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2616.884552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.884552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.884552 (E_RNA) where: Base-Base interactions energy: -1843.826 where: short stacking energy: -785.605 Base-Backbone interact. energy: -0.408 local terms energy: -772.651397 where: bonds (distance) C4'-P energy: -148.237 bonds (distance) P-C4' energy: -137.544 flat angles C4'-P-C4' energy: -163.746 flat angles P-C4'-P energy: -116.377 tors. eta vs tors. theta energy: -206.748 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: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2356.722840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.722840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.722840 (E_RNA) where: Base-Base interactions energy: -1660.616 where: short stacking energy: -707.208 Base-Backbone interact. energy: 0.731 local terms energy: -696.837561 where: bonds (distance) C4'-P energy: -130.676 bonds (distance) P-C4' energy: -138.438 flat angles C4'-P-C4' energy: -155.179 flat angles P-C4'-P energy: -104.887 tors. eta vs tors. theta energy: -167.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2298.080610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.080610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.080610 (E_RNA) where: Base-Base interactions energy: -1608.078 where: short stacking energy: -707.093 Base-Backbone interact. energy: 5.273 local terms energy: -695.275963 where: bonds (distance) C4'-P energy: -123.416 bonds (distance) P-C4' energy: -136.930 flat angles C4'-P-C4' energy: -154.604 flat angles P-C4'-P energy: -99.644 tors. eta vs tors. theta energy: -180.682 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: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -2001.885742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.885742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.885742 (E_RNA) where: Base-Base interactions energy: -1346.926 where: short stacking energy: -564.762 Base-Backbone interact. energy: -3.148 local terms energy: -651.811855 where: bonds (distance) C4'-P energy: -125.623 bonds (distance) P-C4' energy: -141.721 flat angles C4'-P-C4' energy: -141.704 flat angles P-C4'-P energy: -92.802 tors. eta vs tors. theta energy: -149.963 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1766.082684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.082684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.082684 (E_RNA) where: Base-Base interactions energy: -1211.295 where: short stacking energy: -522.218 Base-Backbone interact. energy: -3.245 local terms energy: -551.542628 where: bonds (distance) C4'-P energy: -104.187 bonds (distance) P-C4' energy: -115.070 flat angles C4'-P-C4' energy: -133.113 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -111.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1570.786606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.786606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.786606 (E_RNA) where: Base-Base interactions energy: -1017.441 where: short stacking energy: -462.404 Base-Backbone interact. energy: 0.596 local terms energy: -553.941829 where: bonds (distance) C4'-P energy: -112.676 bonds (distance) P-C4' energy: -135.575 flat angles C4'-P-C4' energy: -127.997 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -97.009 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: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2993.129843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.129843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.129843 (E_RNA) where: Base-Base interactions energy: -2160.879 where: short stacking energy: -872.463 Base-Backbone interact. energy: -4.385 local terms energy: -827.865540 where: bonds (distance) C4'-P energy: -163.099 bonds (distance) P-C4' energy: -157.211 flat angles C4'-P-C4' energy: -167.776 flat angles P-C4'-P energy: -105.322 tors. eta vs tors. theta energy: -234.457 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: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2948.712812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.712812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.712812 (E_RNA) where: Base-Base interactions energy: -2106.439 where: short stacking energy: -901.700 Base-Backbone interact. energy: -1.170 local terms energy: -841.103234 where: bonds (distance) C4'-P energy: -148.014 bonds (distance) P-C4' energy: -164.895 flat angles C4'-P-C4' energy: -170.256 flat angles P-C4'-P energy: -119.576 tors. eta vs tors. theta energy: -238.362 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: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2741.654942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.654942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.654942 (E_RNA) where: Base-Base interactions energy: -1911.361 where: short stacking energy: -839.377 Base-Backbone interact. energy: -3.391 local terms energy: -826.903393 where: bonds (distance) C4'-P energy: -139.056 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -172.253 flat angles P-C4'-P energy: -115.778 tors. eta vs tors. theta energy: -243.382 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2647.290234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.290234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.290234 (E_RNA) where: Base-Base interactions energy: -1885.178 where: short stacking energy: -774.728 Base-Backbone interact. energy: -3.738 local terms energy: -758.373920 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -138.730 flat angles C4'-P-C4' energy: -165.594 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -203.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2564.428539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.428539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.428539 (E_RNA) where: Base-Base interactions energy: -1814.022 where: short stacking energy: -745.661 Base-Backbone interact. energy: -2.568 local terms energy: -747.838427 where: bonds (distance) C4'-P energy: -142.641 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -165.514 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -201.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2372.016098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.016098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.016098 (E_RNA) where: Base-Base interactions energy: -1706.779 where: short stacking energy: -697.732 Base-Backbone interact. energy: -1.146 local terms energy: -664.090514 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -127.604 flat angles C4'-P-C4' energy: -159.040 flat angles P-C4'-P energy: -88.318 tors. eta vs tors. theta energy: -175.919 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: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2312.175085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.175085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.175085 (E_RNA) where: Base-Base interactions energy: -1635.629 where: short stacking energy: -692.695 Base-Backbone interact. energy: -2.842 local terms energy: -673.703683 where: bonds (distance) C4'-P energy: -135.000 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -143.259 flat angles P-C4'-P energy: -77.769 tors. eta vs tors. theta energy: -174.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1982.650731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.650731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.650731 (E_RNA) where: Base-Base interactions energy: -1385.903 where: short stacking energy: -612.333 Base-Backbone interact. energy: 0.535 local terms energy: -597.282815 where: bonds (distance) C4'-P energy: -106.981 bonds (distance) P-C4' energy: -133.704 flat angles C4'-P-C4' energy: -144.497 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -133.023 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1732.108947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.108947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.108947 (E_RNA) where: Base-Base interactions energy: -1177.851 where: short stacking energy: -514.718 Base-Backbone interact. energy: 5.285 local terms energy: -559.542593 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -114.744 flat angles C4'-P-C4' energy: -127.218 flat angles P-C4'-P energy: -72.580 tors. eta vs tors. theta energy: -103.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1577.010830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.010830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.010830 (E_RNA) where: Base-Base interactions energy: -1080.721 where: short stacking energy: -489.088 Base-Backbone interact. energy: 0.204 local terms energy: -496.493185 where: bonds (distance) C4'-P energy: -104.973 bonds (distance) P-C4' energy: -117.282 flat angles C4'-P-C4' energy: -122.570 flat angles P-C4'-P energy: -76.628 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: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3013.067645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.067645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.067645 (E_RNA) where: Base-Base interactions energy: -2168.179 where: short stacking energy: -909.664 Base-Backbone interact. energy: -0.080 local terms energy: -844.809266 where: bonds (distance) C4'-P energy: -161.585 bonds (distance) P-C4' energy: -154.690 flat angles C4'-P-C4' energy: -179.242 flat angles P-C4'-P energy: -115.205 tors. eta vs tors. theta energy: -234.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2938.828552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.828552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.828552 (E_RNA) where: Base-Base interactions energy: -2109.567 where: short stacking energy: -910.595 Base-Backbone interact. energy: -0.620 local terms energy: -828.641122 where: bonds (distance) C4'-P energy: -150.028 bonds (distance) P-C4' energy: -146.571 flat angles C4'-P-C4' energy: -174.063 flat angles P-C4'-P energy: -120.643 tors. eta vs tors. theta energy: -237.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2763.314239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.314239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.314239 (E_RNA) where: Base-Base interactions energy: -1947.341 where: short stacking energy: -859.951 Base-Backbone interact. energy: -1.771 local terms energy: -814.202227 where: bonds (distance) C4'-P energy: -147.412 bonds (distance) P-C4' energy: -138.451 flat angles C4'-P-C4' energy: -175.554 flat angles P-C4'-P energy: -114.534 tors. eta vs tors. theta energy: -238.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2637.943891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.943891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.943891 (E_RNA) where: Base-Base interactions energy: -1875.065 where: short stacking energy: -777.434 Base-Backbone interact. energy: -0.170 local terms energy: -762.708232 where: bonds (distance) C4'-P energy: -136.670 bonds (distance) P-C4' energy: -150.310 flat angles C4'-P-C4' energy: -170.451 flat angles P-C4'-P energy: -109.921 tors. eta vs tors. theta energy: -195.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2485.610103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.610103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.610103 (E_RNA) where: Base-Base interactions energy: -1761.412 where: short stacking energy: -740.042 Base-Backbone interact. energy: -0.849 local terms energy: -723.349573 where: bonds (distance) C4'-P energy: -138.041 bonds (distance) P-C4' energy: -134.021 flat angles C4'-P-C4' energy: -155.178 flat angles P-C4'-P energy: -108.338 tors. eta vs tors. theta energy: -187.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2441.320901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.320901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.320901 (E_RNA) where: Base-Base interactions energy: -1719.933 where: short stacking energy: -700.508 Base-Backbone interact. energy: -6.038 local terms energy: -715.349223 where: bonds (distance) C4'-P energy: -137.479 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -155.291 flat angles P-C4'-P energy: -99.161 tors. eta vs tors. theta energy: -167.252 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: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2324.183280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.183280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.183280 (E_RNA) where: Base-Base interactions energy: -1664.343 where: short stacking energy: -680.320 Base-Backbone interact. energy: -0.288 local terms energy: -659.552841 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -123.840 flat angles C4'-P-C4' energy: -160.160 flat angles P-C4'-P energy: -93.281 tors. eta vs tors. theta energy: -164.213 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: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -2049.567882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.567882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.567882 (E_RNA) where: Base-Base interactions energy: -1387.252 where: short stacking energy: -582.546 Base-Backbone interact. energy: 2.934 local terms energy: -665.249288 where: bonds (distance) C4'-P energy: -127.368 bonds (distance) P-C4' energy: -143.073 flat angles C4'-P-C4' energy: -159.398 flat angles P-C4'-P energy: -92.711 tors. eta vs tors. theta energy: -142.699 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1722.320574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.320574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.320574 (E_RNA) where: Base-Base interactions energy: -1148.936 where: short stacking energy: -482.666 Base-Backbone interact. energy: -3.923 local terms energy: -569.460787 where: bonds (distance) C4'-P energy: -121.927 bonds (distance) P-C4' energy: -128.408 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -95.447 tors. eta vs tors. theta energy: -95.659 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: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1495.962256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.962256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.962256 (E_RNA) where: Base-Base interactions energy: -993.366 where: short stacking energy: -426.245 Base-Backbone interact. energy: 5.079 local terms energy: -507.675445 where: bonds (distance) C4'-P energy: -118.969 bonds (distance) P-C4' energy: -122.578 flat angles C4'-P-C4' energy: -111.208 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -69.283 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: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3029.098222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.098222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.098222 (E_RNA) where: Base-Base interactions energy: -2161.258 where: short stacking energy: -892.443 Base-Backbone interact. energy: -3.354 local terms energy: -864.486355 where: bonds (distance) C4'-P energy: -177.485 bonds (distance) P-C4' energy: -161.137 flat angles C4'-P-C4' energy: -178.908 flat angles P-C4'-P energy: -111.971 tors. eta vs tors. theta energy: -234.985 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: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2920.899677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.899677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.899677 (E_RNA) where: Base-Base interactions energy: -2098.348 where: short stacking energy: -878.474 Base-Backbone interact. energy: -1.283 local terms energy: -821.268737 where: bonds (distance) C4'-P energy: -146.533 bonds (distance) P-C4' energy: -153.000 flat angles C4'-P-C4' energy: -170.955 flat angles P-C4'-P energy: -117.401 tors. eta vs tors. theta energy: -233.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2753.824103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.824103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.824103 (E_RNA) where: Base-Base interactions energy: -1931.650 where: short stacking energy: -853.451 Base-Backbone interact. energy: -3.734 local terms energy: -818.439498 where: bonds (distance) C4'-P energy: -134.770 bonds (distance) P-C4' energy: -164.373 flat angles C4'-P-C4' energy: -176.478 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -238.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2611.506449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.506449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.506449 (E_RNA) where: Base-Base interactions energy: -1858.925 where: short stacking energy: -760.181 Base-Backbone interact. energy: 0.205 local terms energy: -752.786868 where: bonds (distance) C4'-P energy: -145.762 bonds (distance) P-C4' energy: -135.411 flat angles C4'-P-C4' energy: -171.921 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -191.130 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: 5, replica: 7 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2526.162445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.162445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.162445 (E_RNA) where: Base-Base interactions energy: -1796.854 where: short stacking energy: -779.549 Base-Backbone interact. energy: -4.951 local terms energy: -724.357234 where: bonds (distance) C4'-P energy: -124.180 bonds (distance) P-C4' energy: -136.694 flat angles C4'-P-C4' energy: -160.595 flat angles P-C4'-P energy: -107.975 tors. eta vs tors. theta energy: -194.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2350.508476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.508476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.508476 (E_RNA) where: Base-Base interactions energy: -1700.720 where: short stacking energy: -654.721 Base-Backbone interact. energy: 3.568 local terms energy: -653.356618 where: bonds (distance) C4'-P energy: -127.026 bonds (distance) P-C4' energy: -124.190 flat angles C4'-P-C4' energy: -155.278 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -149.436 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: 190 Temperature: 1.200000 Total energy: -2299.771693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.771693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.771693 (E_RNA) where: Base-Base interactions energy: -1611.348 where: short stacking energy: -716.942 Base-Backbone interact. energy: -3.561 local terms energy: -684.862523 where: bonds (distance) C4'-P energy: -136.697 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -165.501 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -171.284 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: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -2138.210725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.210725 (E_RNA) where: Base-Base interactions energy: -1512.537 where: short stacking energy: -636.539 Base-Backbone interact. energy: -4.805 local terms energy: -620.868406 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -120.331 flat angles C4'-P-C4' energy: -155.670 flat angles P-C4'-P energy: -82.429 tors. eta vs tors. theta energy: -148.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1627.082167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.082167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.082167 (E_RNA) where: Base-Base interactions energy: -1096.344 where: short stacking energy: -470.680 Base-Backbone interact. energy: 2.415 local terms energy: -533.153109 where: bonds (distance) C4'-P energy: -113.019 bonds (distance) P-C4' energy: -135.789 flat angles C4'-P-C4' energy: -134.601 flat angles P-C4'-P energy: -65.753 tors. eta vs tors. theta energy: -83.990 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: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1418.272836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.272836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.272836 (E_RNA) where: Base-Base interactions energy: -930.759 where: short stacking energy: -431.234 Base-Backbone interact. energy: 0.230 local terms energy: -487.743402 where: bonds (distance) C4'-P energy: -117.579 bonds (distance) P-C4' energy: -142.148 flat angles C4'-P-C4' energy: -120.220 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -49.232 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: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3011.258375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.258375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.258375 (E_RNA) where: Base-Base interactions energy: -2154.770 where: short stacking energy: -905.817 Base-Backbone interact. energy: -2.825 local terms energy: -853.663991 where: bonds (distance) C4'-P energy: -146.948 bonds (distance) P-C4' energy: -154.811 flat angles C4'-P-C4' energy: -180.318 flat angles P-C4'-P energy: -123.681 tors. eta vs tors. theta energy: -247.906 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: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2911.748603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.748603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.748603 (E_RNA) where: Base-Base interactions energy: -2036.760 where: short stacking energy: -862.116 Base-Backbone interact. energy: -3.749 local terms energy: -871.239296 where: bonds (distance) C4'-P energy: -155.304 bonds (distance) P-C4' energy: -160.724 flat angles C4'-P-C4' energy: -187.765 flat angles P-C4'-P energy: -128.678 tors. eta vs tors. theta energy: -238.768 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: 191 Temperature: 1.000000 Total energy: -2756.803278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.803278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.803278 (E_RNA) where: Base-Base interactions energy: -1960.635 where: short stacking energy: -859.849 Base-Backbone interact. energy: 1.723 local terms energy: -797.891433 where: bonds (distance) C4'-P energy: -135.264 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -167.664 flat angles P-C4'-P energy: -102.281 tors. eta vs tors. theta energy: -230.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2624.507546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.507546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.507546 (E_RNA) where: Base-Base interactions energy: -1841.855 where: short stacking energy: -817.139 Base-Backbone interact. energy: -2.606 local terms energy: -780.046926 where: bonds (distance) C4'-P energy: -145.849 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -178.066 flat angles P-C4'-P energy: -104.490 tors. eta vs tors. theta energy: -206.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2565.284933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.284933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.284933 (E_RNA) where: Base-Base interactions energy: -1821.434 where: short stacking energy: -757.741 Base-Backbone interact. energy: -2.491 local terms energy: -741.359367 where: bonds (distance) C4'-P energy: -147.783 bonds (distance) P-C4' energy: -129.124 flat angles C4'-P-C4' energy: -165.903 flat angles P-C4'-P energy: -109.644 tors. eta vs tors. theta energy: -188.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2403.982678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.982678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.982678 (E_RNA) where: Base-Base interactions energy: -1704.494 where: short stacking energy: -674.024 Base-Backbone interact. energy: -1.428 local terms energy: -698.060674 where: bonds (distance) C4'-P energy: -133.465 bonds (distance) P-C4' energy: -121.860 flat angles C4'-P-C4' energy: -165.772 flat angles P-C4'-P energy: -103.522 tors. eta vs tors. theta energy: -173.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2285.224951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.224951 (E_RNA) where: Base-Base interactions energy: -1594.584 where: short stacking energy: -693.902 Base-Backbone interact. energy: -1.049 local terms energy: -689.591915 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -120.980 flat angles C4'-P-C4' energy: -170.480 flat angles P-C4'-P energy: -99.658 tors. eta vs tors. theta energy: -178.796 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: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -2043.711659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.711659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.711659 (E_RNA) where: Base-Base interactions energy: -1419.270 where: short stacking energy: -570.420 Base-Backbone interact. energy: -2.320 local terms energy: -622.120930 where: bonds (distance) C4'-P energy: -138.436 bonds (distance) P-C4' energy: -137.382 flat angles C4'-P-C4' energy: -145.563 flat angles P-C4'-P energy: -77.620 tors. eta vs tors. theta energy: -123.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1519.353986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.353986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.353986 (E_RNA) where: Base-Base interactions energy: -932.252 where: short stacking energy: -430.537 Base-Backbone interact. energy: -1.115 local terms energy: -585.987046 where: bonds (distance) C4'-P energy: -132.692 bonds (distance) P-C4' energy: -156.368 flat angles C4'-P-C4' energy: -116.273 flat angles P-C4'-P energy: -103.286 tors. eta vs tors. theta energy: -77.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1421.449824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.449824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.449824 (E_RNA) where: Base-Base interactions energy: -937.519 where: short stacking energy: -445.686 Base-Backbone interact. energy: -1.611 local terms energy: -482.320088 where: bonds (distance) C4'-P energy: -113.789 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -124.443 flat angles P-C4'-P energy: -67.286 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: 1, replica: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3030.470385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.470385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.470385 (E_RNA) where: Base-Base interactions energy: -2188.849 where: short stacking energy: -893.842 Base-Backbone interact. energy: -5.659 local terms energy: -835.962350 where: bonds (distance) C4'-P energy: -155.991 bonds (distance) P-C4' energy: -142.649 flat angles C4'-P-C4' energy: -190.241 flat angles P-C4'-P energy: -107.929 tors. eta vs tors. theta energy: -239.152 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: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2933.632551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.632551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.632551 (E_RNA) where: Base-Base interactions energy: -2095.331 where: short stacking energy: -911.311 Base-Backbone interact. energy: -1.691 local terms energy: -836.610338 where: bonds (distance) C4'-P energy: -158.719 bonds (distance) P-C4' energy: -147.940 flat angles C4'-P-C4' energy: -178.291 flat angles P-C4'-P energy: -113.678 tors. eta vs tors. theta energy: -237.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2780.250440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.250440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.250440 (E_RNA) where: Base-Base interactions energy: -1942.596 where: short stacking energy: -878.352 Base-Backbone interact. energy: -2.646 local terms energy: -835.008540 where: bonds (distance) C4'-P energy: -154.262 bonds (distance) P-C4' energy: -153.087 flat angles C4'-P-C4' energy: -178.656 flat angles P-C4'-P energy: -111.334 tors. eta vs tors. theta energy: -237.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2620.168479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.168479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.168479 (E_RNA) where: Base-Base interactions energy: -1834.179 where: short stacking energy: -765.675 Base-Backbone interact. energy: -0.217 local terms energy: -785.772495 where: bonds (distance) C4'-P energy: -149.984 bonds (distance) P-C4' energy: -143.268 flat angles C4'-P-C4' energy: -179.124 flat angles P-C4'-P energy: -114.483 tors. eta vs tors. theta energy: -198.913 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: 7 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2494.774546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.774546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.774546 (E_RNA) where: Base-Base interactions energy: -1756.182 where: short stacking energy: -723.852 Base-Backbone interact. energy: -3.718 local terms energy: -734.874654 where: bonds (distance) C4'-P energy: -136.320 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -184.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2385.378550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.378550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.378550 (E_RNA) where: Base-Base interactions energy: -1681.535 where: short stacking energy: -690.392 Base-Backbone interact. energy: -1.422 local terms energy: -702.420969 where: bonds (distance) C4'-P energy: -130.868 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -155.971 flat angles P-C4'-P energy: -109.414 tors. eta vs tors. theta energy: -172.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2259.323020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.323020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.323020 (E_RNA) where: Base-Base interactions energy: -1569.900 where: short stacking energy: -676.799 Base-Backbone interact. energy: -1.481 local terms energy: -687.941527 where: bonds (distance) C4'-P energy: -140.768 bonds (distance) P-C4' energy: -130.968 flat angles C4'-P-C4' energy: -152.664 flat angles P-C4'-P energy: -102.549 tors. eta vs tors. theta energy: -160.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -2002.876347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.876347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.876347 (E_RNA) where: Base-Base interactions energy: -1433.197 where: short stacking energy: -614.747 Base-Backbone interact. energy: 3.350 local terms energy: -573.029076 where: bonds (distance) C4'-P energy: -112.419 bonds (distance) P-C4' energy: -130.554 flat angles C4'-P-C4' energy: -114.579 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -125.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1494.934820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.934820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.934820 (E_RNA) where: Base-Base interactions energy: -953.577 where: short stacking energy: -450.022 Base-Backbone interact. energy: 1.543 local terms energy: -542.900826 where: bonds (distance) C4'-P energy: -122.945 bonds (distance) P-C4' energy: -132.572 flat angles C4'-P-C4' energy: -128.501 flat angles P-C4'-P energy: -93.020 tors. eta vs tors. theta energy: -65.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1378.484243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.484243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.484243 (E_RNA) where: Base-Base interactions energy: -870.189 where: short stacking energy: -415.680 Base-Backbone interact. energy: 2.416 local terms energy: -510.710273 where: bonds (distance) C4'-P energy: -107.945 bonds (distance) P-C4' energy: -121.143 flat angles C4'-P-C4' energy: -124.936 flat angles P-C4'-P energy: -94.589 tors. eta vs tors. theta energy: -62.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2976.485446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.485446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.485446 (E_RNA) where: Base-Base interactions energy: -2126.364 where: short stacking energy: -871.548 Base-Backbone interact. energy: -4.959 local terms energy: -845.162248 where: bonds (distance) C4'-P energy: -151.243 bonds (distance) P-C4' energy: -162.637 flat angles C4'-P-C4' energy: -188.466 flat angles P-C4'-P energy: -110.491 tors. eta vs tors. theta energy: -232.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2920.114518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.114518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.114518 (E_RNA) where: Base-Base interactions energy: -2053.287 where: short stacking energy: -886.478 Base-Backbone interact. energy: -2.178 local terms energy: -864.649934 where: bonds (distance) C4'-P energy: -161.328 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -184.022 flat angles P-C4'-P energy: -122.880 tors. eta vs tors. theta energy: -237.118 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: 193 Temperature: 1.000000 Total energy: -2770.225760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.225760 (E_RNA) where: Base-Base interactions energy: -1937.484 where: short stacking energy: -828.916 Base-Backbone interact. energy: -1.715 local terms energy: -831.027507 where: bonds (distance) C4'-P energy: -150.945 bonds (distance) P-C4' energy: -138.479 flat angles C4'-P-C4' energy: -187.258 flat angles P-C4'-P energy: -125.899 tors. eta vs tors. theta energy: -228.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2615.488753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.488753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.488753 (E_RNA) where: Base-Base interactions energy: -1834.877 where: short stacking energy: -784.817 Base-Backbone interact. energy: -4.241 local terms energy: -776.370800 where: bonds (distance) C4'-P energy: -147.357 bonds (distance) P-C4' energy: -149.767 flat angles C4'-P-C4' energy: -175.641 flat angles P-C4'-P energy: -103.421 tors. eta vs tors. theta energy: -200.184 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: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2539.976680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.976680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.976680 (E_RNA) where: Base-Base interactions energy: -1804.666 where: short stacking energy: -738.251 Base-Backbone interact. energy: -1.056 local terms energy: -734.254304 where: bonds (distance) C4'-P energy: -128.256 bonds (distance) P-C4' energy: -141.006 flat angles C4'-P-C4' energy: -165.185 flat angles P-C4'-P energy: -115.007 tors. eta vs tors. theta energy: -184.801 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: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2419.507473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.507473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.507473 (E_RNA) where: Base-Base interactions energy: -1706.334 where: short stacking energy: -709.694 Base-Backbone interact. energy: 4.184 local terms energy: -717.357241 where: bonds (distance) C4'-P energy: -135.771 bonds (distance) P-C4' energy: -149.361 flat angles C4'-P-C4' energy: -157.393 flat angles P-C4'-P energy: -114.733 tors. eta vs tors. theta energy: -160.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2298.312074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.312074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.312074 (E_RNA) where: Base-Base interactions energy: -1596.985 where: short stacking energy: -700.388 Base-Backbone interact. energy: -1.674 local terms energy: -699.652525 where: bonds (distance) C4'-P energy: -138.476 bonds (distance) P-C4' energy: -113.791 flat angles C4'-P-C4' energy: -158.019 flat angles P-C4'-P energy: -95.458 tors. eta vs tors. theta energy: -193.909 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: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -2068.158308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.158308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.158308 (E_RNA) where: Base-Base interactions energy: -1426.149 where: short stacking energy: -595.504 Base-Backbone interact. energy: -2.697 local terms energy: -639.312269 where: bonds (distance) C4'-P energy: -131.255 bonds (distance) P-C4' energy: -137.618 flat angles C4'-P-C4' energy: -144.950 flat angles P-C4'-P energy: -89.271 tors. eta vs tors. theta energy: -136.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1508.941123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.941123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.941123 (E_RNA) where: Base-Base interactions energy: -994.662 where: short stacking energy: -462.986 Base-Backbone interact. energy: -1.280 local terms energy: -512.998956 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -128.227 flat angles C4'-P-C4' energy: -122.851 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -83.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1459.852656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.852656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.852656 (E_RNA) where: Base-Base interactions energy: -973.098 where: short stacking energy: -417.160 Base-Backbone interact. energy: -2.204 local terms energy: -484.550316 where: bonds (distance) C4'-P energy: -119.137 bonds (distance) P-C4' energy: -123.468 flat angles C4'-P-C4' energy: -108.057 flat angles P-C4'-P energy: -73.620 tors. eta vs tors. theta energy: -60.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2977.406064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.406064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.406064 (E_RNA) where: Base-Base interactions energy: -2117.857 where: short stacking energy: -876.472 Base-Backbone interact. energy: -3.621 local terms energy: -855.927739 where: bonds (distance) C4'-P energy: -155.399 bonds (distance) P-C4' energy: -156.097 flat angles C4'-P-C4' energy: -190.465 flat angles P-C4'-P energy: -126.600 tors. eta vs tors. theta energy: -227.367 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: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2896.948154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.948154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.948154 (E_RNA) where: Base-Base interactions energy: -2034.498 where: short stacking energy: -884.562 Base-Backbone interact. energy: -3.843 local terms energy: -858.606722 where: bonds (distance) C4'-P energy: -139.632 bonds (distance) P-C4' energy: -168.375 flat angles C4'-P-C4' energy: -184.567 flat angles P-C4'-P energy: -138.046 tors. eta vs tors. theta energy: -227.987 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: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2765.162189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.162189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.162189 (E_RNA) where: Base-Base interactions energy: -1932.933 where: short stacking energy: -841.717 Base-Backbone interact. energy: -1.963 local terms energy: -830.266270 where: bonds (distance) C4'-P energy: -151.490 bonds (distance) P-C4' energy: -154.470 flat angles C4'-P-C4' energy: -180.807 flat angles P-C4'-P energy: -106.200 tors. eta vs tors. theta energy: -237.300 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: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2696.146339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.146339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.146339 (E_RNA) where: Base-Base interactions energy: -1892.982 where: short stacking energy: -818.432 Base-Backbone interact. energy: -4.863 local terms energy: -798.301772 where: bonds (distance) C4'-P energy: -152.497 bonds (distance) P-C4' energy: -147.406 flat angles C4'-P-C4' energy: -158.514 flat angles P-C4'-P energy: -125.956 tors. eta vs tors. theta energy: -213.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2546.919526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.919526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.919526 (E_RNA) where: Base-Base interactions energy: -1809.835 where: short stacking energy: -752.129 Base-Backbone interact. energy: -5.289 local terms energy: -731.794920 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -141.082 flat angles C4'-P-C4' energy: -175.721 flat angles P-C4'-P energy: -117.096 tors. eta vs tors. theta energy: -175.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2378.982917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.982917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.982917 (E_RNA) where: Base-Base interactions energy: -1714.209 where: short stacking energy: -702.296 Base-Backbone interact. energy: -1.441 local terms energy: -663.332604 where: bonds (distance) C4'-P energy: -117.271 bonds (distance) P-C4' energy: -115.891 flat angles C4'-P-C4' energy: -159.648 flat angles P-C4'-P energy: -91.831 tors. eta vs tors. theta energy: -178.692 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: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2257.958677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.958677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.958677 (E_RNA) where: Base-Base interactions energy: -1567.360 where: short stacking energy: -675.094 Base-Backbone interact. energy: -2.399 local terms energy: -688.200522 where: bonds (distance) C4'-P energy: -121.446 bonds (distance) P-C4' energy: -137.443 flat angles C4'-P-C4' energy: -142.766 flat angles P-C4'-P energy: -95.149 tors. eta vs tors. theta energy: -191.397 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: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -2042.086906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.086906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.086906 (E_RNA) where: Base-Base interactions energy: -1462.611 where: short stacking energy: -613.046 Base-Backbone interact. energy: -0.584 local terms energy: -578.891504 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -118.066 flat angles C4'-P-C4' energy: -136.980 flat angles P-C4'-P energy: -74.489 tors. eta vs tors. theta energy: -135.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1569.837049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.837049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.837049 (E_RNA) where: Base-Base interactions energy: -1024.305 where: short stacking energy: -477.311 Base-Backbone interact. energy: -1.637 local terms energy: -543.894666 where: bonds (distance) C4'-P energy: -128.569 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -122.439 flat angles P-C4'-P energy: -88.945 tors. eta vs tors. theta energy: -69.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1493.417734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.417734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.417734 (E_RNA) where: Base-Base interactions energy: -986.470 where: short stacking energy: -485.208 Base-Backbone interact. energy: -1.455 local terms energy: -505.493482 where: bonds (distance) C4'-P energy: -112.096 bonds (distance) P-C4' energy: -108.812 flat angles C4'-P-C4' energy: -123.828 flat angles P-C4'-P energy: -69.175 tors. eta vs tors. theta energy: -91.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3020.180914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.180914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.180914 (E_RNA) where: Base-Base interactions energy: -2174.596 where: short stacking energy: -898.765 Base-Backbone interact. energy: -4.295 local terms energy: -841.289042 where: bonds (distance) C4'-P energy: -150.630 bonds (distance) P-C4' energy: -161.758 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -122.798 tors. eta vs tors. theta energy: -232.057 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: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2866.869889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.869889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.869889 (E_RNA) where: Base-Base interactions energy: -2042.603 where: short stacking energy: -887.095 Base-Backbone interact. energy: -5.044 local terms energy: -819.222400 where: bonds (distance) C4'-P energy: -160.164 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -167.299 flat angles P-C4'-P energy: -122.111 tors. eta vs tors. theta energy: -218.245 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: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2754.152924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.152924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.152924 (E_RNA) where: Base-Base interactions energy: -1930.255 where: short stacking energy: -832.155 Base-Backbone interact. energy: -3.893 local terms energy: -820.005691 where: bonds (distance) C4'-P energy: -140.189 bonds (distance) P-C4' energy: -145.851 flat angles C4'-P-C4' energy: -182.104 flat angles P-C4'-P energy: -116.437 tors. eta vs tors. theta energy: -235.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2631.962520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.962520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.962520 (E_RNA) where: Base-Base interactions energy: -1846.555 where: short stacking energy: -782.170 Base-Backbone interact. energy: -5.351 local terms energy: -780.057239 where: bonds (distance) C4'-P energy: -158.855 bonds (distance) P-C4' energy: -136.924 flat angles C4'-P-C4' energy: -167.144 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -200.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2534.221470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.221470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.221470 (E_RNA) where: Base-Base interactions energy: -1783.022 where: short stacking energy: -715.943 Base-Backbone interact. energy: -2.305 local terms energy: -748.894492 where: bonds (distance) C4'-P energy: -127.919 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -172.070 flat angles P-C4'-P energy: -117.929 tors. eta vs tors. theta energy: -181.536 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2436.125430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.125430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.125430 (E_RNA) where: Base-Base interactions energy: -1748.944 where: short stacking energy: -696.203 Base-Backbone interact. energy: -1.388 local terms energy: -685.793802 where: bonds (distance) C4'-P energy: -134.962 bonds (distance) P-C4' energy: -139.000 flat angles C4'-P-C4' energy: -144.609 flat angles P-C4'-P energy: -96.452 tors. eta vs tors. theta energy: -170.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2281.830152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.830152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.830152 (E_RNA) where: Base-Base interactions energy: -1547.861 where: short stacking energy: -662.900 Base-Backbone interact. energy: -3.773 local terms energy: -730.196843 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -147.815 flat angles C4'-P-C4' energy: -161.348 flat angles P-C4'-P energy: -105.979 tors. eta vs tors. theta energy: -176.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1991.988051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.988051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.988051 (E_RNA) where: Base-Base interactions energy: -1381.419 where: short stacking energy: -610.328 Base-Backbone interact. energy: -3.502 local terms energy: -607.067050 where: bonds (distance) C4'-P energy: -118.954 bonds (distance) P-C4' energy: -117.949 flat angles C4'-P-C4' energy: -143.089 flat angles P-C4'-P energy: -73.286 tors. eta vs tors. theta energy: -153.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1627.745434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.745434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.745434 (E_RNA) where: Base-Base interactions energy: -1100.698 where: short stacking energy: -497.307 Base-Backbone interact. energy: -1.019 local terms energy: -526.029090 where: bonds (distance) C4'-P energy: -109.651 bonds (distance) P-C4' energy: -121.267 flat angles C4'-P-C4' energy: -129.801 flat angles P-C4'-P energy: -70.858 tors. eta vs tors. theta energy: -94.452 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: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1419.356638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.356638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.356638 (E_RNA) where: Base-Base interactions energy: -910.544 where: short stacking energy: -445.042 Base-Backbone interact. energy: 1.795 local terms energy: -510.607622 where: bonds (distance) C4'-P energy: -93.823 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -134.779 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -88.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3017.329029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.329029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.329029 (E_RNA) where: Base-Base interactions energy: -2169.879 where: short stacking energy: -875.650 Base-Backbone interact. energy: -7.324 local terms energy: -840.125885 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -164.434 flat angles C4'-P-C4' energy: -174.637 flat angles P-C4'-P energy: -113.522 tors. eta vs tors. theta energy: -229.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2870.981269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.981269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.981269 (E_RNA) where: Base-Base interactions energy: -2011.670 where: short stacking energy: -826.392 Base-Backbone interact. energy: -1.327 local terms energy: -857.984895 where: bonds (distance) C4'-P energy: -153.707 bonds (distance) P-C4' energy: -152.286 flat angles C4'-P-C4' energy: -185.675 flat angles P-C4'-P energy: -134.740 tors. eta vs tors. theta energy: -231.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2757.992168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.992168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.992168 (E_RNA) where: Base-Base interactions energy: -1942.545 where: short stacking energy: -843.395 Base-Backbone interact. energy: -2.022 local terms energy: -813.425192 where: bonds (distance) C4'-P energy: -147.809 bonds (distance) P-C4' energy: -139.359 flat angles C4'-P-C4' energy: -171.541 flat angles P-C4'-P energy: -122.961 tors. eta vs tors. theta energy: -231.755 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2674.431989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.431989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.431989 (E_RNA) where: Base-Base interactions energy: -1896.582 where: short stacking energy: -790.468 Base-Backbone interact. energy: -2.504 local terms energy: -775.346078 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -147.435 flat angles C4'-P-C4' energy: -172.289 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -208.642 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: 7 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2508.263151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.263151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.263151 (E_RNA) where: Base-Base interactions energy: -1768.206 where: short stacking energy: -724.331 Base-Backbone interact. energy: -5.791 local terms energy: -734.266465 where: bonds (distance) C4'-P energy: -127.467 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -161.012 flat angles P-C4'-P energy: -116.277 tors. eta vs tors. theta energy: -174.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2404.837673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.837673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.837673 (E_RNA) where: Base-Base interactions energy: -1654.766 where: short stacking energy: -692.177 Base-Backbone interact. energy: -2.641 local terms energy: -747.431114 where: bonds (distance) C4'-P energy: -160.287 bonds (distance) P-C4' energy: -139.011 flat angles C4'-P-C4' energy: -172.190 flat angles P-C4'-P energy: -106.942 tors. eta vs tors. theta energy: -169.002 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: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2294.893078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.893078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.893078 (E_RNA) where: Base-Base interactions energy: -1593.433 where: short stacking energy: -676.034 Base-Backbone interact. energy: -2.125 local terms energy: -699.335383 where: bonds (distance) C4'-P energy: -125.344 bonds (distance) P-C4' energy: -156.326 flat angles C4'-P-C4' energy: -139.924 flat angles P-C4'-P energy: -96.516 tors. eta vs tors. theta energy: -181.224 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: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -2040.445888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.445888 (E_RNA) where: Base-Base interactions energy: -1399.747 where: short stacking energy: -572.489 Base-Backbone interact. energy: 2.688 local terms energy: -643.387705 where: bonds (distance) C4'-P energy: -135.813 bonds (distance) P-C4' energy: -145.602 flat angles C4'-P-C4' energy: -147.641 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: -141.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1644.115176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.115176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.115176 (E_RNA) where: Base-Base interactions energy: -1094.077 where: short stacking energy: -482.164 Base-Backbone interact. energy: -0.744 local terms energy: -549.294002 where: bonds (distance) C4'-P energy: -113.777 bonds (distance) P-C4' energy: -139.310 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -73.046 tors. eta vs tors. theta energy: -83.928 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: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1436.454919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.454919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.454919 (E_RNA) where: Base-Base interactions energy: -923.036 where: short stacking energy: -416.146 Base-Backbone interact. energy: 1.485 local terms energy: -514.903746 where: bonds (distance) C4'-P energy: -122.799 bonds (distance) P-C4' energy: -126.969 flat angles C4'-P-C4' energy: -134.243 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -56.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3012.603905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.603905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.603905 (E_RNA) where: Base-Base interactions energy: -2152.354 where: short stacking energy: -899.655 Base-Backbone interact. energy: -2.850 local terms energy: -857.399096 where: bonds (distance) C4'-P energy: -145.866 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -183.080 flat angles P-C4'-P energy: -132.911 tors. eta vs tors. theta energy: -240.228 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: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2910.705730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.705730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.705730 (E_RNA) where: Base-Base interactions energy: -2102.433 where: short stacking energy: -862.726 Base-Backbone interact. energy: -3.670 local terms energy: -804.602084 where: bonds (distance) C4'-P energy: -148.537 bonds (distance) P-C4' energy: -145.473 flat angles C4'-P-C4' energy: -179.853 flat angles P-C4'-P energy: -114.705 tors. eta vs tors. theta energy: -216.034 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: 197 Temperature: 1.000000 Total energy: -2772.447141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.447141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.447141 (E_RNA) where: Base-Base interactions energy: -1937.025 where: short stacking energy: -856.097 Base-Backbone interact. energy: -0.180 local terms energy: -835.242229 where: bonds (distance) C4'-P energy: -155.680 bonds (distance) P-C4' energy: -158.436 flat angles C4'-P-C4' energy: -186.075 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -235.081 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: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2661.311066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.311066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.311066 (E_RNA) where: Base-Base interactions energy: -1879.434 where: short stacking energy: -806.410 Base-Backbone interact. energy: -1.869 local terms energy: -780.008165 where: bonds (distance) C4'-P energy: -124.080 bonds (distance) P-C4' energy: -152.802 flat angles C4'-P-C4' energy: -175.683 flat angles P-C4'-P energy: -115.863 tors. eta vs tors. theta energy: -211.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2515.914034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.914034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.914034 (E_RNA) where: Base-Base interactions energy: -1762.614 where: short stacking energy: -766.462 Base-Backbone interact. energy: -3.919 local terms energy: -749.381702 where: bonds (distance) C4'-P energy: -155.033 bonds (distance) P-C4' energy: -134.234 flat angles C4'-P-C4' energy: -169.945 flat angles P-C4'-P energy: -103.533 tors. eta vs tors. theta energy: -186.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2377.877429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.877429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.877429 (E_RNA) where: Base-Base interactions energy: -1716.713 where: short stacking energy: -688.327 Base-Backbone interact. energy: -1.157 local terms energy: -660.007095 where: bonds (distance) C4'-P energy: -133.596 bonds (distance) P-C4' energy: -118.081 flat angles C4'-P-C4' energy: -150.971 flat angles P-C4'-P energy: -88.908 tors. eta vs tors. theta energy: -168.451 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: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2283.776632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.776632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.776632 (E_RNA) where: Base-Base interactions energy: -1582.746 where: short stacking energy: -694.945 Base-Backbone interact. energy: -2.435 local terms energy: -698.595550 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -126.113 flat angles C4'-P-C4' energy: -164.289 flat angles P-C4'-P energy: -104.253 tors. eta vs tors. theta energy: -176.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -2095.446701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.446701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.446701 (E_RNA) where: Base-Base interactions energy: -1448.489 where: short stacking energy: -627.857 Base-Backbone interact. energy: -0.279 local terms energy: -646.678445 where: bonds (distance) C4'-P energy: -127.896 bonds (distance) P-C4' energy: -147.163 flat angles C4'-P-C4' energy: -150.867 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -146.229 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: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1765.600436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.600436 (E_RNA) where: Base-Base interactions energy: -1162.308 where: short stacking energy: -511.961 Base-Backbone interact. energy: -0.361 local terms energy: -602.930810 where: bonds (distance) C4'-P energy: -120.222 bonds (distance) P-C4' energy: -139.081 flat angles C4'-P-C4' energy: -142.253 flat angles P-C4'-P energy: -84.166 tors. eta vs tors. theta energy: -117.209 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: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1504.938944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.938944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.938944 (E_RNA) where: Base-Base interactions energy: -1000.068 where: short stacking energy: -478.613 Base-Backbone interact. energy: 3.152 local terms energy: -508.023777 where: bonds (distance) C4'-P energy: -130.139 bonds (distance) P-C4' energy: -115.548 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -76.443 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: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2989.312392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.312392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.312392 (E_RNA) where: Base-Base interactions energy: -2138.418 where: short stacking energy: -902.969 Base-Backbone interact. energy: -4.436 local terms energy: -846.458387 where: bonds (distance) C4'-P energy: -153.100 bonds (distance) P-C4' energy: -153.085 flat angles C4'-P-C4' energy: -175.334 flat angles P-C4'-P energy: -127.036 tors. eta vs tors. theta energy: -237.904 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: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2910.486602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.486602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.486602 (E_RNA) where: Base-Base interactions energy: -2051.814 where: short stacking energy: -844.906 Base-Backbone interact. energy: 0.605 local terms energy: -859.277758 where: bonds (distance) C4'-P energy: -149.807 bonds (distance) P-C4' energy: -167.931 flat angles C4'-P-C4' energy: -198.350 flat angles P-C4'-P energy: -127.259 tors. eta vs tors. theta energy: -215.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2766.178800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.178800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.178800 (E_RNA) where: Base-Base interactions energy: -1939.160 where: short stacking energy: -879.663 Base-Backbone interact. energy: -3.167 local terms energy: -823.851494 where: bonds (distance) C4'-P energy: -141.601 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -180.960 flat angles P-C4'-P energy: -108.074 tors. eta vs tors. theta energy: -242.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2647.718473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.718473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.718473 (E_RNA) where: Base-Base interactions energy: -1871.481 where: short stacking energy: -794.364 Base-Backbone interact. energy: -0.920 local terms energy: -775.317854 where: bonds (distance) C4'-P energy: -141.490 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -163.865 flat angles P-C4'-P energy: -119.984 tors. eta vs tors. theta energy: -206.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2521.274688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.274688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.274688 (E_RNA) where: Base-Base interactions energy: -1785.176 where: short stacking energy: -766.501 Base-Backbone interact. energy: -2.501 local terms energy: -733.598037 where: bonds (distance) C4'-P energy: -127.224 bonds (distance) P-C4' energy: -139.396 flat angles C4'-P-C4' energy: -164.911 flat angles P-C4'-P energy: -105.309 tors. eta vs tors. theta energy: -196.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2410.985437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.985437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.985437 (E_RNA) where: Base-Base interactions energy: -1708.466 where: short stacking energy: -688.017 Base-Backbone interact. energy: -3.885 local terms energy: -698.633836 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -132.764 flat angles C4'-P-C4' energy: -150.421 flat angles P-C4'-P energy: -96.600 tors. eta vs tors. theta energy: -177.454 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: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2283.845878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.845878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.845878 (E_RNA) where: Base-Base interactions energy: -1580.867 where: short stacking energy: -689.777 Base-Backbone interact. energy: -2.669 local terms energy: -700.309258 where: bonds (distance) C4'-P energy: -145.163 bonds (distance) P-C4' energy: -134.277 flat angles C4'-P-C4' energy: -144.986 flat angles P-C4'-P energy: -92.602 tors. eta vs tors. theta energy: -183.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -2060.042368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.042368 (E_RNA) where: Base-Base interactions energy: -1463.721 where: short stacking energy: -602.753 Base-Backbone interact. energy: 0.085 local terms energy: -596.405895 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -145.601 flat angles C4'-P-C4' energy: -136.202 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -132.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1718.193077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.193077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.193077 (E_RNA) where: Base-Base interactions energy: -1138.654 where: short stacking energy: -518.330 Base-Backbone interact. energy: -1.057 local terms energy: -578.482422 where: bonds (distance) C4'-P energy: -123.316 bonds (distance) P-C4' energy: -130.808 flat angles C4'-P-C4' energy: -142.503 flat angles P-C4'-P energy: -76.888 tors. eta vs tors. theta energy: -104.968 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: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1470.041925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.041925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.041925 (E_RNA) where: Base-Base interactions energy: -962.845 where: short stacking energy: -437.771 Base-Backbone interact. energy: -1.168 local terms energy: -506.028764 where: bonds (distance) C4'-P energy: -121.834 bonds (distance) P-C4' energy: -126.706 flat angles C4'-P-C4' energy: -129.181 flat angles P-C4'-P energy: -65.702 tors. eta vs tors. theta energy: -62.607 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: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2992.167268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.167268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.167268 (E_RNA) where: Base-Base interactions energy: -2140.071 where: short stacking energy: -861.472 Base-Backbone interact. energy: -4.635 local terms energy: -847.461839 where: bonds (distance) C4'-P energy: -163.447 bonds (distance) P-C4' energy: -161.060 flat angles C4'-P-C4' energy: -167.876 flat angles P-C4'-P energy: -120.277 tors. eta vs tors. theta energy: -234.802 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: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2931.573556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.573556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.573556 (E_RNA) where: Base-Base interactions energy: -2100.574 where: short stacking energy: -870.699 Base-Backbone interact. energy: -8.499 local terms energy: -822.501151 where: bonds (distance) C4'-P energy: -139.166 bonds (distance) P-C4' energy: -151.199 flat angles C4'-P-C4' energy: -190.385 flat angles P-C4'-P energy: -108.447 tors. eta vs tors. theta energy: -233.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2809.112984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.112984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.112984 (E_RNA) where: Base-Base interactions energy: -1995.628 where: short stacking energy: -866.748 Base-Backbone interact. energy: 0.939 local terms energy: -814.424782 where: bonds (distance) C4'-P energy: -133.460 bonds (distance) P-C4' energy: -145.171 flat angles C4'-P-C4' energy: -177.497 flat angles P-C4'-P energy: -113.074 tors. eta vs tors. theta energy: -245.223 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: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2652.350054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.350054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.350054 (E_RNA) where: Base-Base interactions energy: -1878.221 where: short stacking energy: -785.654 Base-Backbone interact. energy: -5.124 local terms energy: -769.004491 where: bonds (distance) C4'-P energy: -146.647 bonds (distance) P-C4' energy: -151.561 flat angles C4'-P-C4' energy: -160.424 flat angles P-C4'-P energy: -101.441 tors. eta vs tors. theta energy: -208.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2502.942278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.942278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.942278 (E_RNA) where: Base-Base interactions energy: -1762.895 where: short stacking energy: -747.794 Base-Backbone interact. energy: 4.083 local terms energy: -744.130593 where: bonds (distance) C4'-P energy: -133.366 bonds (distance) P-C4' energy: -148.542 flat angles C4'-P-C4' energy: -168.956 flat angles P-C4'-P energy: -99.438 tors. eta vs tors. theta energy: -193.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2399.269122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.269122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.269122 (E_RNA) where: Base-Base interactions energy: -1695.581 where: short stacking energy: -710.492 Base-Backbone interact. energy: 1.388 local terms energy: -705.076028 where: bonds (distance) C4'-P energy: -113.568 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -154.872 flat angles P-C4'-P energy: -102.929 tors. eta vs tors. theta energy: -178.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2313.374588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.374588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.374588 (E_RNA) where: Base-Base interactions energy: -1576.222 where: short stacking energy: -671.995 Base-Backbone interact. energy: -0.252 local terms energy: -736.900240 where: bonds (distance) C4'-P energy: -140.031 bonds (distance) P-C4' energy: -151.115 flat angles C4'-P-C4' energy: -154.880 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -193.532 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: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -2026.952725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.952725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.952725 (E_RNA) where: Base-Base interactions energy: -1395.765 where: short stacking energy: -627.192 Base-Backbone interact. energy: -2.966 local terms energy: -628.221258 where: bonds (distance) C4'-P energy: -114.394 bonds (distance) P-C4' energy: -137.632 flat angles C4'-P-C4' energy: -157.026 flat angles P-C4'-P energy: -82.899 tors. eta vs tors. theta energy: -136.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1749.938995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.938995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.938995 (E_RNA) where: Base-Base interactions energy: -1185.729 where: short stacking energy: -530.055 Base-Backbone interact. energy: -1.148 local terms energy: -563.062109 where: bonds (distance) C4'-P energy: -132.803 bonds (distance) P-C4' energy: -120.970 flat angles C4'-P-C4' energy: -142.637 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -102.275 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: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1454.383083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.383083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.383083 (E_RNA) where: Base-Base interactions energy: -915.369 where: short stacking energy: -435.130 Base-Backbone interact. energy: 2.585 local terms energy: -541.599007 where: bonds (distance) C4'-P energy: -128.431 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -130.929 flat angles P-C4'-P energy: -69.255 tors. eta vs tors. theta energy: -67.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2992.191819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.191819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.191819 (E_RNA) where: Base-Base interactions energy: -2149.913 where: short stacking energy: -881.458 Base-Backbone interact. energy: -2.828 local terms energy: -839.450555 where: bonds (distance) C4'-P energy: -145.927 bonds (distance) P-C4' energy: -171.176 flat angles C4'-P-C4' energy: -172.949 flat angles P-C4'-P energy: -108.845 tors. eta vs tors. theta energy: -240.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2928.318143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.318143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.318143 (E_RNA) where: Base-Base interactions energy: -2092.812 where: short stacking energy: -846.313 Base-Backbone interact. energy: -4.134 local terms energy: -831.372310 where: bonds (distance) C4'-P energy: -154.307 bonds (distance) P-C4' energy: -149.550 flat angles C4'-P-C4' energy: -180.218 flat angles P-C4'-P energy: -125.118 tors. eta vs tors. theta energy: -222.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2767.254472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.254472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.254472 (E_RNA) where: Base-Base interactions energy: -1952.707 where: short stacking energy: -847.301 Base-Backbone interact. energy: -0.325 local terms energy: -814.222852 where: bonds (distance) C4'-P energy: -121.973 bonds (distance) P-C4' energy: -166.018 flat angles C4'-P-C4' energy: -183.691 flat angles P-C4'-P energy: -107.320 tors. eta vs tors. theta energy: -235.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2657.737393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.737393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.737393 (E_RNA) where: Base-Base interactions energy: -1856.755 where: short stacking energy: -779.637 Base-Backbone interact. energy: -6.144 local terms energy: -794.838884 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -140.032 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -114.486 tors. eta vs tors. theta energy: -201.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2517.643054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.643054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.643054 (E_RNA) where: Base-Base interactions energy: -1784.406 where: short stacking energy: -753.526 Base-Backbone interact. energy: 0.550 local terms energy: -733.786365 where: bonds (distance) C4'-P energy: -135.018 bonds (distance) P-C4' energy: -135.924 flat angles C4'-P-C4' energy: -163.469 flat angles P-C4'-P energy: -107.112 tors. eta vs tors. theta energy: -192.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2413.196118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.196118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.196118 (E_RNA) where: Base-Base interactions energy: -1696.603 where: short stacking energy: -696.447 Base-Backbone interact. energy: 0.223 local terms energy: -716.815749 where: bonds (distance) C4'-P energy: -135.404 bonds (distance) P-C4' energy: -132.668 flat angles C4'-P-C4' energy: -169.514 flat angles P-C4'-P energy: -104.143 tors. eta vs tors. theta energy: -175.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2306.066876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.066876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.066876 (E_RNA) where: Base-Base interactions energy: -1577.541 where: short stacking energy: -684.918 Base-Backbone interact. energy: -1.526 local terms energy: -727.000569 where: bonds (distance) C4'-P energy: -133.410 bonds (distance) P-C4' energy: -164.549 flat angles C4'-P-C4' energy: -156.074 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -180.856 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: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -2040.725502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.725502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.725502 (E_RNA) where: Base-Base interactions energy: -1398.027 where: short stacking energy: -586.536 Base-Backbone interact. energy: -3.639 local terms energy: -639.059295 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -130.194 flat angles C4'-P-C4' energy: -145.685 flat angles P-C4'-P energy: -100.251 tors. eta vs tors. theta energy: -140.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1634.161776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.161776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.161776 (E_RNA) where: Base-Base interactions energy: -1056.007 where: short stacking energy: -512.434 Base-Backbone interact. energy: -1.009 local terms energy: -577.145340 where: bonds (distance) C4'-P energy: -131.629 bonds (distance) P-C4' energy: -127.559 flat angles C4'-P-C4' energy: -139.749 flat angles P-C4'-P energy: -85.398 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: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1497.929485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.929485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.929485 (E_RNA) where: Base-Base interactions energy: -974.438 where: short stacking energy: -447.666 Base-Backbone interact. energy: -0.730 local terms energy: -522.761703 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -119.955 flat angles C4'-P-C4' energy: -143.520 flat angles P-C4'-P energy: -84.434 tors. eta vs tors. theta energy: -64.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3051.756550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.756550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.756550 (E_RNA) where: Base-Base interactions energy: -2180.195 where: short stacking energy: -894.605 Base-Backbone interact. energy: -5.101 local terms energy: -866.461008 where: bonds (distance) C4'-P energy: -155.740 bonds (distance) P-C4' energy: -176.819 flat angles C4'-P-C4' energy: -180.996 flat angles P-C4'-P energy: -123.455 tors. eta vs tors. theta energy: -229.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2919.097659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.097659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.097659 (E_RNA) where: Base-Base interactions energy: -2059.173 where: short stacking energy: -859.514 Base-Backbone interact. energy: -6.781 local terms energy: -853.143514 where: bonds (distance) C4'-P energy: -158.829 bonds (distance) P-C4' energy: -159.726 flat angles C4'-P-C4' energy: -188.578 flat angles P-C4'-P energy: -112.844 tors. eta vs tors. theta energy: -233.166 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: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2767.727768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.727768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.727768 (E_RNA) where: Base-Base interactions energy: -1941.654 where: short stacking energy: -845.764 Base-Backbone interact. energy: -2.159 local terms energy: -823.914939 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -146.325 flat angles C4'-P-C4' energy: -179.658 flat angles P-C4'-P energy: -110.743 tors. eta vs tors. theta energy: -236.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2599.805517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.805517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.805517 (E_RNA) where: Base-Base interactions energy: -1842.487 where: short stacking energy: -754.967 Base-Backbone interact. energy: -3.524 local terms energy: -753.794500 where: bonds (distance) C4'-P energy: -148.055 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -159.806 flat angles P-C4'-P energy: -105.436 tors. eta vs tors. theta energy: -197.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2514.171712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.171712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.171712 (E_RNA) where: Base-Base interactions energy: -1784.236 where: short stacking energy: -721.367 Base-Backbone interact. energy: 2.219 local terms energy: -732.155291 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -132.750 flat angles C4'-P-C4' energy: -179.109 flat angles P-C4'-P energy: -103.936 tors. eta vs tors. theta energy: -180.347 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: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2411.874679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.874679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.874679 (E_RNA) where: Base-Base interactions energy: -1696.347 where: short stacking energy: -726.417 Base-Backbone interact. energy: 3.788 local terms energy: -719.314945 where: bonds (distance) C4'-P energy: -130.793 bonds (distance) P-C4' energy: -134.391 flat angles C4'-P-C4' energy: -144.744 flat angles P-C4'-P energy: -110.287 tors. eta vs tors. theta energy: -199.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2342.600855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.600855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.600855 (E_RNA) where: Base-Base interactions energy: -1663.922 where: short stacking energy: -735.446 Base-Backbone interact. energy: -2.182 local terms energy: -676.496295 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -125.629 flat angles C4'-P-C4' energy: -151.723 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -191.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1977.487313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.487313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.487313 (E_RNA) where: Base-Base interactions energy: -1380.975 where: short stacking energy: -585.532 Base-Backbone interact. energy: 1.318 local terms energy: -597.830537 where: bonds (distance) C4'-P energy: -125.965 bonds (distance) P-C4' energy: -134.058 flat angles C4'-P-C4' energy: -142.204 flat angles P-C4'-P energy: -81.416 tors. eta vs tors. theta energy: -114.188 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: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1610.219454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.219454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.219454 (E_RNA) where: Base-Base interactions energy: -1037.766 where: short stacking energy: -471.578 Base-Backbone interact. energy: -0.839 local terms energy: -571.615047 where: bonds (distance) C4'-P energy: -137.537 bonds (distance) P-C4' energy: -145.173 flat angles C4'-P-C4' energy: -138.579 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -67.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1543.701062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.701062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.701062 (E_RNA) where: Base-Base interactions energy: -1048.903 where: short stacking energy: -491.209 Base-Backbone interact. energy: 7.012 local terms energy: -501.810344 where: bonds (distance) C4'-P energy: -115.892 bonds (distance) P-C4' energy: -116.810 flat angles C4'-P-C4' energy: -129.059 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -66.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2981.757534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.757534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.757534 (E_RNA) where: Base-Base interactions energy: -2151.347 where: short stacking energy: -902.350 Base-Backbone interact. energy: -3.936 local terms energy: -826.474133 where: bonds (distance) C4'-P energy: -139.731 bonds (distance) P-C4' energy: -161.484 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -118.902 tors. eta vs tors. theta energy: -227.056 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: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2915.940051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.940051 (E_RNA) where: Base-Base interactions energy: -2091.608 where: short stacking energy: -867.340 Base-Backbone interact. energy: -8.155 local terms energy: -816.177004 where: bonds (distance) C4'-P energy: -153.266 bonds (distance) P-C4' energy: -158.552 flat angles C4'-P-C4' energy: -157.337 flat angles P-C4'-P energy: -117.257 tors. eta vs tors. theta energy: -229.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2786.063995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.063995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.063995 (E_RNA) where: Base-Base interactions energy: -1944.867 where: short stacking energy: -846.612 Base-Backbone interact. energy: -1.422 local terms energy: -839.774637 where: bonds (distance) C4'-P energy: -161.091 bonds (distance) P-C4' energy: -151.073 flat angles C4'-P-C4' energy: -175.331 flat angles P-C4'-P energy: -106.089 tors. eta vs tors. theta energy: -246.190 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: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2599.232174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.232174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.232174 (E_RNA) where: Base-Base interactions energy: -1824.876 where: short stacking energy: -755.355 Base-Backbone interact. energy: -4.440 local terms energy: -769.916310 where: bonds (distance) C4'-P energy: -151.259 bonds (distance) P-C4' energy: -135.995 flat angles C4'-P-C4' energy: -180.826 flat angles P-C4'-P energy: -99.109 tors. eta vs tors. theta energy: -202.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2535.289572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.289572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.289572 (E_RNA) where: Base-Base interactions energy: -1782.599 where: short stacking energy: -727.863 Base-Backbone interact. energy: -0.468 local terms energy: -752.222967 where: bonds (distance) C4'-P energy: -154.126 bonds (distance) P-C4' energy: -132.626 flat angles C4'-P-C4' energy: -168.041 flat angles P-C4'-P energy: -116.915 tors. eta vs tors. theta energy: -180.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2381.891958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.891958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.891958 (E_RNA) where: Base-Base interactions energy: -1664.668 where: short stacking energy: -708.428 Base-Backbone interact. energy: -1.072 local terms energy: -716.151864 where: bonds (distance) C4'-P energy: -133.922 bonds (distance) P-C4' energy: -156.053 flat angles C4'-P-C4' energy: -157.489 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -186.153 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: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2340.201707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.201707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.201707 (E_RNA) where: Base-Base interactions energy: -1624.874 where: short stacking energy: -697.432 Base-Backbone interact. energy: -3.008 local terms energy: -712.320322 where: bonds (distance) C4'-P energy: -139.322 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -169.114 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -179.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -2008.495893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.495893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.495893 (E_RNA) where: Base-Base interactions energy: -1384.220 where: short stacking energy: -600.597 Base-Backbone interact. energy: -1.770 local terms energy: -622.505442 where: bonds (distance) C4'-P energy: -120.866 bonds (distance) P-C4' energy: -124.906 flat angles C4'-P-C4' energy: -145.620 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -136.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1606.384528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.384528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.384528 (E_RNA) where: Base-Base interactions energy: -1034.802 where: short stacking energy: -484.986 Base-Backbone interact. energy: 2.789 local terms energy: -574.371385 where: bonds (distance) C4'-P energy: -118.857 bonds (distance) P-C4' energy: -127.375 flat angles C4'-P-C4' energy: -143.260 flat angles P-C4'-P energy: -91.534 tors. eta vs tors. theta energy: -93.345 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: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1455.433412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.433412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.433412 (E_RNA) where: Base-Base interactions energy: -953.747 where: short stacking energy: -450.092 Base-Backbone interact. energy: 0.671 local terms energy: -502.357991 where: bonds (distance) C4'-P energy: -113.076 bonds (distance) P-C4' energy: -107.353 flat angles C4'-P-C4' energy: -131.408 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -77.027 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: 2 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2969.688575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.688575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.688575 (E_RNA) where: Base-Base interactions energy: -2118.087 where: short stacking energy: -874.283 Base-Backbone interact. energy: -4.995 local terms energy: -846.606623 where: bonds (distance) C4'-P energy: -155.420 bonds (distance) P-C4' energy: -148.221 flat angles C4'-P-C4' energy: -189.207 flat angles P-C4'-P energy: -130.528 tors. eta vs tors. theta energy: -223.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2928.430787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.430787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.430787 (E_RNA) where: Base-Base interactions energy: -2083.003 where: short stacking energy: -858.933 Base-Backbone interact. energy: -4.969 local terms energy: -840.458364 where: bonds (distance) C4'-P energy: -156.866 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -183.368 flat angles P-C4'-P energy: -111.640 tors. eta vs tors. theta energy: -228.961 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: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2782.222704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.222704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.222704 (E_RNA) where: Base-Base interactions energy: -1956.803 where: short stacking energy: -867.376 Base-Backbone interact. energy: -3.193 local terms energy: -822.226489 where: bonds (distance) C4'-P energy: -145.389 bonds (distance) P-C4' energy: -145.423 flat angles C4'-P-C4' energy: -176.859 flat angles P-C4'-P energy: -119.309 tors. eta vs tors. theta energy: -235.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2646.010066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.010066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.010066 (E_RNA) where: Base-Base interactions energy: -1858.636 where: short stacking energy: -796.637 Base-Backbone interact. energy: -0.281 local terms energy: -787.092441 where: bonds (distance) C4'-P energy: -162.144 bonds (distance) P-C4' energy: -134.198 flat angles C4'-P-C4' energy: -178.091 flat angles P-C4'-P energy: -113.876 tors. eta vs tors. theta energy: -198.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2529.094631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.094631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.094631 (E_RNA) where: Base-Base interactions energy: -1810.746 where: short stacking energy: -730.956 Base-Backbone interact. energy: -5.592 local terms energy: -712.756860 where: bonds (distance) C4'-P energy: -150.327 bonds (distance) P-C4' energy: -124.705 flat angles C4'-P-C4' energy: -178.171 flat angles P-C4'-P energy: -86.388 tors. eta vs tors. theta energy: -173.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2399.629503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.629503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.629503 (E_RNA) where: Base-Base interactions energy: -1706.831 where: short stacking energy: -704.175 Base-Backbone interact. energy: 0.596 local terms energy: -693.394236 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -137.603 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -100.827 tors. eta vs tors. theta energy: -168.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2332.706964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.706964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.706964 (E_RNA) where: Base-Base interactions energy: -1653.565 where: short stacking energy: -710.347 Base-Backbone interact. energy: -3.676 local terms energy: -675.466145 where: bonds (distance) C4'-P energy: -127.257 bonds (distance) P-C4' energy: -133.904 flat angles C4'-P-C4' energy: -137.260 flat angles P-C4'-P energy: -97.123 tors. eta vs tors. theta energy: -179.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -2039.058462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.058462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.058462 (E_RNA) where: Base-Base interactions energy: -1433.903 where: short stacking energy: -624.317 Base-Backbone interact. energy: 4.117 local terms energy: -609.272198 where: bonds (distance) C4'-P energy: -136.235 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -139.415 flat angles P-C4'-P energy: -76.242 tors. eta vs tors. theta energy: -133.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1640.821193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.821193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.821193 (E_RNA) where: Base-Base interactions energy: -1066.271 where: short stacking energy: -496.036 Base-Backbone interact. energy: 1.088 local terms energy: -575.638218 where: bonds (distance) C4'-P energy: -115.394 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -141.806 flat angles P-C4'-P energy: -84.426 tors. eta vs tors. theta energy: -98.540 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: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1419.317171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.317171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.317171 (E_RNA) where: Base-Base interactions energy: -918.948 where: short stacking energy: -397.906 Base-Backbone interact. energy: 3.097 local terms energy: -503.466775 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -132.021 flat angles C4'-P-C4' energy: -109.697 flat angles P-C4'-P energy: -90.019 tors. eta vs tors. theta energy: -48.629 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: 204 Temperature: 0.900000 Total energy: -2981.747176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.747176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.747176 (E_RNA) where: Base-Base interactions energy: -2120.037 where: short stacking energy: -857.009 Base-Backbone interact. energy: -4.761 local terms energy: -856.949526 where: bonds (distance) C4'-P energy: -166.901 bonds (distance) P-C4' energy: -165.042 flat angles C4'-P-C4' energy: -175.818 flat angles P-C4'-P energy: -117.712 tors. eta vs tors. theta energy: -231.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2927.598826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.598826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.598826 (E_RNA) where: Base-Base interactions energy: -2110.352 where: short stacking energy: -885.652 Base-Backbone interact. energy: -2.451 local terms energy: -814.795614 where: bonds (distance) C4'-P energy: -146.400 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -178.135 flat angles P-C4'-P energy: -108.037 tors. eta vs tors. theta energy: -225.029 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2768.147321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.147321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.147321 (E_RNA) where: Base-Base interactions energy: -1949.036 where: short stacking energy: -873.683 Base-Backbone interact. energy: -5.668 local terms energy: -813.443761 where: bonds (distance) C4'-P energy: -151.331 bonds (distance) P-C4' energy: -145.831 flat angles C4'-P-C4' energy: -166.292 flat angles P-C4'-P energy: -116.329 tors. eta vs tors. theta energy: -233.661 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: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2656.521085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.521085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.521085 (E_RNA) where: Base-Base interactions energy: -1878.252 where: short stacking energy: -787.039 Base-Backbone interact. energy: -3.927 local terms energy: -774.341658 where: bonds (distance) C4'-P energy: -141.270 bonds (distance) P-C4' energy: -153.757 flat angles C4'-P-C4' energy: -176.189 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -197.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2498.381361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.381361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.381361 (E_RNA) where: Base-Base interactions energy: -1726.314 where: short stacking energy: -704.629 Base-Backbone interact. energy: -2.904 local terms energy: -769.163575 where: bonds (distance) C4'-P energy: -152.578 bonds (distance) P-C4' energy: -158.327 flat angles C4'-P-C4' energy: -170.601 flat angles P-C4'-P energy: -109.011 tors. eta vs tors. theta energy: -178.647 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: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2401.417254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.417254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.417254 (E_RNA) where: Base-Base interactions energy: -1701.487 where: short stacking energy: -690.098 Base-Backbone interact. energy: 3.384 local terms energy: -703.314134 where: bonds (distance) C4'-P energy: -127.517 bonds (distance) P-C4' energy: -136.517 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -99.408 tors. eta vs tors. theta energy: -183.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2344.152071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.152071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.152071 (E_RNA) where: Base-Base interactions energy: -1614.663 where: short stacking energy: -701.970 Base-Backbone interact. energy: 1.017 local terms energy: -730.506222 where: bonds (distance) C4'-P energy: -133.362 bonds (distance) P-C4' energy: -141.635 flat angles C4'-P-C4' energy: -161.625 flat angles P-C4'-P energy: -119.678 tors. eta vs tors. theta energy: -174.206 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: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -2004.720474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.720474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.720474 (E_RNA) where: Base-Base interactions energy: -1412.176 where: short stacking energy: -594.309 Base-Backbone interact. energy: -1.212 local terms energy: -591.332280 where: bonds (distance) C4'-P energy: -107.397 bonds (distance) P-C4' energy: -133.863 flat angles C4'-P-C4' energy: -133.424 flat angles P-C4'-P energy: -91.454 tors. eta vs tors. theta energy: -125.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1682.255601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.255601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.255601 (E_RNA) where: Base-Base interactions energy: -1122.581 where: short stacking energy: -520.720 Base-Backbone interact. energy: -3.035 local terms energy: -556.639156 where: bonds (distance) C4'-P energy: -129.505 bonds (distance) P-C4' energy: -118.274 flat angles C4'-P-C4' energy: -131.330 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -100.157 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: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1365.411533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.411533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.411533 (E_RNA) where: Base-Base interactions energy: -901.607 where: short stacking energy: -409.929 Base-Backbone interact. energy: 1.886 local terms energy: -465.690564 where: bonds (distance) C4'-P energy: -115.648 bonds (distance) P-C4' energy: -123.727 flat angles C4'-P-C4' energy: -107.885 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -48.383 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: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2969.814384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.814384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.814384 (E_RNA) where: Base-Base interactions energy: -2099.694 where: short stacking energy: -843.173 Base-Backbone interact. energy: -5.714 local terms energy: -864.406468 where: bonds (distance) C4'-P energy: -165.300 bonds (distance) P-C4' energy: -155.507 flat angles C4'-P-C4' energy: -183.985 flat angles P-C4'-P energy: -134.419 tors. eta vs tors. theta energy: -225.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2930.509418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.509418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.509418 (E_RNA) where: Base-Base interactions energy: -2096.763 where: short stacking energy: -851.487 Base-Backbone interact. energy: -0.649 local terms energy: -833.097969 where: bonds (distance) C4'-P energy: -147.290 bonds (distance) P-C4' energy: -146.030 flat angles C4'-P-C4' energy: -177.425 flat angles P-C4'-P energy: -128.839 tors. eta vs tors. theta energy: -233.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2785.138277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.138277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.138277 (E_RNA) where: Base-Base interactions energy: -1977.641 where: short stacking energy: -840.313 Base-Backbone interact. energy: -1.198 local terms energy: -806.299283 where: bonds (distance) C4'-P energy: -143.444 bonds (distance) P-C4' energy: -155.748 flat angles C4'-P-C4' energy: -167.345 flat angles P-C4'-P energy: -106.970 tors. eta vs tors. theta energy: -232.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2692.205202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.205202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.205202 (E_RNA) where: Base-Base interactions energy: -1894.095 where: short stacking energy: -777.921 Base-Backbone interact. energy: -3.650 local terms energy: -794.459620 where: bonds (distance) C4'-P energy: -160.647 bonds (distance) P-C4' energy: -149.577 flat angles C4'-P-C4' energy: -179.672 flat angles P-C4'-P energy: -98.681 tors. eta vs tors. theta energy: -205.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2455.563054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.563054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.563054 (E_RNA) where: Base-Base interactions energy: -1744.868 where: short stacking energy: -719.100 Base-Backbone interact. energy: -4.302 local terms energy: -706.392387 where: bonds (distance) C4'-P energy: -138.285 bonds (distance) P-C4' energy: -127.197 flat angles C4'-P-C4' energy: -151.669 flat angles P-C4'-P energy: -111.654 tors. eta vs tors. theta energy: -177.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2384.947865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.947865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.947865 (E_RNA) where: Base-Base interactions energy: -1654.942 where: short stacking energy: -692.576 Base-Backbone interact. energy: -4.577 local terms energy: -725.428462 where: bonds (distance) C4'-P energy: -137.268 bonds (distance) P-C4' energy: -142.208 flat angles C4'-P-C4' energy: -168.511 flat angles P-C4'-P energy: -95.535 tors. eta vs tors. theta energy: -181.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2333.480926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.480926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.480926 (E_RNA) where: Base-Base interactions energy: -1635.294 where: short stacking energy: -700.892 Base-Backbone interact. energy: -0.912 local terms energy: -697.275303 where: bonds (distance) C4'-P energy: -132.315 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -145.817 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -183.125 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: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -2018.933142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.933142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.933142 (E_RNA) where: Base-Base interactions energy: -1377.525 where: short stacking energy: -572.502 Base-Backbone interact. energy: -1.430 local terms energy: -639.978155 where: bonds (distance) C4'-P energy: -140.391 bonds (distance) P-C4' energy: -126.183 flat angles C4'-P-C4' energy: -148.717 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -130.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1625.081576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.081576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.081576 (E_RNA) where: Base-Base interactions energy: -1077.287 where: short stacking energy: -492.619 Base-Backbone interact. energy: -3.136 local terms energy: -544.658222 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -127.935 flat angles P-C4'-P energy: -95.283 tors. eta vs tors. theta energy: -94.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1303.656563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.656563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.656563 (E_RNA) where: Base-Base interactions energy: -810.171 where: short stacking energy: -362.108 Base-Backbone interact. energy: 0.417 local terms energy: -493.903081 where: bonds (distance) C4'-P energy: -118.790 bonds (distance) P-C4' energy: -126.998 flat angles C4'-P-C4' energy: -135.923 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: -33.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3003.669308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.669308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.669308 (E_RNA) where: Base-Base interactions energy: -2141.815 where: short stacking energy: -897.186 Base-Backbone interact. energy: -3.603 local terms energy: -858.250851 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -160.797 flat angles C4'-P-C4' energy: -191.642 flat angles P-C4'-P energy: -131.838 tors. eta vs tors. theta energy: -232.893 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: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2926.912822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.912822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.912822 (E_RNA) where: Base-Base interactions energy: -2086.606 where: short stacking energy: -879.659 Base-Backbone interact. energy: -1.826 local terms energy: -838.480751 where: bonds (distance) C4'-P energy: -153.258 bonds (distance) P-C4' energy: -170.985 flat angles C4'-P-C4' energy: -177.921 flat angles P-C4'-P energy: -118.381 tors. eta vs tors. theta energy: -217.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2775.438348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.438348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.438348 (E_RNA) where: Base-Base interactions energy: -1970.873 where: short stacking energy: -845.997 Base-Backbone interact. energy: -2.798 local terms energy: -801.767380 where: bonds (distance) C4'-P energy: -147.516 bonds (distance) P-C4' energy: -138.815 flat angles C4'-P-C4' energy: -172.203 flat angles P-C4'-P energy: -118.807 tors. eta vs tors. theta energy: -224.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2650.042309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.042309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.042309 (E_RNA) where: Base-Base interactions energy: -1874.082 where: short stacking energy: -744.477 Base-Backbone interact. energy: 0.410 local terms energy: -776.369915 where: bonds (distance) C4'-P energy: -164.151 bonds (distance) P-C4' energy: -142.365 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -117.646 tors. eta vs tors. theta energy: -188.842 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2504.527082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.527082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.527082 (E_RNA) where: Base-Base interactions energy: -1774.343 where: short stacking energy: -722.667 Base-Backbone interact. energy: -1.369 local terms energy: -728.815095 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -155.900 flat angles C4'-P-C4' energy: -156.673 flat angles P-C4'-P energy: -113.028 tors. eta vs tors. theta energy: -174.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2390.957323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.957323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.957323 (E_RNA) where: Base-Base interactions energy: -1639.159 where: short stacking energy: -651.501 Base-Backbone interact. energy: -1.119 local terms energy: -750.679514 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -149.740 flat angles C4'-P-C4' energy: -164.103 flat angles P-C4'-P energy: -103.105 tors. eta vs tors. theta energy: -185.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2287.198696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.198696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.198696 (E_RNA) where: Base-Base interactions energy: -1573.095 where: short stacking energy: -664.472 Base-Backbone interact. energy: -3.846 local terms energy: -710.257731 where: bonds (distance) C4'-P energy: -123.843 bonds (distance) P-C4' energy: -136.612 flat angles C4'-P-C4' energy: -161.609 flat angles P-C4'-P energy: -111.131 tors. eta vs tors. theta energy: -177.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -2018.556716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.556716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.556716 (E_RNA) where: Base-Base interactions energy: -1413.642 where: short stacking energy: -578.942 Base-Backbone interact. energy: 4.056 local terms energy: -608.970768 where: bonds (distance) C4'-P energy: -121.136 bonds (distance) P-C4' energy: -137.411 flat angles C4'-P-C4' energy: -138.737 flat angles P-C4'-P energy: -96.891 tors. eta vs tors. theta energy: -114.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1657.253178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.253178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.253178 (E_RNA) where: Base-Base interactions energy: -1095.006 where: short stacking energy: -517.555 Base-Backbone interact. energy: -1.221 local terms energy: -561.026103 where: bonds (distance) C4'-P energy: -128.815 bonds (distance) P-C4' energy: -125.120 flat angles C4'-P-C4' energy: -142.481 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -100.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1505.756627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.756627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.756627 (E_RNA) where: Base-Base interactions energy: -984.457 where: short stacking energy: -430.389 Base-Backbone interact. energy: -3.630 local terms energy: -517.670122 where: bonds (distance) C4'-P energy: -126.779 bonds (distance) P-C4' energy: -123.369 flat angles C4'-P-C4' energy: -122.302 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -72.105 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: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3005.219324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.219324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.219324 (E_RNA) where: Base-Base interactions energy: -2144.173 where: short stacking energy: -889.574 Base-Backbone interact. energy: -1.941 local terms energy: -859.105973 where: bonds (distance) C4'-P energy: -150.613 bonds (distance) P-C4' energy: -163.233 flat angles C4'-P-C4' energy: -184.024 flat angles P-C4'-P energy: -128.156 tors. eta vs tors. theta energy: -233.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2891.960902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.960902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.960902 (E_RNA) where: Base-Base interactions energy: -2075.337 where: short stacking energy: -859.414 Base-Backbone interact. energy: -3.914 local terms energy: -812.710671 where: bonds (distance) C4'-P energy: -147.786 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -174.641 flat angles P-C4'-P energy: -117.269 tors. eta vs tors. theta energy: -220.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2818.354821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.354821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.354821 (E_RNA) where: Base-Base interactions energy: -1998.999 where: short stacking energy: -889.721 Base-Backbone interact. energy: -3.242 local terms energy: -816.113948 where: bonds (distance) C4'-P energy: -151.116 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -175.083 flat angles P-C4'-P energy: -91.337 tors. eta vs tors. theta energy: -247.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2659.136272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.136272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.136272 (E_RNA) where: Base-Base interactions energy: -1903.443 where: short stacking energy: -788.553 Base-Backbone interact. energy: 1.824 local terms energy: -757.517177 where: bonds (distance) C4'-P energy: -135.703 bonds (distance) P-C4' energy: -143.796 flat angles C4'-P-C4' energy: -169.185 flat angles P-C4'-P energy: -107.571 tors. eta vs tors. theta energy: -201.262 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: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2536.785619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.785619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.785619 (E_RNA) where: Base-Base interactions energy: -1838.258 where: short stacking energy: -737.307 Base-Backbone interact. energy: -3.197 local terms energy: -695.330399 where: bonds (distance) C4'-P energy: -124.073 bonds (distance) P-C4' energy: -148.330 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -97.063 tors. eta vs tors. theta energy: -170.882 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: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2402.210733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.210733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.210733 (E_RNA) where: Base-Base interactions energy: -1697.194 where: short stacking energy: -678.463 Base-Backbone interact. energy: 9.183 local terms energy: -714.200414 where: bonds (distance) C4'-P energy: -132.514 bonds (distance) P-C4' energy: -137.215 flat angles C4'-P-C4' energy: -171.185 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -170.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2305.778274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.778274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.778274 (E_RNA) where: Base-Base interactions energy: -1588.781 where: short stacking energy: -724.153 Base-Backbone interact. energy: -3.192 local terms energy: -713.804989 where: bonds (distance) C4'-P energy: -130.500 bonds (distance) P-C4' energy: -119.458 flat angles C4'-P-C4' energy: -156.212 flat angles P-C4'-P energy: -106.834 tors. eta vs tors. theta energy: -200.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -2155.856692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.856692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.856692 (E_RNA) where: Base-Base interactions energy: -1545.787 where: short stacking energy: -633.482 Base-Backbone interact. energy: 5.857 local terms energy: -615.926869 where: bonds (distance) C4'-P energy: -129.299 bonds (distance) P-C4' energy: -127.736 flat angles C4'-P-C4' energy: -139.226 flat angles P-C4'-P energy: -68.408 tors. eta vs tors. theta energy: -151.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1593.884710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.884710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.884710 (E_RNA) where: Base-Base interactions energy: -1022.940 where: short stacking energy: -479.689 Base-Backbone interact. energy: 4.161 local terms energy: -575.105195 where: bonds (distance) C4'-P energy: -124.445 bonds (distance) P-C4' energy: -151.135 flat angles C4'-P-C4' energy: -125.158 flat angles P-C4'-P energy: -83.771 tors. eta vs tors. theta energy: -90.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1520.513720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.513720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.513720 (E_RNA) where: Base-Base interactions energy: -1009.827 where: short stacking energy: -452.637 Base-Backbone interact. energy: -3.220 local terms energy: -507.466100 where: bonds (distance) C4'-P energy: -121.948 bonds (distance) P-C4' energy: -129.288 flat angles C4'-P-C4' energy: -125.860 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: -60.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3013.537049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.537049 (E_RNA) where: Base-Base interactions energy: -2158.358 where: short stacking energy: -879.453 Base-Backbone interact. energy: -3.467 local terms energy: -851.712133 where: bonds (distance) C4'-P energy: -141.432 bonds (distance) P-C4' energy: -144.859 flat angles C4'-P-C4' energy: -185.201 flat angles P-C4'-P energy: -134.824 tors. eta vs tors. theta energy: -245.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2887.828882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.828882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.828882 (E_RNA) where: Base-Base interactions energy: -2064.816 where: short stacking energy: -847.504 Base-Backbone interact. energy: -3.889 local terms energy: -819.124346 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -145.053 flat angles C4'-P-C4' energy: -182.825 flat angles P-C4'-P energy: -126.131 tors. eta vs tors. theta energy: -216.705 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: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2820.708183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.708183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.708183 (E_RNA) where: Base-Base interactions energy: -1987.983 where: short stacking energy: -862.505 Base-Backbone interact. energy: -1.086 local terms energy: -831.639934 where: bonds (distance) C4'-P energy: -154.447 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -172.178 flat angles P-C4'-P energy: -118.161 tors. eta vs tors. theta energy: -235.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2667.301291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.301291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.301291 (E_RNA) where: Base-Base interactions energy: -1870.574 where: short stacking energy: -766.000 Base-Backbone interact. energy: -2.680 local terms energy: -794.046996 where: bonds (distance) C4'-P energy: -163.050 bonds (distance) P-C4' energy: -153.052 flat angles C4'-P-C4' energy: -173.861 flat angles P-C4'-P energy: -111.876 tors. eta vs tors. theta energy: -192.209 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: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2532.814924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.814924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.814924 (E_RNA) where: Base-Base interactions energy: -1803.364 where: short stacking energy: -726.640 Base-Backbone interact. energy: -2.536 local terms energy: -726.914451 where: bonds (distance) C4'-P energy: -150.647 bonds (distance) P-C4' energy: -138.706 flat angles C4'-P-C4' energy: -156.749 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -178.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2378.855723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.855723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.855723 (E_RNA) where: Base-Base interactions energy: -1688.442 where: short stacking energy: -720.856 Base-Backbone interact. energy: 2.416 local terms energy: -692.829430 where: bonds (distance) C4'-P energy: -115.591 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -156.721 flat angles P-C4'-P energy: -99.523 tors. eta vs tors. theta energy: -182.280 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: 208 Temperature: 1.200000 Total energy: -2310.943885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.943885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.943885 (E_RNA) where: Base-Base interactions energy: -1615.906 where: short stacking energy: -709.801 Base-Backbone interact. energy: -1.736 local terms energy: -693.301853 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -147.945 flat angles C4'-P-C4' energy: -161.280 flat angles P-C4'-P energy: -87.365 tors. eta vs tors. theta energy: -166.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -2068.069871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.069871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.069871 (E_RNA) where: Base-Base interactions energy: -1447.733 where: short stacking energy: -607.615 Base-Backbone interact. energy: 2.814 local terms energy: -623.150494 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -122.055 flat angles C4'-P-C4' energy: -147.946 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -133.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1736.854583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.854583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.854583 (E_RNA) where: Base-Base interactions energy: -1201.447 where: short stacking energy: -512.039 Base-Backbone interact. energy: -2.302 local terms energy: -533.105909 where: bonds (distance) C4'-P energy: -112.081 bonds (distance) P-C4' energy: -123.781 flat angles C4'-P-C4' energy: -136.140 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -96.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1547.874311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.874311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.874311 (E_RNA) where: Base-Base interactions energy: -1012.020 where: short stacking energy: -422.995 Base-Backbone interact. energy: -2.167 local terms energy: -533.687375 where: bonds (distance) C4'-P energy: -118.653 bonds (distance) P-C4' energy: -153.316 flat angles C4'-P-C4' energy: -111.647 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -70.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2982.021536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.021536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.021536 (E_RNA) where: Base-Base interactions energy: -2136.496 where: short stacking energy: -913.829 Base-Backbone interact. energy: -3.767 local terms energy: -841.758557 where: bonds (distance) C4'-P energy: -139.375 bonds (distance) P-C4' energy: -155.573 flat angles C4'-P-C4' energy: -187.783 flat angles P-C4'-P energy: -121.477 tors. eta vs tors. theta energy: -237.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2884.445821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.445821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.445821 (E_RNA) where: Base-Base interactions energy: -2063.540 where: short stacking energy: -848.481 Base-Backbone interact. energy: -4.313 local terms energy: -816.592846 where: bonds (distance) C4'-P energy: -151.721 bonds (distance) P-C4' energy: -140.942 flat angles C4'-P-C4' energy: -189.547 flat angles P-C4'-P energy: -114.759 tors. eta vs tors. theta energy: -219.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2846.637257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.637257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.637257 (E_RNA) where: Base-Base interactions energy: -1999.544 where: short stacking energy: -845.549 Base-Backbone interact. energy: -2.647 local terms energy: -844.446433 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -168.579 flat angles C4'-P-C4' energy: -170.001 flat angles P-C4'-P energy: -124.377 tors. eta vs tors. theta energy: -236.294 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: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2637.603453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.603453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.603453 (E_RNA) where: Base-Base interactions energy: -1879.974 where: short stacking energy: -761.570 Base-Backbone interact. energy: -3.600 local terms energy: -754.029829 where: bonds (distance) C4'-P energy: -139.433 bonds (distance) P-C4' energy: -146.693 flat angles C4'-P-C4' energy: -159.481 flat angles P-C4'-P energy: -118.019 tors. eta vs tors. theta energy: -190.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2561.565277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.565277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.565277 (E_RNA) where: Base-Base interactions energy: -1817.101 where: short stacking energy: -733.119 Base-Backbone interact. energy: -1.622 local terms energy: -742.842137 where: bonds (distance) C4'-P energy: -134.289 bonds (distance) P-C4' energy: -161.918 flat angles C4'-P-C4' energy: -166.210 flat angles P-C4'-P energy: -104.115 tors. eta vs tors. theta energy: -176.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2349.066714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.066714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.066714 (E_RNA) where: Base-Base interactions energy: -1659.462 where: short stacking energy: -683.582 Base-Backbone interact. energy: -1.305 local terms energy: -688.299811 where: bonds (distance) C4'-P energy: -126.786 bonds (distance) P-C4' energy: -152.221 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -163.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2262.116091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.116091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.116091 (E_RNA) where: Base-Base interactions energy: -1593.974 where: short stacking energy: -662.562 Base-Backbone interact. energy: -1.407 local terms energy: -666.735369 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -136.121 flat angles C4'-P-C4' energy: -146.835 flat angles P-C4'-P energy: -82.144 tors. eta vs tors. theta energy: -179.012 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: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -2143.413733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.413733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.413733 (E_RNA) where: Base-Base interactions energy: -1523.852 where: short stacking energy: -609.563 Base-Backbone interact. energy: -2.984 local terms energy: -616.577451 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -125.032 flat angles C4'-P-C4' energy: -148.978 flat angles P-C4'-P energy: -83.085 tors. eta vs tors. theta energy: -137.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1790.569920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.569920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.569920 (E_RNA) where: Base-Base interactions energy: -1215.227 where: short stacking energy: -549.648 Base-Backbone interact. energy: 0.584 local terms energy: -575.926342 where: bonds (distance) C4'-P energy: -121.193 bonds (distance) P-C4' energy: -139.655 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -79.524 tors. eta vs tors. theta energy: -103.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1567.915762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.915762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.915762 (E_RNA) where: Base-Base interactions energy: -1022.264 where: short stacking energy: -486.543 Base-Backbone interact. energy: -0.168 local terms energy: -545.483336 where: bonds (distance) C4'-P energy: -113.940 bonds (distance) P-C4' energy: -137.607 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -72.759 tors. eta vs tors. theta energy: -94.434 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: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3014.125388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.125388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.125388 (E_RNA) where: Base-Base interactions energy: -2165.778 where: short stacking energy: -900.905 Base-Backbone interact. energy: -3.651 local terms energy: -844.696311 where: bonds (distance) C4'-P energy: -134.819 bonds (distance) P-C4' energy: -159.732 flat angles C4'-P-C4' energy: -179.890 flat angles P-C4'-P energy: -128.493 tors. eta vs tors. theta energy: -241.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2878.205060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.205060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.205060 (E_RNA) where: Base-Base interactions energy: -2044.420 where: short stacking energy: -858.467 Base-Backbone interact. energy: -3.898 local terms energy: -829.886992 where: bonds (distance) C4'-P energy: -148.108 bonds (distance) P-C4' energy: -168.596 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -110.729 tors. eta vs tors. theta energy: -225.730 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: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2833.878023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.878023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.878023 (E_RNA) where: Base-Base interactions energy: -2015.284 where: short stacking energy: -877.901 Base-Backbone interact. energy: 1.047 local terms energy: -819.640888 where: bonds (distance) C4'-P energy: -141.089 bonds (distance) P-C4' energy: -147.863 flat angles C4'-P-C4' energy: -170.517 flat angles P-C4'-P energy: -112.791 tors. eta vs tors. theta energy: -247.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2683.441137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.441137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.441137 (E_RNA) where: Base-Base interactions energy: -1907.612 where: short stacking energy: -777.076 Base-Backbone interact. energy: -2.836 local terms energy: -772.993681 where: bonds (distance) C4'-P energy: -147.541 bonds (distance) P-C4' energy: -145.168 flat angles C4'-P-C4' energy: -158.390 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -211.034 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: 7 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2526.098572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.098572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.098572 (E_RNA) where: Base-Base interactions energy: -1811.382 where: short stacking energy: -733.538 Base-Backbone interact. energy: -1.247 local terms energy: -713.469960 where: bonds (distance) C4'-P energy: -133.398 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -161.107 flat angles P-C4'-P energy: -102.585 tors. eta vs tors. theta energy: -187.786 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: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2376.314518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.314518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.314518 (E_RNA) where: Base-Base interactions energy: -1666.360 where: short stacking energy: -673.994 Base-Backbone interact. energy: -1.761 local terms energy: -708.192912 where: bonds (distance) C4'-P energy: -125.570 bonds (distance) P-C4' energy: -150.802 flat angles C4'-P-C4' energy: -164.184 flat angles P-C4'-P energy: -99.938 tors. eta vs tors. theta energy: -167.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2280.916197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.916197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.916197 (E_RNA) where: Base-Base interactions energy: -1581.105 where: short stacking energy: -682.634 Base-Backbone interact. energy: -0.443 local terms energy: -699.368084 where: bonds (distance) C4'-P energy: -139.943 bonds (distance) P-C4' energy: -147.085 flat angles C4'-P-C4' energy: -146.337 flat angles P-C4'-P energy: -91.851 tors. eta vs tors. theta energy: -174.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -2129.625436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.625436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.625436 (E_RNA) where: Base-Base interactions energy: -1506.117 where: short stacking energy: -648.036 Base-Backbone interact. energy: -4.773 local terms energy: -618.734984 where: bonds (distance) C4'-P energy: -122.635 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -144.828 flat angles P-C4'-P energy: -103.433 tors. eta vs tors. theta energy: -142.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1754.239359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.239359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.239359 (E_RNA) where: Base-Base interactions energy: -1217.481 where: short stacking energy: -537.484 Base-Backbone interact. energy: -0.305 local terms energy: -536.453623 where: bonds (distance) C4'-P energy: -115.797 bonds (distance) P-C4' energy: -134.907 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -69.063 tors. eta vs tors. theta energy: -96.242 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: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1540.405441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.405441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.405441 (E_RNA) where: Base-Base interactions energy: -1025.637 where: short stacking energy: -469.836 Base-Backbone interact. energy: 5.650 local terms energy: -520.418334 where: bonds (distance) C4'-P energy: -96.081 bonds (distance) P-C4' energy: -127.785 flat angles C4'-P-C4' energy: -126.740 flat angles P-C4'-P energy: -85.098 tors. eta vs tors. theta energy: -84.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2987.544159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.544159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.544159 (E_RNA) where: Base-Base interactions energy: -2134.875 where: short stacking energy: -886.143 Base-Backbone interact. energy: -0.574 local terms energy: -852.095512 where: bonds (distance) C4'-P energy: -156.002 bonds (distance) P-C4' energy: -160.701 flat angles C4'-P-C4' energy: -172.655 flat angles P-C4'-P energy: -119.561 tors. eta vs tors. theta energy: -243.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2890.757075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.757075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.757075 (E_RNA) where: Base-Base interactions energy: -2052.710 where: short stacking energy: -854.941 Base-Backbone interact. energy: -2.990 local terms energy: -835.057026 where: bonds (distance) C4'-P energy: -154.578 bonds (distance) P-C4' energy: -156.491 flat angles C4'-P-C4' energy: -165.088 flat angles P-C4'-P energy: -124.565 tors. eta vs tors. theta energy: -234.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2821.310735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.310735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.310735 (E_RNA) where: Base-Base interactions energy: -2016.322 where: short stacking energy: -842.912 Base-Backbone interact. energy: -4.166 local terms energy: -800.822227 where: bonds (distance) C4'-P energy: -140.304 bonds (distance) P-C4' energy: -151.572 flat angles C4'-P-C4' energy: -171.239 flat angles P-C4'-P energy: -113.013 tors. eta vs tors. theta energy: -224.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2671.555072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.555072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.555072 (E_RNA) where: Base-Base interactions energy: -1881.979 where: short stacking energy: -788.821 Base-Backbone interact. energy: -3.273 local terms energy: -786.302630 where: bonds (distance) C4'-P energy: -139.870 bonds (distance) P-C4' energy: -159.407 flat angles C4'-P-C4' energy: -170.463 flat angles P-C4'-P energy: -112.373 tors. eta vs tors. theta energy: -204.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2576.530410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.530410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.530410 (E_RNA) where: Base-Base interactions energy: -1841.860 where: short stacking energy: -762.256 Base-Backbone interact. energy: -3.026 local terms energy: -731.644038 where: bonds (distance) C4'-P energy: -148.030 bonds (distance) P-C4' energy: -133.138 flat angles C4'-P-C4' energy: -150.165 flat angles P-C4'-P energy: -118.315 tors. eta vs tors. theta energy: -181.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2401.461520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.461520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.461520 (E_RNA) where: Base-Base interactions energy: -1702.389 where: short stacking energy: -694.039 Base-Backbone interact. energy: -4.116 local terms energy: -694.956259 where: bonds (distance) C4'-P energy: -130.331 bonds (distance) P-C4' energy: -142.019 flat angles C4'-P-C4' energy: -154.240 flat angles P-C4'-P energy: -97.765 tors. eta vs tors. theta energy: -170.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2311.327061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.327061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.327061 (E_RNA) where: Base-Base interactions energy: -1622.242 where: short stacking energy: -671.764 Base-Backbone interact. energy: -2.911 local terms energy: -686.174147 where: bonds (distance) C4'-P energy: -126.285 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -159.650 flat angles P-C4'-P energy: -94.383 tors. eta vs tors. theta energy: -171.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -2120.206309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.206309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.206309 (E_RNA) where: Base-Base interactions energy: -1468.269 where: short stacking energy: -624.273 Base-Backbone interact. energy: -0.893 local terms energy: -651.044618 where: bonds (distance) C4'-P energy: -130.724 bonds (distance) P-C4' energy: -132.369 flat angles C4'-P-C4' energy: -140.548 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -155.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1693.729278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.729278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.729278 (E_RNA) where: Base-Base interactions energy: -1135.106 where: short stacking energy: -492.082 Base-Backbone interact. energy: 2.681 local terms energy: -561.304247 where: bonds (distance) C4'-P energy: -131.316 bonds (distance) P-C4' energy: -136.648 flat angles C4'-P-C4' energy: -129.192 flat angles P-C4'-P energy: -86.700 tors. eta vs tors. theta energy: -77.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1567.031757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.031757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.031757 (E_RNA) where: Base-Base interactions energy: -1047.163 where: short stacking energy: -485.163 Base-Backbone interact. energy: -1.358 local terms energy: -518.510942 where: bonds (distance) C4'-P energy: -112.217 bonds (distance) P-C4' energy: -101.707 flat angles C4'-P-C4' energy: -132.832 flat angles P-C4'-P energy: -92.426 tors. eta vs tors. theta energy: -79.329 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: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2966.869294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.869294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.869294 (E_RNA) where: Base-Base interactions energy: -2104.140 where: short stacking energy: -849.442 Base-Backbone interact. energy: -5.628 local terms energy: -857.101272 where: bonds (distance) C4'-P energy: -157.952 bonds (distance) P-C4' energy: -163.659 flat angles C4'-P-C4' energy: -174.561 flat angles P-C4'-P energy: -129.441 tors. eta vs tors. theta energy: -231.487 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2920.744891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.744891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.744891 (E_RNA) where: Base-Base interactions energy: -2065.958 where: short stacking energy: -886.230 Base-Backbone interact. energy: -8.708 local terms energy: -846.078041 where: bonds (distance) C4'-P energy: -156.827 bonds (distance) P-C4' energy: -149.622 flat angles C4'-P-C4' energy: -176.562 flat angles P-C4'-P energy: -123.055 tors. eta vs tors. theta energy: -240.012 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: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2829.193844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.193844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.193844 (E_RNA) where: Base-Base interactions energy: -2000.371 where: short stacking energy: -868.306 Base-Backbone interact. energy: -3.664 local terms energy: -825.159465 where: bonds (distance) C4'-P energy: -139.256 bonds (distance) P-C4' energy: -163.673 flat angles C4'-P-C4' energy: -175.010 flat angles P-C4'-P energy: -121.441 tors. eta vs tors. theta energy: -225.780 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: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2653.032076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.032076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.032076 (E_RNA) where: Base-Base interactions energy: -1866.463 where: short stacking energy: -757.633 Base-Backbone interact. energy: -6.690 local terms energy: -779.879794 where: bonds (distance) C4'-P energy: -139.905 bonds (distance) P-C4' energy: -151.752 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -107.877 tors. eta vs tors. theta energy: -197.701 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: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2534.279986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.279986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.279986 (E_RNA) where: Base-Base interactions energy: -1812.515 where: short stacking energy: -768.066 Base-Backbone interact. energy: -4.649 local terms energy: -717.116224 where: bonds (distance) C4'-P energy: -138.582 bonds (distance) P-C4' energy: -127.223 flat angles C4'-P-C4' energy: -164.488 flat angles P-C4'-P energy: -99.670 tors. eta vs tors. theta energy: -187.154 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: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2392.061784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.061784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.061784 (E_RNA) where: Base-Base interactions energy: -1696.127 where: short stacking energy: -702.109 Base-Backbone interact. energy: 0.866 local terms energy: -696.800280 where: bonds (distance) C4'-P energy: -127.945 bonds (distance) P-C4' energy: -137.505 flat angles C4'-P-C4' energy: -164.107 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -173.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2318.615601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.615601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.615601 (E_RNA) where: Base-Base interactions energy: -1616.233 where: short stacking energy: -688.935 Base-Backbone interact. energy: 0.252 local terms energy: -702.634553 where: bonds (distance) C4'-P energy: -125.418 bonds (distance) P-C4' energy: -131.071 flat angles C4'-P-C4' energy: -169.263 flat angles P-C4'-P energy: -89.399 tors. eta vs tors. theta energy: -187.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -2101.606679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.606679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.606679 (E_RNA) where: Base-Base interactions energy: -1453.306 where: short stacking energy: -631.048 Base-Backbone interact. energy: -1.283 local terms energy: -647.017537 where: bonds (distance) C4'-P energy: -123.486 bonds (distance) P-C4' energy: -124.419 flat angles C4'-P-C4' energy: -153.314 flat angles P-C4'-P energy: -80.760 tors. eta vs tors. theta energy: -165.038 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1671.739786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.739786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.739786 (E_RNA) where: Base-Base interactions energy: -1121.433 where: short stacking energy: -497.330 Base-Backbone interact. energy: 1.920 local terms energy: -552.227567 where: bonds (distance) C4'-P energy: -132.331 bonds (distance) P-C4' energy: -123.171 flat angles C4'-P-C4' energy: -128.806 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -82.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1568.287172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.287172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.287172 (E_RNA) where: Base-Base interactions energy: -1054.111 where: short stacking energy: -470.705 Base-Backbone interact. energy: 2.737 local terms energy: -516.913094 where: bonds (distance) C4'-P energy: -112.650 bonds (distance) P-C4' energy: -145.954 flat angles C4'-P-C4' energy: -116.034 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -80.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2990.324809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.324809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.324809 (E_RNA) where: Base-Base interactions energy: -2133.757 where: short stacking energy: -891.733 Base-Backbone interact. energy: -5.016 local terms energy: -851.551017 where: bonds (distance) C4'-P energy: -153.491 bonds (distance) P-C4' energy: -175.479 flat angles C4'-P-C4' energy: -174.422 flat angles P-C4'-P energy: -117.587 tors. eta vs tors. theta energy: -230.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2877.007590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.007590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.007590 (E_RNA) where: Base-Base interactions energy: -2020.412 where: short stacking energy: -846.886 Base-Backbone interact. energy: 5.817 local terms energy: -862.412850 where: bonds (distance) C4'-P energy: -169.076 bonds (distance) P-C4' energy: -156.339 flat angles C4'-P-C4' energy: -179.800 flat angles P-C4'-P energy: -125.618 tors. eta vs tors. theta energy: -231.580 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: 213 Temperature: 1.000000 Total energy: -2825.115750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.115750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.115750 (E_RNA) where: Base-Base interactions energy: -2015.358 where: short stacking energy: -845.781 Base-Backbone interact. energy: -5.952 local terms energy: -803.806312 where: bonds (distance) C4'-P energy: -152.362 bonds (distance) P-C4' energy: -150.622 flat angles C4'-P-C4' energy: -166.546 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -228.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2654.818749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.818749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.818749 (E_RNA) where: Base-Base interactions energy: -1897.608 where: short stacking energy: -788.224 Base-Backbone interact. energy: -2.141 local terms energy: -755.069421 where: bonds (distance) C4'-P energy: -118.351 bonds (distance) P-C4' energy: -143.780 flat angles C4'-P-C4' energy: -180.184 flat angles P-C4'-P energy: -103.860 tors. eta vs tors. theta energy: -208.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2507.594581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.594581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.594581 (E_RNA) where: Base-Base interactions energy: -1790.950 where: short stacking energy: -741.691 Base-Backbone interact. energy: -3.450 local terms energy: -713.194407 where: bonds (distance) C4'-P energy: -128.174 bonds (distance) P-C4' energy: -137.807 flat angles C4'-P-C4' energy: -154.030 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -185.117 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: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2371.248965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.248965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.248965 (E_RNA) where: Base-Base interactions energy: -1653.709 where: short stacking energy: -726.850 Base-Backbone interact. energy: -3.395 local terms energy: -714.144114 where: bonds (distance) C4'-P energy: -122.315 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -162.669 flat angles P-C4'-P energy: -111.341 tors. eta vs tors. theta energy: -180.919 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: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2299.688637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.688637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.688637 (E_RNA) where: Base-Base interactions energy: -1611.381 where: short stacking energy: -650.164 Base-Backbone interact. energy: 2.339 local terms energy: -690.647082 where: bonds (distance) C4'-P energy: -127.839 bonds (distance) P-C4' energy: -141.579 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -99.428 tors. eta vs tors. theta energy: -172.092 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: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -2110.056232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.056232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.056232 (E_RNA) where: Base-Base interactions energy: -1464.100 where: short stacking energy: -623.951 Base-Backbone interact. energy: -0.884 local terms energy: -645.071980 where: bonds (distance) C4'-P energy: -136.403 bonds (distance) P-C4' energy: -139.614 flat angles C4'-P-C4' energy: -139.557 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -138.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1710.713544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.713544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.713544 (E_RNA) where: Base-Base interactions energy: -1138.664 where: short stacking energy: -529.661 Base-Backbone interact. energy: -0.282 local terms energy: -571.767346 where: bonds (distance) C4'-P energy: -122.535 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -133.625 flat angles P-C4'-P energy: -85.435 tors. eta vs tors. theta energy: -103.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1514.099574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.099574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.099574 (E_RNA) where: Base-Base interactions energy: -1016.188 where: short stacking energy: -437.989 Base-Backbone interact. energy: 0.360 local terms energy: -498.270838 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -126.508 flat angles C4'-P-C4' energy: -125.548 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -58.393 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: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2978.038666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.038666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.038666 (E_RNA) where: Base-Base interactions energy: -2142.452 where: short stacking energy: -889.012 Base-Backbone interact. energy: -2.619 local terms energy: -832.968404 where: bonds (distance) C4'-P energy: -147.825 bonds (distance) P-C4' energy: -173.141 flat angles C4'-P-C4' energy: -168.848 flat angles P-C4'-P energy: -105.294 tors. eta vs tors. theta energy: -237.861 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2922.861154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.861154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.861154 (E_RNA) where: Base-Base interactions energy: -2066.320 where: short stacking energy: -886.772 Base-Backbone interact. energy: -6.499 local terms energy: -850.042270 where: bonds (distance) C4'-P energy: -146.872 bonds (distance) P-C4' energy: -157.253 flat angles C4'-P-C4' energy: -180.008 flat angles P-C4'-P energy: -126.967 tors. eta vs tors. theta energy: -238.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2807.587331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.587331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.587331 (E_RNA) where: Base-Base interactions energy: -1973.106 where: short stacking energy: -825.994 Base-Backbone interact. energy: -5.324 local terms energy: -829.157336 where: bonds (distance) C4'-P energy: -148.755 bonds (distance) P-C4' energy: -153.920 flat angles C4'-P-C4' energy: -176.288 flat angles P-C4'-P energy: -118.150 tors. eta vs tors. theta energy: -232.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2645.850666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.850666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.850666 (E_RNA) where: Base-Base interactions energy: -1870.791 where: short stacking energy: -780.300 Base-Backbone interact. energy: -2.407 local terms energy: -772.651854 where: bonds (distance) C4'-P energy: -136.729 bonds (distance) P-C4' energy: -150.490 flat angles C4'-P-C4' energy: -183.479 flat angles P-C4'-P energy: -106.281 tors. eta vs tors. theta energy: -195.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2584.262050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.262050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.262050 (E_RNA) where: Base-Base interactions energy: -1840.633 where: short stacking energy: -734.234 Base-Backbone interact. energy: -2.714 local terms energy: -740.915821 where: bonds (distance) C4'-P energy: -137.620 bonds (distance) P-C4' energy: -143.627 flat angles C4'-P-C4' energy: -172.201 flat angles P-C4'-P energy: -99.080 tors. eta vs tors. theta energy: -188.387 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: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2321.751813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.751813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.751813 (E_RNA) where: Base-Base interactions energy: -1609.076 where: short stacking energy: -715.169 Base-Backbone interact. energy: -1.531 local terms energy: -711.144792 where: bonds (distance) C4'-P energy: -143.391 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -153.529 flat angles P-C4'-P energy: -110.073 tors. eta vs tors. theta energy: -177.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2281.863301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.863301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.863301 (E_RNA) where: Base-Base interactions energy: -1599.809 where: short stacking energy: -690.704 Base-Backbone interact. energy: -2.949 local terms energy: -679.105291 where: bonds (distance) C4'-P energy: -127.645 bonds (distance) P-C4' energy: -134.596 flat angles C4'-P-C4' energy: -156.754 flat angles P-C4'-P energy: -96.221 tors. eta vs tors. theta energy: -163.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -2102.482341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.482341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.482341 (E_RNA) where: Base-Base interactions energy: -1448.724 where: short stacking energy: -636.723 Base-Backbone interact. energy: -1.533 local terms energy: -652.225191 where: bonds (distance) C4'-P energy: -124.468 bonds (distance) P-C4' energy: -142.657 flat angles C4'-P-C4' energy: -142.147 flat angles P-C4'-P energy: -101.373 tors. eta vs tors. theta energy: -141.579 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: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1703.929234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.929234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.929234 (E_RNA) where: Base-Base interactions energy: -1165.691 where: short stacking energy: -534.679 Base-Backbone interact. energy: -0.783 local terms energy: -537.455030 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -118.944 flat angles C4'-P-C4' energy: -129.822 flat angles P-C4'-P energy: -73.840 tors. eta vs tors. theta energy: -102.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1495.417566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.417566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.417566 (E_RNA) where: Base-Base interactions energy: -966.852 where: short stacking energy: -415.818 Base-Backbone interact. energy: 3.822 local terms energy: -532.387608 where: bonds (distance) C4'-P energy: -110.117 bonds (distance) P-C4' energy: -120.532 flat angles C4'-P-C4' energy: -127.928 flat angles P-C4'-P energy: -105.106 tors. eta vs tors. theta energy: -68.704 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: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2974.603529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.603529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.603529 (E_RNA) where: Base-Base interactions energy: -2090.848 where: short stacking energy: -869.521 Base-Backbone interact. energy: -8.240 local terms energy: -875.514957 where: bonds (distance) C4'-P energy: -158.728 bonds (distance) P-C4' energy: -170.158 flat angles C4'-P-C4' energy: -184.684 flat angles P-C4'-P energy: -125.620 tors. eta vs tors. theta energy: -236.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2838.906983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.906983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.906983 (E_RNA) where: Base-Base interactions energy: -2026.706 where: short stacking energy: -853.913 Base-Backbone interact. energy: -3.951 local terms energy: -808.249962 where: bonds (distance) C4'-P energy: -142.627 bonds (distance) P-C4' energy: -158.819 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -222.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2782.194061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.194061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.194061 (E_RNA) where: Base-Base interactions energy: -1994.345 where: short stacking energy: -831.010 Base-Backbone interact. energy: -6.532 local terms energy: -781.317051 where: bonds (distance) C4'-P energy: -151.981 bonds (distance) P-C4' energy: -129.931 flat angles C4'-P-C4' energy: -175.410 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -220.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2646.258698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.258698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.258698 (E_RNA) where: Base-Base interactions energy: -1902.987 where: short stacking energy: -768.023 Base-Backbone interact. energy: -1.551 local terms energy: -741.720438 where: bonds (distance) C4'-P energy: -137.091 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -162.480 flat angles P-C4'-P energy: -94.978 tors. eta vs tors. theta energy: -203.992 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: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2521.037327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.037327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.037327 (E_RNA) where: Base-Base interactions energy: -1792.102 where: short stacking energy: -740.637 Base-Backbone interact. energy: 0.949 local terms energy: -729.883923 where: bonds (distance) C4'-P energy: -140.184 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -165.712 flat angles P-C4'-P energy: -100.523 tors. eta vs tors. theta energy: -186.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2386.336589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.336589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.336589 (E_RNA) where: Base-Base interactions energy: -1643.882 where: short stacking energy: -722.525 Base-Backbone interact. energy: -1.759 local terms energy: -740.696206 where: bonds (distance) C4'-P energy: -130.937 bonds (distance) P-C4' energy: -140.309 flat angles C4'-P-C4' energy: -159.398 flat angles P-C4'-P energy: -108.776 tors. eta vs tors. theta energy: -201.275 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: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2205.909766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.909766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.909766 (E_RNA) where: Base-Base interactions energy: -1583.692 where: short stacking energy: -651.604 Base-Backbone interact. energy: -2.081 local terms energy: -620.136625 where: bonds (distance) C4'-P energy: -129.059 bonds (distance) P-C4' energy: -110.959 flat angles C4'-P-C4' energy: -137.493 flat angles P-C4'-P energy: -97.139 tors. eta vs tors. theta energy: -145.485 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: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -2093.079821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.079821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.079821 (E_RNA) where: Base-Base interactions energy: -1431.700 where: short stacking energy: -626.427 Base-Backbone interact. energy: 0.591 local terms energy: -661.971267 where: bonds (distance) C4'-P energy: -132.951 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -161.913 flat angles P-C4'-P energy: -92.616 tors. eta vs tors. theta energy: -145.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1711.542425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.542425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.542425 (E_RNA) where: Base-Base interactions energy: -1106.937 where: short stacking energy: -501.709 Base-Backbone interact. energy: 3.627 local terms energy: -608.233119 where: bonds (distance) C4'-P energy: -135.434 bonds (distance) P-C4' energy: -171.966 flat angles C4'-P-C4' energy: -131.641 flat angles P-C4'-P energy: -76.388 tors. eta vs tors. theta energy: -92.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1526.856022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.856022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.856022 (E_RNA) where: Base-Base interactions energy: -1009.772 where: short stacking energy: -440.312 Base-Backbone interact. energy: 8.807 local terms energy: -525.890870 where: bonds (distance) C4'-P energy: -121.613 bonds (distance) P-C4' energy: -140.075 flat angles C4'-P-C4' energy: -127.131 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -69.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2983.280278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.280278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.280278 (E_RNA) where: Base-Base interactions energy: -2125.494 where: short stacking energy: -872.108 Base-Backbone interact. energy: -2.561 local terms energy: -855.224979 where: bonds (distance) C4'-P energy: -158.853 bonds (distance) P-C4' energy: -162.255 flat angles C4'-P-C4' energy: -174.099 flat angles P-C4'-P energy: -128.083 tors. eta vs tors. theta energy: -231.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2838.958255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.958255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.958255 (E_RNA) where: Base-Base interactions energy: -2024.173 where: short stacking energy: -851.102 Base-Backbone interact. energy: 0.875 local terms energy: -815.659997 where: bonds (distance) C4'-P energy: -157.507 bonds (distance) P-C4' energy: -149.126 flat angles C4'-P-C4' energy: -172.701 flat angles P-C4'-P energy: -120.740 tors. eta vs tors. theta energy: -215.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2821.040350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.040350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.040350 (E_RNA) where: Base-Base interactions energy: -1996.877 where: short stacking energy: -852.627 Base-Backbone interact. energy: 4.252 local terms energy: -828.414409 where: bonds (distance) C4'-P energy: -152.075 bonds (distance) P-C4' energy: -142.546 flat angles C4'-P-C4' energy: -182.464 flat angles P-C4'-P energy: -116.488 tors. eta vs tors. theta energy: -234.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2643.369148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.369148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.369148 (E_RNA) where: Base-Base interactions energy: -1897.746 where: short stacking energy: -787.739 Base-Backbone interact. energy: 0.656 local terms energy: -746.278770 where: bonds (distance) C4'-P energy: -149.678 bonds (distance) P-C4' energy: -134.446 flat angles C4'-P-C4' energy: -165.850 flat angles P-C4'-P energy: -92.860 tors. eta vs tors. theta energy: -203.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2491.861760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.861760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.861760 (E_RNA) where: Base-Base interactions energy: -1736.303 where: short stacking energy: -743.997 Base-Backbone interact. energy: -8.063 local terms energy: -747.495379 where: bonds (distance) C4'-P energy: -146.018 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -167.751 flat angles P-C4'-P energy: -97.080 tors. eta vs tors. theta energy: -183.096 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: 216 Temperature: 1.150000 Total energy: -2407.790029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.790029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.790029 (E_RNA) where: Base-Base interactions energy: -1679.239 where: short stacking energy: -753.862 Base-Backbone interact. energy: 1.351 local terms energy: -729.902660 where: bonds (distance) C4'-P energy: -132.176 bonds (distance) P-C4' energy: -134.471 flat angles C4'-P-C4' energy: -149.326 flat angles P-C4'-P energy: -108.747 tors. eta vs tors. theta energy: -205.183 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: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2227.367311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.367311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.367311 (E_RNA) where: Base-Base interactions energy: -1557.788 where: short stacking energy: -644.641 Base-Backbone interact. energy: -1.921 local terms energy: -667.658115 where: bonds (distance) C4'-P energy: -131.962 bonds (distance) P-C4' energy: -147.681 flat angles C4'-P-C4' energy: -154.142 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -148.352 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: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -2127.394544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.394544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.394544 (E_RNA) where: Base-Base interactions energy: -1471.963 where: short stacking energy: -634.331 Base-Backbone interact. energy: -1.782 local terms energy: -653.649831 where: bonds (distance) C4'-P energy: -126.710 bonds (distance) P-C4' energy: -115.813 flat angles C4'-P-C4' energy: -163.967 flat angles P-C4'-P energy: -100.111 tors. eta vs tors. theta energy: -147.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1705.705634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.705634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.705634 (E_RNA) where: Base-Base interactions energy: -1134.727 where: short stacking energy: -507.216 Base-Backbone interact. energy: -1.076 local terms energy: -569.902634 where: bonds (distance) C4'-P energy: -146.801 bonds (distance) P-C4' energy: -122.036 flat angles C4'-P-C4' energy: -126.215 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -97.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1532.408230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.408230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.408230 (E_RNA) where: Base-Base interactions energy: -1018.941 where: short stacking energy: -487.336 Base-Backbone interact. energy: 0.740 local terms energy: -514.206868 where: bonds (distance) C4'-P energy: -98.730 bonds (distance) P-C4' energy: -132.670 flat angles C4'-P-C4' energy: -130.443 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -80.279 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2996.406721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.406721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.406721 (E_RNA) where: Base-Base interactions energy: -2128.544 where: short stacking energy: -874.954 Base-Backbone interact. energy: -6.002 local terms energy: -861.860390 where: bonds (distance) C4'-P energy: -158.765 bonds (distance) P-C4' energy: -174.575 flat angles C4'-P-C4' energy: -192.795 flat angles P-C4'-P energy: -111.089 tors. eta vs tors. theta energy: -224.637 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: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2869.551774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.551774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.551774 (E_RNA) where: Base-Base interactions energy: -2042.670 where: short stacking energy: -863.867 Base-Backbone interact. energy: 3.563 local terms energy: -830.444831 where: bonds (distance) C4'-P energy: -159.580 bonds (distance) P-C4' energy: -161.701 flat angles C4'-P-C4' energy: -173.703 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -220.224 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: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2824.614861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.614861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.614861 (E_RNA) where: Base-Base interactions energy: -1994.667 where: short stacking energy: -830.471 Base-Backbone interact. energy: -5.656 local terms energy: -824.291896 where: bonds (distance) C4'-P energy: -155.244 bonds (distance) P-C4' energy: -145.084 flat angles C4'-P-C4' energy: -168.275 flat angles P-C4'-P energy: -124.015 tors. eta vs tors. theta energy: -231.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2674.835646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.835646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.835646 (E_RNA) where: Base-Base interactions energy: -1895.861 where: short stacking energy: -767.763 Base-Backbone interact. energy: -3.166 local terms energy: -775.809032 where: bonds (distance) C4'-P energy: -147.062 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -165.323 flat angles P-C4'-P energy: -109.170 tors. eta vs tors. theta energy: -207.131 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: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2510.781071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.781071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.781071 (E_RNA) where: Base-Base interactions energy: -1773.618 where: short stacking energy: -719.136 Base-Backbone interact. energy: -4.508 local terms energy: -732.654950 where: bonds (distance) C4'-P energy: -140.439 bonds (distance) P-C4' energy: -143.648 flat angles C4'-P-C4' energy: -159.550 flat angles P-C4'-P energy: -105.017 tors. eta vs tors. theta energy: -184.001 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: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2345.610441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.610441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.610441 (E_RNA) where: Base-Base interactions energy: -1631.707 where: short stacking energy: -698.248 Base-Backbone interact. energy: 1.349 local terms energy: -715.251876 where: bonds (distance) C4'-P energy: -143.678 bonds (distance) P-C4' energy: -143.022 flat angles C4'-P-C4' energy: -150.459 flat angles P-C4'-P energy: -99.747 tors. eta vs tors. theta energy: -178.346 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: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2185.369953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.369953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.369953 (E_RNA) where: Base-Base interactions energy: -1531.529 where: short stacking energy: -622.646 Base-Backbone interact. energy: -2.569 local terms energy: -651.272330 where: bonds (distance) C4'-P energy: -133.259 bonds (distance) P-C4' energy: -142.885 flat angles C4'-P-C4' energy: -149.249 flat angles P-C4'-P energy: -86.422 tors. eta vs tors. theta energy: -139.459 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: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -2012.087668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.087668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.087668 (E_RNA) where: Base-Base interactions energy: -1403.033 where: short stacking energy: -582.732 Base-Backbone interact. energy: -2.650 local terms energy: -606.404482 where: bonds (distance) C4'-P energy: -113.566 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -144.558 flat angles P-C4'-P energy: -103.245 tors. eta vs tors. theta energy: -126.186 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: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1703.685116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.685116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.685116 (E_RNA) where: Base-Base interactions energy: -1117.523 where: short stacking energy: -518.694 Base-Backbone interact. energy: 0.920 local terms energy: -587.082087 where: bonds (distance) C4'-P energy: -130.667 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -131.112 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -90.372 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: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1559.299100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.299100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.299100 (E_RNA) where: Base-Base interactions energy: -1021.420 where: short stacking energy: -477.416 Base-Backbone interact. energy: 3.867 local terms energy: -541.746116 where: bonds (distance) C4'-P energy: -117.935 bonds (distance) P-C4' energy: -134.874 flat angles C4'-P-C4' energy: -116.220 flat angles P-C4'-P energy: -90.657 tors. eta vs tors. theta energy: -82.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2914.407490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.407490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.407490 (E_RNA) where: Base-Base interactions energy: -2069.918 where: short stacking energy: -879.426 Base-Backbone interact. energy: -1.933 local terms energy: -842.556411 where: bonds (distance) C4'-P energy: -148.263 bonds (distance) P-C4' energy: -164.363 flat angles C4'-P-C4' energy: -177.203 flat angles P-C4'-P energy: -110.340 tors. eta vs tors. theta energy: -242.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2946.163346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.163346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.163346 (E_RNA) where: Base-Base interactions energy: -2107.354 where: short stacking energy: -878.759 Base-Backbone interact. energy: 1.561 local terms energy: -840.370337 where: bonds (distance) C4'-P energy: -140.613 bonds (distance) P-C4' energy: -158.796 flat angles C4'-P-C4' energy: -190.490 flat angles P-C4'-P energy: -127.906 tors. eta vs tors. theta energy: -222.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2822.763573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.763573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.763573 (E_RNA) where: Base-Base interactions energy: -2002.393 where: short stacking energy: -860.676 Base-Backbone interact. energy: -3.355 local terms energy: -817.015478 where: bonds (distance) C4'-P energy: -147.996 bonds (distance) P-C4' energy: -131.992 flat angles C4'-P-C4' energy: -186.487 flat angles P-C4'-P energy: -124.570 tors. eta vs tors. theta energy: -225.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2681.979052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.979052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.979052 (E_RNA) where: Base-Base interactions energy: -1894.754 where: short stacking energy: -766.816 Base-Backbone interact. energy: -3.851 local terms energy: -783.374096 where: bonds (distance) C4'-P energy: -134.396 bonds (distance) P-C4' energy: -141.362 flat angles C4'-P-C4' energy: -176.611 flat angles P-C4'-P energy: -121.858 tors. eta vs tors. theta energy: -209.148 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: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2561.917124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.917124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.917124 (E_RNA) where: Base-Base interactions energy: -1812.825 where: short stacking energy: -746.650 Base-Backbone interact. energy: -3.110 local terms energy: -745.981548 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -143.314 flat angles C4'-P-C4' energy: -165.069 flat angles P-C4'-P energy: -100.354 tors. eta vs tors. theta energy: -182.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2356.118613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.118613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.118613 (E_RNA) where: Base-Base interactions energy: -1632.662 where: short stacking energy: -701.607 Base-Backbone interact. energy: -4.463 local terms energy: -718.994376 where: bonds (distance) C4'-P energy: -156.289 bonds (distance) P-C4' energy: -143.129 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -93.387 tors. eta vs tors. theta energy: -182.918 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2227.524062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.524062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.524062 (E_RNA) where: Base-Base interactions energy: -1557.572 where: short stacking energy: -647.839 Base-Backbone interact. energy: -1.592 local terms energy: -668.360451 where: bonds (distance) C4'-P energy: -119.439 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -154.370 flat angles P-C4'-P energy: -92.724 tors. eta vs tors. theta energy: -162.152 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2032.249852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.249852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.249852 (E_RNA) where: Base-Base interactions energy: -1395.631 where: short stacking energy: -607.050 Base-Backbone interact. energy: 2.536 local terms energy: -639.154368 where: bonds (distance) C4'-P energy: -114.684 bonds (distance) P-C4' energy: -131.248 flat angles C4'-P-C4' energy: -161.092 flat angles P-C4'-P energy: -105.901 tors. eta vs tors. theta energy: -126.231 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: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1719.044574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.044574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.044574 (E_RNA) where: Base-Base interactions energy: -1190.521 where: short stacking energy: -521.852 Base-Backbone interact. energy: -1.492 local terms energy: -527.031562 where: bonds (distance) C4'-P energy: -123.772 bonds (distance) P-C4' energy: -102.675 flat angles C4'-P-C4' energy: -154.103 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -84.556 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: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1423.776199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.776199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.776199 (E_RNA) where: Base-Base interactions energy: -898.092 where: short stacking energy: -413.907 Base-Backbone interact. energy: 0.144 local terms energy: -525.828375 where: bonds (distance) C4'-P energy: -119.799 bonds (distance) P-C4' energy: -135.592 flat angles C4'-P-C4' energy: -127.829 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -64.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2923.057027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.057027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.057027 (E_RNA) where: Base-Base interactions energy: -2061.810 where: short stacking energy: -868.093 Base-Backbone interact. energy: -6.181 local terms energy: -855.066102 where: bonds (distance) C4'-P energy: -161.862 bonds (distance) P-C4' energy: -156.798 flat angles C4'-P-C4' energy: -183.363 flat angles P-C4'-P energy: -131.420 tors. eta vs tors. theta energy: -221.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2927.146831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.146831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.146831 (E_RNA) where: Base-Base interactions energy: -2091.309 where: short stacking energy: -872.664 Base-Backbone interact. energy: -0.739 local terms energy: -835.098895 where: bonds (distance) C4'-P energy: -152.590 bonds (distance) P-C4' energy: -158.592 flat angles C4'-P-C4' energy: -170.291 flat angles P-C4'-P energy: -125.310 tors. eta vs tors. theta energy: -228.316 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: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2806.566558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.566558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.566558 (E_RNA) where: Base-Base interactions energy: -1957.688 where: short stacking energy: -815.858 Base-Backbone interact. energy: -5.542 local terms energy: -843.337074 where: bonds (distance) C4'-P energy: -167.549 bonds (distance) P-C4' energy: -167.928 flat angles C4'-P-C4' energy: -160.622 flat angles P-C4'-P energy: -127.545 tors. eta vs tors. theta energy: -219.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2690.723976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.723976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.723976 (E_RNA) where: Base-Base interactions energy: -1902.312 where: short stacking energy: -807.010 Base-Backbone interact. energy: -4.603 local terms energy: -783.809358 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -154.785 flat angles C4'-P-C4' energy: -167.212 flat angles P-C4'-P energy: -116.074 tors. eta vs tors. theta energy: -215.706 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: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2544.072719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.072719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.072719 (E_RNA) where: Base-Base interactions energy: -1772.346 where: short stacking energy: -758.537 Base-Backbone interact. energy: -2.075 local terms energy: -769.651514 where: bonds (distance) C4'-P energy: -134.628 bonds (distance) P-C4' energy: -161.087 flat angles C4'-P-C4' energy: -167.925 flat angles P-C4'-P energy: -104.988 tors. eta vs tors. theta energy: -201.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2362.398154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.398154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.398154 (E_RNA) where: Base-Base interactions energy: -1638.176 where: short stacking energy: -725.411 Base-Backbone interact. energy: -3.218 local terms energy: -721.004558 where: bonds (distance) C4'-P energy: -133.050 bonds (distance) P-C4' energy: -135.559 flat angles C4'-P-C4' energy: -156.615 flat angles P-C4'-P energy: -98.766 tors. eta vs tors. theta energy: -197.014 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: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2280.163023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.163023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.163023 (E_RNA) where: Base-Base interactions energy: -1611.647 where: short stacking energy: -651.709 Base-Backbone interact. energy: -1.419 local terms energy: -667.097233 where: bonds (distance) C4'-P energy: -130.727 bonds (distance) P-C4' energy: -142.705 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -153.885 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: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -2042.895787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.895787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.895787 (E_RNA) where: Base-Base interactions energy: -1431.481 where: short stacking energy: -589.271 Base-Backbone interact. energy: -3.050 local terms energy: -608.364896 where: bonds (distance) C4'-P energy: -135.657 bonds (distance) P-C4' energy: -116.240 flat angles C4'-P-C4' energy: -146.184 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -119.143 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1708.184072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.184072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.184072 (E_RNA) where: Base-Base interactions energy: -1113.759 where: short stacking energy: -505.905 Base-Backbone interact. energy: 3.584 local terms energy: -598.009082 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -135.031 flat angles C4'-P-C4' energy: -124.327 flat angles P-C4'-P energy: -101.497 tors. eta vs tors. theta energy: -101.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1512.894663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.894663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.894663 (E_RNA) where: Base-Base interactions energy: -986.163 where: short stacking energy: -454.401 Base-Backbone interact. energy: 1.976 local terms energy: -528.707738 where: bonds (distance) C4'-P energy: -129.798 bonds (distance) P-C4' energy: -136.618 flat angles C4'-P-C4' energy: -113.216 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -83.318 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: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2954.782446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.782446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.782446 (E_RNA) where: Base-Base interactions energy: -2112.037 where: short stacking energy: -869.788 Base-Backbone interact. energy: -1.477 local terms energy: -841.268530 where: bonds (distance) C4'-P energy: -148.065 bonds (distance) P-C4' energy: -163.340 flat angles C4'-P-C4' energy: -175.085 flat angles P-C4'-P energy: -112.938 tors. eta vs tors. theta energy: -241.839 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: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2866.095345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.095345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.095345 (E_RNA) where: Base-Base interactions energy: -2018.976 where: short stacking energy: -861.379 Base-Backbone interact. energy: -7.446 local terms energy: -839.673319 where: bonds (distance) C4'-P energy: -147.636 bonds (distance) P-C4' energy: -167.038 flat angles C4'-P-C4' energy: -181.021 flat angles P-C4'-P energy: -120.929 tors. eta vs tors. theta energy: -223.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2792.230383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.230383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.230383 (E_RNA) where: Base-Base interactions energy: -1994.520 where: short stacking energy: -834.471 Base-Backbone interact. energy: -3.874 local terms energy: -793.836444 where: bonds (distance) C4'-P energy: -141.668 bonds (distance) P-C4' energy: -156.821 flat angles C4'-P-C4' energy: -158.528 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -228.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2705.678718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.678718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.678718 (E_RNA) where: Base-Base interactions energy: -1962.948 where: short stacking energy: -807.863 Base-Backbone interact. energy: -2.485 local terms energy: -740.246238 where: bonds (distance) C4'-P energy: -147.300 bonds (distance) P-C4' energy: -139.679 flat angles C4'-P-C4' energy: -154.539 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -199.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2525.825896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.825896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.825896 (E_RNA) where: Base-Base interactions energy: -1783.093 where: short stacking energy: -758.598 Base-Backbone interact. energy: -6.359 local terms energy: -736.373869 where: bonds (distance) C4'-P energy: -144.882 bonds (distance) P-C4' energy: -141.017 flat angles C4'-P-C4' energy: -164.699 flat angles P-C4'-P energy: -105.213 tors. eta vs tors. theta energy: -180.564 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: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2341.904498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.904498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.904498 (E_RNA) where: Base-Base interactions energy: -1609.526 where: short stacking energy: -700.229 Base-Backbone interact. energy: -3.560 local terms energy: -728.818829 where: bonds (distance) C4'-P energy: -127.781 bonds (distance) P-C4' energy: -155.599 flat angles C4'-P-C4' energy: -160.521 flat angles P-C4'-P energy: -100.529 tors. eta vs tors. theta energy: -184.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2247.310850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.310850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.310850 (E_RNA) where: Base-Base interactions energy: -1591.087 where: short stacking energy: -651.714 Base-Backbone interact. energy: 2.181 local terms energy: -658.403931 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -131.309 flat angles C4'-P-C4' energy: -149.773 flat angles P-C4'-P energy: -92.554 tors. eta vs tors. theta energy: -148.504 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: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -2002.519815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.519815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.519815 (E_RNA) where: Base-Base interactions energy: -1399.578 where: short stacking energy: -583.344 Base-Backbone interact. energy: 3.847 local terms energy: -606.789193 where: bonds (distance) C4'-P energy: -138.095 bonds (distance) P-C4' energy: -140.897 flat angles C4'-P-C4' energy: -128.699 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -128.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1736.835779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.835779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.835779 (E_RNA) where: Base-Base interactions energy: -1170.532 where: short stacking energy: -523.832 Base-Backbone interact. energy: 8.071 local terms energy: -574.374886 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -136.933 flat angles C4'-P-C4' energy: -125.320 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -113.526 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: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1500.427528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.427528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.427528 (E_RNA) where: Base-Base interactions energy: -991.512 where: short stacking energy: -439.786 Base-Backbone interact. energy: 3.190 local terms energy: -512.105085 where: bonds (distance) C4'-P energy: -123.034 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -63.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2951.152303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.152303 (E_RNA) where: Base-Base interactions energy: -2092.641 where: short stacking energy: -872.041 Base-Backbone interact. energy: -4.801 local terms energy: -853.710412 where: bonds (distance) C4'-P energy: -165.351 bonds (distance) P-C4' energy: -163.849 flat angles C4'-P-C4' energy: -176.285 flat angles P-C4'-P energy: -115.736 tors. eta vs tors. theta energy: -232.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2888.918896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.918896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.918896 (E_RNA) where: Base-Base interactions energy: -2036.952 where: short stacking energy: -851.245 Base-Backbone interact. energy: -1.682 local terms energy: -850.285673 where: bonds (distance) C4'-P energy: -147.717 bonds (distance) P-C4' energy: -165.694 flat angles C4'-P-C4' energy: -183.492 flat angles P-C4'-P energy: -124.078 tors. eta vs tors. theta energy: -229.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2822.117399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.117399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.117399 (E_RNA) where: Base-Base interactions energy: -2018.438 where: short stacking energy: -826.056 Base-Backbone interact. energy: -3.850 local terms energy: -799.829942 where: bonds (distance) C4'-P energy: -135.600 bonds (distance) P-C4' energy: -149.841 flat angles C4'-P-C4' energy: -171.284 flat angles P-C4'-P energy: -119.669 tors. eta vs tors. theta energy: -223.437 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: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2676.836449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.836449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.836449 (E_RNA) where: Base-Base interactions energy: -1906.378 where: short stacking energy: -798.897 Base-Backbone interact. energy: -4.288 local terms energy: -766.170230 where: bonds (distance) C4'-P energy: -142.940 bonds (distance) P-C4' energy: -142.488 flat angles C4'-P-C4' energy: -179.058 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -209.245 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: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2511.387804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.387804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.387804 (E_RNA) where: Base-Base interactions energy: -1756.805 where: short stacking energy: -756.195 Base-Backbone interact. energy: -3.867 local terms energy: -750.716069 where: bonds (distance) C4'-P energy: -135.958 bonds (distance) P-C4' energy: -144.147 flat angles C4'-P-C4' energy: -166.317 flat angles P-C4'-P energy: -116.197 tors. eta vs tors. theta energy: -188.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2359.993888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.993888 (E_RNA) where: Base-Base interactions energy: -1623.165 where: short stacking energy: -745.285 Base-Backbone interact. energy: -1.501 local terms energy: -735.327906 where: bonds (distance) C4'-P energy: -142.917 bonds (distance) P-C4' energy: -140.019 flat angles C4'-P-C4' energy: -156.886 flat angles P-C4'-P energy: -99.607 tors. eta vs tors. theta energy: -195.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2271.667218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.667218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.667218 (E_RNA) where: Base-Base interactions energy: -1635.086 where: short stacking energy: -662.981 Base-Backbone interact. energy: -2.903 local terms energy: -633.678016 where: bonds (distance) C4'-P energy: -109.109 bonds (distance) P-C4' energy: -130.605 flat angles C4'-P-C4' energy: -144.244 flat angles P-C4'-P energy: -97.192 tors. eta vs tors. theta energy: -152.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2065.829063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.829063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.829063 (E_RNA) where: Base-Base interactions energy: -1434.009 where: short stacking energy: -622.308 Base-Backbone interact. energy: -4.269 local terms energy: -627.550642 where: bonds (distance) C4'-P energy: -113.008 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -129.175 flat angles P-C4'-P energy: -87.970 tors. eta vs tors. theta energy: -158.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1859.236412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.236412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.236412 (E_RNA) where: Base-Base interactions energy: -1284.010 where: short stacking energy: -546.535 Base-Backbone interact. energy: 2.943 local terms energy: -578.169858 where: bonds (distance) C4'-P energy: -115.853 bonds (distance) P-C4' energy: -136.476 flat angles C4'-P-C4' energy: -128.252 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -109.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1539.195117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.195117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.195117 (E_RNA) where: Base-Base interactions energy: -1036.564 where: short stacking energy: -459.904 Base-Backbone interact. energy: -0.568 local terms energy: -502.063186 where: bonds (distance) C4'-P energy: -116.582 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -125.443 flat angles P-C4'-P energy: -66.806 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: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2966.063003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.063003 (E_RNA) where: Base-Base interactions energy: -2106.474 where: short stacking energy: -904.209 Base-Backbone interact. energy: 0.254 local terms energy: -859.843093 where: bonds (distance) C4'-P energy: -166.414 bonds (distance) P-C4' energy: -138.744 flat angles C4'-P-C4' energy: -178.909 flat angles P-C4'-P energy: -132.366 tors. eta vs tors. theta energy: -243.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2899.348240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.348240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.348240 (E_RNA) where: Base-Base interactions energy: -2062.281 where: short stacking energy: -835.288 Base-Backbone interact. energy: -5.039 local terms energy: -832.028581 where: bonds (distance) C4'-P energy: -144.168 bonds (distance) P-C4' energy: -165.794 flat angles C4'-P-C4' energy: -176.132 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -229.616 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2807.083687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.083687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.083687 (E_RNA) where: Base-Base interactions energy: -2005.884 where: short stacking energy: -832.962 Base-Backbone interact. energy: -2.412 local terms energy: -798.787300 where: bonds (distance) C4'-P energy: -156.820 bonds (distance) P-C4' energy: -143.143 flat angles C4'-P-C4' energy: -182.532 flat angles P-C4'-P energy: -93.546 tors. eta vs tors. theta energy: -222.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2682.021337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.021337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.021337 (E_RNA) where: Base-Base interactions energy: -1910.367 where: short stacking energy: -791.651 Base-Backbone interact. energy: -6.291 local terms energy: -765.363472 where: bonds (distance) C4'-P energy: -148.523 bonds (distance) P-C4' energy: -141.190 flat angles C4'-P-C4' energy: -161.328 flat angles P-C4'-P energy: -101.899 tors. eta vs tors. theta energy: -212.423 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: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2458.919234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.919234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.919234 (E_RNA) where: Base-Base interactions energy: -1721.570 where: short stacking energy: -694.845 Base-Backbone interact. energy: -2.377 local terms energy: -734.971807 where: bonds (distance) C4'-P energy: -139.509 bonds (distance) P-C4' energy: -146.415 flat angles C4'-P-C4' energy: -150.820 flat angles P-C4'-P energy: -117.650 tors. eta vs tors. theta energy: -180.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2407.119913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.119913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.119913 (E_RNA) where: Base-Base interactions energy: -1679.480 where: short stacking energy: -758.936 Base-Backbone interact. energy: -1.708 local terms energy: -725.931694 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -154.927 flat angles C4'-P-C4' energy: -148.526 flat angles P-C4'-P energy: -94.492 tors. eta vs tors. theta energy: -206.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2278.443489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.443489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.443489 (E_RNA) where: Base-Base interactions energy: -1637.417 where: short stacking energy: -671.638 Base-Backbone interact. energy: -1.701 local terms energy: -639.325293 where: bonds (distance) C4'-P energy: -102.268 bonds (distance) P-C4' energy: -136.629 flat angles C4'-P-C4' energy: -148.632 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -148.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1998.528939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.528939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.528939 (E_RNA) where: Base-Base interactions energy: -1377.105 where: short stacking energy: -591.155 Base-Backbone interact. energy: -4.357 local terms energy: -617.067417 where: bonds (distance) C4'-P energy: -121.549 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: -131.484 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: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1819.577198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.577198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.577198 (E_RNA) where: Base-Base interactions energy: -1226.614 where: short stacking energy: -501.100 Base-Backbone interact. energy: -1.557 local terms energy: -591.406307 where: bonds (distance) C4'-P energy: -129.381 bonds (distance) P-C4' energy: -124.179 flat angles C4'-P-C4' energy: -136.624 flat angles P-C4'-P energy: -90.557 tors. eta vs tors. theta energy: -110.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1551.673794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.673794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.673794 (E_RNA) where: Base-Base interactions energy: -1022.252 where: short stacking energy: -455.757 Base-Backbone interact. energy: 2.079 local terms energy: -531.500135 where: bonds (distance) C4'-P energy: -122.407 bonds (distance) P-C4' energy: -138.434 flat angles C4'-P-C4' energy: -126.322 flat angles P-C4'-P energy: -77.095 tors. eta vs tors. theta energy: -67.243 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: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2967.128252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.128252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.128252 (E_RNA) where: Base-Base interactions energy: -2128.141 where: short stacking energy: -887.067 Base-Backbone interact. energy: -2.411 local terms energy: -836.576265 where: bonds (distance) C4'-P energy: -146.202 bonds (distance) P-C4' energy: -165.238 flat angles C4'-P-C4' energy: -172.826 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -238.849 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: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2925.014296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.014296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.014296 (E_RNA) where: Base-Base interactions energy: -2058.486 where: short stacking energy: -892.524 Base-Backbone interact. energy: -8.991 local terms energy: -857.537033 where: bonds (distance) C4'-P energy: -171.021 bonds (distance) P-C4' energy: -152.202 flat angles C4'-P-C4' energy: -174.520 flat angles P-C4'-P energy: -120.283 tors. eta vs tors. theta energy: -239.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2799.515525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.515525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.515525 (E_RNA) where: Base-Base interactions energy: -1981.305 where: short stacking energy: -835.831 Base-Backbone interact. energy: -1.235 local terms energy: -816.975830 where: bonds (distance) C4'-P energy: -150.755 bonds (distance) P-C4' energy: -151.110 flat angles C4'-P-C4' energy: -176.320 flat angles P-C4'-P energy: -119.262 tors. eta vs tors. theta energy: -219.528 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: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2691.659356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.659356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.659356 (E_RNA) where: Base-Base interactions energy: -1927.712 where: short stacking energy: -810.914 Base-Backbone interact. energy: -1.396 local terms energy: -762.551476 where: bonds (distance) C4'-P energy: -132.371 bonds (distance) P-C4' energy: -148.551 flat angles C4'-P-C4' energy: -167.349 flat angles P-C4'-P energy: -115.924 tors. eta vs tors. theta energy: -198.356 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: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2490.809157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.809157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.809157 (E_RNA) where: Base-Base interactions energy: -1766.285 where: short stacking energy: -739.038 Base-Backbone interact. energy: -4.751 local terms energy: -719.773808 where: bonds (distance) C4'-P energy: -134.243 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -172.249 flat angles P-C4'-P energy: -101.798 tors. eta vs tors. theta energy: -172.535 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: 223 Temperature: 1.150000 Total energy: -2368.761614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.761614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.761614 (E_RNA) where: Base-Base interactions energy: -1665.487 where: short stacking energy: -725.413 Base-Backbone interact. energy: 5.315 local terms energy: -708.589790 where: bonds (distance) C4'-P energy: -125.246 bonds (distance) P-C4' energy: -123.073 flat angles C4'-P-C4' energy: -156.455 flat angles P-C4'-P energy: -110.105 tors. eta vs tors. theta energy: -193.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2266.974230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.974230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.974230 (E_RNA) where: Base-Base interactions energy: -1577.248 where: short stacking energy: -649.526 Base-Backbone interact. energy: 3.837 local terms energy: -693.563317 where: bonds (distance) C4'-P energy: -135.695 bonds (distance) P-C4' energy: -129.176 flat angles C4'-P-C4' energy: -169.066 flat angles P-C4'-P energy: -95.709 tors. eta vs tors. theta energy: -163.918 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: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2064.587090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.587090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.587090 (E_RNA) where: Base-Base interactions energy: -1410.278 where: short stacking energy: -592.784 Base-Backbone interact. energy: 0.726 local terms energy: -655.035328 where: bonds (distance) C4'-P energy: -144.531 bonds (distance) P-C4' energy: -129.244 flat angles C4'-P-C4' energy: -134.723 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -147.411 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: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1790.094537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.094537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.094537 (E_RNA) where: Base-Base interactions energy: -1219.448 where: short stacking energy: -540.354 Base-Backbone interact. energy: 0.983 local terms energy: -571.629385 where: bonds (distance) C4'-P energy: -136.534 bonds (distance) P-C4' energy: -125.053 flat angles C4'-P-C4' energy: -118.919 flat angles P-C4'-P energy: -81.202 tors. eta vs tors. theta energy: -109.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1647.912964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.912964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.912964 (E_RNA) where: Base-Base interactions energy: -1104.154 where: short stacking energy: -491.488 Base-Backbone interact. energy: 6.308 local terms energy: -550.066506 where: bonds (distance) C4'-P energy: -118.929 bonds (distance) P-C4' energy: -118.580 flat angles C4'-P-C4' energy: -136.252 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -94.635 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: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3008.386769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.386769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.386769 (E_RNA) where: Base-Base interactions energy: -2142.701 where: short stacking energy: -878.288 Base-Backbone interact. energy: -2.112 local terms energy: -863.573696 where: bonds (distance) C4'-P energy: -173.062 bonds (distance) P-C4' energy: -154.625 flat angles C4'-P-C4' energy: -176.324 flat angles P-C4'-P energy: -115.877 tors. eta vs tors. theta energy: -243.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2863.432298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.432298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.432298 (E_RNA) where: Base-Base interactions energy: -2059.631 where: short stacking energy: -848.731 Base-Backbone interact. energy: -4.312 local terms energy: -799.489574 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -135.685 flat angles C4'-P-C4' energy: -178.720 flat angles P-C4'-P energy: -108.710 tors. eta vs tors. theta energy: -224.712 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: 224 Temperature: 1.000000 Total energy: -2802.894679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.894679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.894679 (E_RNA) where: Base-Base interactions energy: -1982.970 where: short stacking energy: -881.765 Base-Backbone interact. energy: -2.178 local terms energy: -817.747091 where: bonds (distance) C4'-P energy: -135.102 bonds (distance) P-C4' energy: -156.917 flat angles C4'-P-C4' energy: -172.359 flat angles P-C4'-P energy: -111.700 tors. eta vs tors. theta energy: -241.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2671.045204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.045204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.045204 (E_RNA) where: Base-Base interactions energy: -1900.828 where: short stacking energy: -775.573 Base-Backbone interact. energy: -3.905 local terms energy: -766.311924 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -144.343 flat angles C4'-P-C4' energy: -179.906 flat angles P-C4'-P energy: -98.619 tors. eta vs tors. theta energy: -208.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2491.886489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.886489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.886489 (E_RNA) where: Base-Base interactions energy: -1777.197 where: short stacking energy: -726.670 Base-Backbone interact. energy: -1.721 local terms energy: -712.968850 where: bonds (distance) C4'-P energy: -131.148 bonds (distance) P-C4' energy: -140.307 flat angles C4'-P-C4' energy: -162.189 flat angles P-C4'-P energy: -106.401 tors. eta vs tors. theta energy: -172.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2370.584618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.584618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.584618 (E_RNA) where: Base-Base interactions energy: -1621.564 where: short stacking energy: -724.139 Base-Backbone interact. energy: -4.259 local terms energy: -744.761293 where: bonds (distance) C4'-P energy: -154.588 bonds (distance) P-C4' energy: -148.207 flat angles C4'-P-C4' energy: -150.012 flat angles P-C4'-P energy: -104.610 tors. eta vs tors. theta energy: -187.345 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: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2219.030185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.030185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.030185 (E_RNA) where: Base-Base interactions energy: -1521.335 where: short stacking energy: -626.457 Base-Backbone interact. energy: -3.170 local terms energy: -694.525085 where: bonds (distance) C4'-P energy: -135.176 bonds (distance) P-C4' energy: -152.530 flat angles C4'-P-C4' energy: -149.139 flat angles P-C4'-P energy: -108.584 tors. eta vs tors. theta energy: -149.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -2029.985124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.985124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.985124 (E_RNA) where: Base-Base interactions energy: -1417.446 where: short stacking energy: -600.485 Base-Backbone interact. energy: -3.676 local terms energy: -608.862908 where: bonds (distance) C4'-P energy: -125.481 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -127.676 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -142.832 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1763.022492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.022492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.022492 (E_RNA) where: Base-Base interactions energy: -1187.695 where: short stacking energy: -531.042 Base-Backbone interact. energy: -2.122 local terms energy: -573.205162 where: bonds (distance) C4'-P energy: -132.920 bonds (distance) P-C4' energy: -124.445 flat angles C4'-P-C4' energy: -120.039 flat angles P-C4'-P energy: -94.529 tors. eta vs tors. theta energy: -101.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1538.461876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.461876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.461876 (E_RNA) where: Base-Base interactions energy: -1048.189 where: short stacking energy: -457.201 Base-Backbone interact. energy: -1.228 local terms energy: -489.044910 where: bonds (distance) C4'-P energy: -117.159 bonds (distance) P-C4' energy: -122.977 flat angles C4'-P-C4' energy: -124.500 flat angles P-C4'-P energy: -50.446 tors. eta vs tors. theta energy: -73.964 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: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3005.500475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.500475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.500475 (E_RNA) where: Base-Base interactions energy: -2121.772 where: short stacking energy: -886.285 Base-Backbone interact. energy: -5.644 local terms energy: -878.083739 where: bonds (distance) C4'-P energy: -166.250 bonds (distance) P-C4' energy: -155.205 flat angles C4'-P-C4' energy: -187.330 flat angles P-C4'-P energy: -127.067 tors. eta vs tors. theta energy: -242.232 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: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2889.826380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.826380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.826380 (E_RNA) where: Base-Base interactions energy: -2065.420 where: short stacking energy: -875.509 Base-Backbone interact. energy: 6.235 local terms energy: -830.641172 where: bonds (distance) C4'-P energy: -156.044 bonds (distance) P-C4' energy: -141.215 flat angles C4'-P-C4' energy: -172.943 flat angles P-C4'-P energy: -118.583 tors. eta vs tors. theta energy: -241.858 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: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2792.739478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.739478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.739478 (E_RNA) where: Base-Base interactions energy: -1973.326 where: short stacking energy: -811.996 Base-Backbone interact. energy: -4.518 local terms energy: -814.895666 where: bonds (distance) C4'-P energy: -160.766 bonds (distance) P-C4' energy: -153.126 flat angles C4'-P-C4' energy: -180.274 flat angles P-C4'-P energy: -107.401 tors. eta vs tors. theta energy: -213.329 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: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2668.332201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.332201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.332201 (E_RNA) where: Base-Base interactions energy: -1895.828 where: short stacking energy: -812.007 Base-Backbone interact. energy: 2.300 local terms energy: -774.803639 where: bonds (distance) C4'-P energy: -141.402 bonds (distance) P-C4' energy: -138.905 flat angles C4'-P-C4' energy: -178.799 flat angles P-C4'-P energy: -103.631 tors. eta vs tors. theta energy: -212.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2484.472409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.472409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.472409 (E_RNA) where: Base-Base interactions energy: -1771.114 where: short stacking energy: -707.087 Base-Backbone interact. energy: -2.308 local terms energy: -711.050709 where: bonds (distance) C4'-P energy: -154.720 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -92.467 tors. eta vs tors. theta energy: -173.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2334.270472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.270472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.270472 (E_RNA) where: Base-Base interactions energy: -1631.783 where: short stacking energy: -678.522 Base-Backbone interact. energy: -2.179 local terms energy: -700.309172 where: bonds (distance) C4'-P energy: -125.473 bonds (distance) P-C4' energy: -133.078 flat angles C4'-P-C4' energy: -159.555 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -173.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2324.074798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.074798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.074798 (E_RNA) where: Base-Base interactions energy: -1643.851 where: short stacking energy: -735.685 Base-Backbone interact. energy: -3.074 local terms energy: -677.150153 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -123.163 flat angles C4'-P-C4' energy: -144.875 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -188.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -2047.679582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.679582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.679582 (E_RNA) where: Base-Base interactions energy: -1408.262 where: short stacking energy: -607.777 Base-Backbone interact. energy: 1.300 local terms energy: -640.716756 where: bonds (distance) C4'-P energy: -102.437 bonds (distance) P-C4' energy: -143.818 flat angles C4'-P-C4' energy: -146.160 flat angles P-C4'-P energy: -102.360 tors. eta vs tors. theta energy: -145.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1729.327893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.327893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.327893 (E_RNA) where: Base-Base interactions energy: -1203.586 where: short stacking energy: -529.964 Base-Backbone interact. energy: -1.827 local terms energy: -523.915171 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -135.632 flat angles C4'-P-C4' energy: -120.983 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -102.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1502.938110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.938110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.938110 (E_RNA) where: Base-Base interactions energy: -971.984 where: short stacking energy: -414.697 Base-Backbone interact. energy: -1.222 local terms energy: -529.731845 where: bonds (distance) C4'-P energy: -126.445 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -130.257 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -58.452 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: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2978.816325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.816325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.816325 (E_RNA) where: Base-Base interactions energy: -2104.732 where: short stacking energy: -883.067 Base-Backbone interact. energy: -6.714 local terms energy: -867.370590 where: bonds (distance) C4'-P energy: -147.293 bonds (distance) P-C4' energy: -169.194 flat angles C4'-P-C4' energy: -187.566 flat angles P-C4'-P energy: -119.379 tors. eta vs tors. theta energy: -243.939 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: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2865.153506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.153506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.153506 (E_RNA) where: Base-Base interactions energy: -2013.416 where: short stacking energy: -862.751 Base-Backbone interact. energy: -5.650 local terms energy: -846.087892 where: bonds (distance) C4'-P energy: -152.510 bonds (distance) P-C4' energy: -155.864 flat angles C4'-P-C4' energy: -177.736 flat angles P-C4'-P energy: -120.446 tors. eta vs tors. theta energy: -239.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2809.259487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.259487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.259487 (E_RNA) where: Base-Base interactions energy: -2005.817 where: short stacking energy: -842.314 Base-Backbone interact. energy: -2.643 local terms energy: -800.799811 where: bonds (distance) C4'-P energy: -137.249 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -172.547 flat angles P-C4'-P energy: -112.398 tors. eta vs tors. theta energy: -219.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2674.761776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.761776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.761776 (E_RNA) where: Base-Base interactions energy: -1896.233 where: short stacking energy: -797.154 Base-Backbone interact. energy: -3.844 local terms energy: -774.684493 where: bonds (distance) C4'-P energy: -133.321 bonds (distance) P-C4' energy: -130.487 flat angles C4'-P-C4' energy: -172.313 flat angles P-C4'-P energy: -128.855 tors. eta vs tors. theta energy: -209.709 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: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2506.465259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.465259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.465259 (E_RNA) where: Base-Base interactions energy: -1781.981 where: short stacking energy: -719.366 Base-Backbone interact. energy: -4.597 local terms energy: -719.887837 where: bonds (distance) C4'-P energy: -156.464 bonds (distance) P-C4' energy: -126.636 flat angles C4'-P-C4' energy: -161.286 flat angles P-C4'-P energy: -105.440 tors. eta vs tors. theta energy: -170.062 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: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2359.264358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.264358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.264358 (E_RNA) where: Base-Base interactions energy: -1674.827 where: short stacking energy: -715.055 Base-Backbone interact. energy: -8.308 local terms energy: -676.129658 where: bonds (distance) C4'-P energy: -125.869 bonds (distance) P-C4' energy: -137.597 flat angles C4'-P-C4' energy: -142.344 flat angles P-C4'-P energy: -85.861 tors. eta vs tors. theta energy: -184.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2382.385853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.385853 (E_RNA) where: Base-Base interactions energy: -1697.947 where: short stacking energy: -752.448 Base-Backbone interact. energy: -5.016 local terms energy: -679.423354 where: bonds (distance) C4'-P energy: -123.340 bonds (distance) P-C4' energy: -130.428 flat angles C4'-P-C4' energy: -157.295 flat angles P-C4'-P energy: -82.609 tors. eta vs tors. theta energy: -185.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2047.233540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.233540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.233540 (E_RNA) where: Base-Base interactions energy: -1415.212 where: short stacking energy: -600.488 Base-Backbone interact. energy: -1.185 local terms energy: -630.836965 where: bonds (distance) C4'-P energy: -119.853 bonds (distance) P-C4' energy: -121.848 flat angles C4'-P-C4' energy: -140.075 flat angles P-C4'-P energy: -101.881 tors. eta vs tors. theta energy: -147.181 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: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1788.067911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.067911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.067911 (E_RNA) where: Base-Base interactions energy: -1210.129 where: short stacking energy: -503.709 Base-Backbone interact. energy: -2.881 local terms energy: -575.058011 where: bonds (distance) C4'-P energy: -126.849 bonds (distance) P-C4' energy: -135.377 flat angles C4'-P-C4' energy: -126.173 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -95.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1577.950550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.950550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.950550 (E_RNA) where: Base-Base interactions energy: -1019.564 where: short stacking energy: -471.320 Base-Backbone interact. energy: -0.558 local terms energy: -557.828212 where: bonds (distance) C4'-P energy: -139.585 bonds (distance) P-C4' energy: -137.045 flat angles C4'-P-C4' energy: -124.130 flat angles P-C4'-P energy: -61.733 tors. eta vs tors. theta energy: -95.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2960.540553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.540553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.540553 (E_RNA) where: Base-Base interactions energy: -2095.590 where: short stacking energy: -900.490 Base-Backbone interact. energy: 1.610 local terms energy: -866.561094 where: bonds (distance) C4'-P energy: -166.728 bonds (distance) P-C4' energy: -161.113 flat angles C4'-P-C4' energy: -181.888 flat angles P-C4'-P energy: -125.815 tors. eta vs tors. theta energy: -231.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2881.580973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.580973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.580973 (E_RNA) where: Base-Base interactions energy: -2056.761 where: short stacking energy: -899.320 Base-Backbone interact. energy: 1.239 local terms energy: -826.059155 where: bonds (distance) C4'-P energy: -156.613 bonds (distance) P-C4' energy: -161.436 flat angles C4'-P-C4' energy: -170.903 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -234.472 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: 3, replica: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2834.603687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.603687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.603687 (E_RNA) where: Base-Base interactions energy: -2001.600 where: short stacking energy: -850.747 Base-Backbone interact. energy: -4.860 local terms energy: -828.143610 where: bonds (distance) C4'-P energy: -164.305 bonds (distance) P-C4' energy: -168.322 flat angles C4'-P-C4' energy: -169.123 flat angles P-C4'-P energy: -90.543 tors. eta vs tors. theta energy: -235.850 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: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2641.451859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.451859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.451859 (E_RNA) where: Base-Base interactions energy: -1870.041 where: short stacking energy: -763.766 Base-Backbone interact. energy: -3.692 local terms energy: -767.718195 where: bonds (distance) C4'-P energy: -144.025 bonds (distance) P-C4' energy: -148.058 flat angles C4'-P-C4' energy: -172.772 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -194.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2524.763064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.763064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.763064 (E_RNA) where: Base-Base interactions energy: -1778.792 where: short stacking energy: -743.491 Base-Backbone interact. energy: -3.397 local terms energy: -742.574512 where: bonds (distance) C4'-P energy: -141.052 bonds (distance) P-C4' energy: -139.468 flat angles C4'-P-C4' energy: -172.370 flat angles P-C4'-P energy: -97.539 tors. eta vs tors. theta energy: -192.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2373.430546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.430546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.430546 (E_RNA) where: Base-Base interactions energy: -1686.187 where: short stacking energy: -691.009 Base-Backbone interact. energy: -3.222 local terms energy: -684.022347 where: bonds (distance) C4'-P energy: -127.123 bonds (distance) P-C4' energy: -153.884 flat angles C4'-P-C4' energy: -141.678 flat angles P-C4'-P energy: -90.146 tors. eta vs tors. theta energy: -171.192 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: 227 Temperature: 1.200000 Total energy: -2402.248232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.248232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.248232 (E_RNA) where: Base-Base interactions energy: -1648.028 where: short stacking energy: -741.106 Base-Backbone interact. energy: -0.071 local terms energy: -754.149783 where: bonds (distance) C4'-P energy: -137.247 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -176.646 flat angles P-C4'-P energy: -102.891 tors. eta vs tors. theta energy: -206.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -2039.604226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.604226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.604226 (E_RNA) where: Base-Base interactions energy: -1408.278 where: short stacking energy: -596.621 Base-Backbone interact. energy: -2.418 local terms energy: -628.908412 where: bonds (distance) C4'-P energy: -127.895 bonds (distance) P-C4' energy: -143.176 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -75.873 tors. eta vs tors. theta energy: -144.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1686.147545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.147545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.147545 (E_RNA) where: Base-Base interactions energy: -1174.588 where: short stacking energy: -516.256 Base-Backbone interact. energy: 1.077 local terms energy: -512.636306 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -125.459 flat angles C4'-P-C4' energy: -121.719 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -79.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1597.856505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.856505 (E_RNA) where: Base-Base interactions energy: -1027.233 where: short stacking energy: -466.255 Base-Backbone interact. energy: -1.954 local terms energy: -568.668846 where: bonds (distance) C4'-P energy: -119.255 bonds (distance) P-C4' energy: -142.225 flat angles C4'-P-C4' energy: -137.164 flat angles P-C4'-P energy: -86.027 tors. eta vs tors. theta energy: -83.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2953.834238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.834238 (E_RNA) where: Base-Base interactions energy: -2087.987 where: short stacking energy: -896.851 Base-Backbone interact. energy: -2.273 local terms energy: -863.574890 where: bonds (distance) C4'-P energy: -151.633 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -185.883 flat angles P-C4'-P energy: -118.476 tors. eta vs tors. theta energy: -247.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2901.634409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.634409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.634409 (E_RNA) where: Base-Base interactions energy: -2045.381 where: short stacking energy: -874.964 Base-Backbone interact. energy: -4.868 local terms energy: -851.385549 where: bonds (distance) C4'-P energy: -156.043 bonds (distance) P-C4' energy: -157.050 flat angles C4'-P-C4' energy: -181.464 flat angles P-C4'-P energy: -118.464 tors. eta vs tors. theta energy: -238.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2834.157192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.157192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.157192 (E_RNA) where: Base-Base interactions energy: -2018.223 where: short stacking energy: -843.132 Base-Backbone interact. energy: -2.788 local terms energy: -813.145994 where: bonds (distance) C4'-P energy: -150.413 bonds (distance) P-C4' energy: -144.505 flat angles C4'-P-C4' energy: -180.867 flat angles P-C4'-P energy: -110.845 tors. eta vs tors. theta energy: -226.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2641.858225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.858225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.858225 (E_RNA) where: Base-Base interactions energy: -1856.071 where: short stacking energy: -786.324 Base-Backbone interact. energy: 2.724 local terms energy: -788.512026 where: bonds (distance) C4'-P energy: -142.251 bonds (distance) P-C4' energy: -158.156 flat angles C4'-P-C4' energy: -166.934 flat angles P-C4'-P energy: -109.176 tors. eta vs tors. theta energy: -211.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2515.089906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.089906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.089906 (E_RNA) where: Base-Base interactions energy: -1795.277 where: short stacking energy: -710.533 Base-Backbone interact. energy: -4.387 local terms energy: -715.425582 where: bonds (distance) C4'-P energy: -132.787 bonds (distance) P-C4' energy: -147.129 flat angles C4'-P-C4' energy: -167.813 flat angles P-C4'-P energy: -92.996 tors. eta vs tors. theta energy: -174.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2374.806122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.806122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.806122 (E_RNA) where: Base-Base interactions energy: -1665.770 where: short stacking energy: -707.774 Base-Backbone interact. energy: 5.383 local terms energy: -714.419345 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -135.172 flat angles C4'-P-C4' energy: -152.569 flat angles P-C4'-P energy: -117.494 tors. eta vs tors. theta energy: -166.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2329.937563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.937563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.937563 (E_RNA) where: Base-Base interactions energy: -1623.448 where: short stacking energy: -703.814 Base-Backbone interact. energy: -3.044 local terms energy: -703.445468 where: bonds (distance) C4'-P energy: -133.589 bonds (distance) P-C4' energy: -133.286 flat angles C4'-P-C4' energy: -150.817 flat angles P-C4'-P energy: -100.338 tors. eta vs tors. theta energy: -185.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -2118.324896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.324896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.324896 (E_RNA) where: Base-Base interactions energy: -1474.771 where: short stacking energy: -609.837 Base-Backbone interact. energy: -3.585 local terms energy: -639.968599 where: bonds (distance) C4'-P energy: -121.404 bonds (distance) P-C4' energy: -141.574 flat angles C4'-P-C4' energy: -156.022 flat angles P-C4'-P energy: -90.985 tors. eta vs tors. theta energy: -129.985 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1677.179702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.179702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.179702 (E_RNA) where: Base-Base interactions energy: -1171.724 where: short stacking energy: -488.126 Base-Backbone interact. energy: -0.944 local terms energy: -504.511860 where: bonds (distance) C4'-P energy: -106.872 bonds (distance) P-C4' energy: -127.752 flat angles C4'-P-C4' energy: -138.183 flat angles P-C4'-P energy: -57.891 tors. eta vs tors. theta energy: -73.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1585.295756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.295756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.295756 (E_RNA) where: Base-Base interactions energy: -1073.595 where: short stacking energy: -481.830 Base-Backbone interact. energy: 2.749 local terms energy: -514.449941 where: bonds (distance) C4'-P energy: -107.534 bonds (distance) P-C4' energy: -133.603 flat angles C4'-P-C4' energy: -120.698 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: -92.648 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: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2965.400644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.400644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.400644 (E_RNA) where: Base-Base interactions energy: -2107.675 where: short stacking energy: -908.711 Base-Backbone interact. energy: -0.395 local terms energy: -857.331168 where: bonds (distance) C4'-P energy: -145.466 bonds (distance) P-C4' energy: -167.633 flat angles C4'-P-C4' energy: -179.417 flat angles P-C4'-P energy: -114.815 tors. eta vs tors. theta energy: -250.001 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: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2894.163147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.163147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.163147 (E_RNA) where: Base-Base interactions energy: -2077.761 where: short stacking energy: -874.457 Base-Backbone interact. energy: -3.359 local terms energy: -813.043491 where: bonds (distance) C4'-P energy: -138.197 bonds (distance) P-C4' energy: -139.486 flat angles C4'-P-C4' energy: -178.146 flat angles P-C4'-P energy: -138.322 tors. eta vs tors. theta energy: -218.893 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: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2843.036872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.036872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.036872 (E_RNA) where: Base-Base interactions energy: -2000.499 where: short stacking energy: -851.863 Base-Backbone interact. energy: -8.122 local terms energy: -834.416415 where: bonds (distance) C4'-P energy: -159.577 bonds (distance) P-C4' energy: -161.634 flat angles C4'-P-C4' energy: -177.367 flat angles P-C4'-P energy: -94.546 tors. eta vs tors. theta energy: -241.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2639.223252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.223252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.223252 (E_RNA) where: Base-Base interactions energy: -1865.388 where: short stacking energy: -765.477 Base-Backbone interact. energy: -1.350 local terms energy: -772.484968 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -160.991 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -104.498 tors. eta vs tors. theta energy: -199.351 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: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2543.274185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.274185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.274185 (E_RNA) where: Base-Base interactions energy: -1816.121 where: short stacking energy: -738.363 Base-Backbone interact. energy: -9.078 local terms energy: -718.075252 where: bonds (distance) C4'-P energy: -128.518 bonds (distance) P-C4' energy: -144.356 flat angles C4'-P-C4' energy: -155.464 flat angles P-C4'-P energy: -102.404 tors. eta vs tors. theta energy: -187.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2304.675864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.675864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.675864 (E_RNA) where: Base-Base interactions energy: -1635.154 where: short stacking energy: -689.311 Base-Backbone interact. energy: -1.250 local terms energy: -668.271706 where: bonds (distance) C4'-P energy: -128.486 bonds (distance) P-C4' energy: -113.526 flat angles C4'-P-C4' energy: -152.505 flat angles P-C4'-P energy: -93.653 tors. eta vs tors. theta energy: -180.101 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: 229 Temperature: 1.200000 Total energy: -2273.624447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.624447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.624447 (E_RNA) where: Base-Base interactions energy: -1584.357 where: short stacking energy: -693.734 Base-Backbone interact. energy: 4.378 local terms energy: -693.646111 where: bonds (distance) C4'-P energy: -137.325 bonds (distance) P-C4' energy: -126.381 flat angles C4'-P-C4' energy: -146.008 flat angles P-C4'-P energy: -98.811 tors. eta vs tors. theta energy: -185.122 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: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2144.023845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.023845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.023845 (E_RNA) where: Base-Base interactions energy: -1527.087 where: short stacking energy: -644.419 Base-Backbone interact. energy: -0.678 local terms energy: -616.258232 where: bonds (distance) C4'-P energy: -121.643 bonds (distance) P-C4' energy: -136.916 flat angles C4'-P-C4' energy: -126.898 flat angles P-C4'-P energy: -81.004 tors. eta vs tors. theta energy: -149.798 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1635.477259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.477259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.477259 (E_RNA) where: Base-Base interactions energy: -1111.318 where: short stacking energy: -467.009 Base-Backbone interact. energy: 7.181 local terms energy: -531.340238 where: bonds (distance) C4'-P energy: -120.123 bonds (distance) P-C4' energy: -133.908 flat angles C4'-P-C4' energy: -116.574 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -82.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1545.486726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.486726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.486726 (E_RNA) where: Base-Base interactions energy: -1042.428 where: short stacking energy: -466.128 Base-Backbone interact. energy: -0.454 local terms energy: -502.604836 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -126.003 flat angles C4'-P-C4' energy: -118.084 flat angles P-C4'-P energy: -62.708 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: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2973.134934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.134934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.134934 (E_RNA) where: Base-Base interactions energy: -2096.158 where: short stacking energy: -925.577 Base-Backbone interact. energy: -0.385 local terms energy: -876.592096 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -153.622 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -134.681 tors. eta vs tors. theta energy: -246.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2903.350901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.350901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.350901 (E_RNA) where: Base-Base interactions energy: -2082.407 where: short stacking energy: -881.158 Base-Backbone interact. energy: -2.537 local terms energy: -818.406753 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -171.506 flat angles P-C4'-P energy: -127.658 tors. eta vs tors. theta energy: -231.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2831.719916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.719916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.719916 (E_RNA) where: Base-Base interactions energy: -2025.339 where: short stacking energy: -879.649 Base-Backbone interact. energy: -7.027 local terms energy: -799.353446 where: bonds (distance) C4'-P energy: -146.440 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -165.605 flat angles P-C4'-P energy: -100.539 tors. eta vs tors. theta energy: -242.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2633.378633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.378633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.378633 (E_RNA) where: Base-Base interactions energy: -1834.887 where: short stacking energy: -787.595 Base-Backbone interact. energy: -2.282 local terms energy: -796.209607 where: bonds (distance) C4'-P energy: -154.077 bonds (distance) P-C4' energy: -137.778 flat angles C4'-P-C4' energy: -180.466 flat angles P-C4'-P energy: -108.465 tors. eta vs tors. theta energy: -215.423 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: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2532.956647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.956647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.956647 (E_RNA) where: Base-Base interactions energy: -1771.068 where: short stacking energy: -739.076 Base-Backbone interact. energy: -4.252 local terms energy: -757.636666 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -141.575 flat angles C4'-P-C4' energy: -171.680 flat angles P-C4'-P energy: -112.265 tors. eta vs tors. theta energy: -186.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2301.738190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.738190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.738190 (E_RNA) where: Base-Base interactions energy: -1605.468 where: short stacking energy: -693.038 Base-Backbone interact. energy: 0.152 local terms energy: -696.422264 where: bonds (distance) C4'-P energy: -134.438 bonds (distance) P-C4' energy: -125.926 flat angles C4'-P-C4' energy: -153.279 flat angles P-C4'-P energy: -113.809 tors. eta vs tors. theta energy: -168.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2236.548486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.548486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.548486 (E_RNA) where: Base-Base interactions energy: -1531.500 where: short stacking energy: -660.692 Base-Backbone interact. energy: 3.275 local terms energy: -708.323865 where: bonds (distance) C4'-P energy: -135.921 bonds (distance) P-C4' energy: -146.232 flat angles C4'-P-C4' energy: -149.526 flat angles P-C4'-P energy: -100.967 tors. eta vs tors. theta energy: -175.677 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: 3 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2229.319373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.319373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.319373 (E_RNA) where: Base-Base interactions energy: -1522.074 where: short stacking energy: -654.358 Base-Backbone interact. energy: -1.921 local terms energy: -705.324801 where: bonds (distance) C4'-P energy: -132.547 bonds (distance) P-C4' energy: -129.940 flat angles C4'-P-C4' energy: -154.661 flat angles P-C4'-P energy: -104.585 tors. eta vs tors. theta energy: -183.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1682.529986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.529986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.529986 (E_RNA) where: Base-Base interactions energy: -1129.115 where: short stacking energy: -479.444 Base-Backbone interact. energy: 2.701 local terms energy: -556.115916 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -117.388 flat angles C4'-P-C4' energy: -149.601 flat angles P-C4'-P energy: -81.958 tors. eta vs tors. theta energy: -92.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1594.085045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.085045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.085045 (E_RNA) where: Base-Base interactions energy: -1076.726 where: short stacking energy: -500.287 Base-Backbone interact. energy: 0.403 local terms energy: -517.762171 where: bonds (distance) C4'-P energy: -130.814 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -106.323 flat angles P-C4'-P energy: -70.759 tors. eta vs tors. theta energy: -93.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2983.660674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.660674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.660674 (E_RNA) where: Base-Base interactions energy: -2094.656 where: short stacking energy: -906.486 Base-Backbone interact. energy: -1.348 local terms energy: -887.657046 where: bonds (distance) C4'-P energy: -158.878 bonds (distance) P-C4' energy: -169.182 flat angles C4'-P-C4' energy: -185.844 flat angles P-C4'-P energy: -129.163 tors. eta vs tors. theta energy: -244.591 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: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2864.925742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.925742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.925742 (E_RNA) where: Base-Base interactions energy: -2033.121 where: short stacking energy: -849.836 Base-Backbone interact. energy: -3.619 local terms energy: -828.186215 where: bonds (distance) C4'-P energy: -152.046 bonds (distance) P-C4' energy: -167.403 flat angles C4'-P-C4' energy: -175.093 flat angles P-C4'-P energy: -113.251 tors. eta vs tors. theta energy: -220.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2866.370156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.370156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.370156 (E_RNA) where: Base-Base interactions energy: -2039.729 where: short stacking energy: -816.658 Base-Backbone interact. energy: -2.429 local terms energy: -824.211862 where: bonds (distance) C4'-P energy: -157.772 bonds (distance) P-C4' energy: -158.167 flat angles C4'-P-C4' energy: -176.248 flat angles P-C4'-P energy: -111.787 tors. eta vs tors. theta energy: -220.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2623.572925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.572925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.572925 (E_RNA) where: Base-Base interactions energy: -1810.738 where: short stacking energy: -755.543 Base-Backbone interact. energy: -7.912 local terms energy: -804.922181 where: bonds (distance) C4'-P energy: -138.369 bonds (distance) P-C4' energy: -170.221 flat angles C4'-P-C4' energy: -176.427 flat angles P-C4'-P energy: -115.578 tors. eta vs tors. theta energy: -204.328 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: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2545.576626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.576626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.576626 (E_RNA) where: Base-Base interactions energy: -1801.435 where: short stacking energy: -744.069 Base-Backbone interact. energy: -8.204 local terms energy: -735.937821 where: bonds (distance) C4'-P energy: -135.240 bonds (distance) P-C4' energy: -159.446 flat angles C4'-P-C4' energy: -152.085 flat angles P-C4'-P energy: -110.812 tors. eta vs tors. theta energy: -178.355 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: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2280.733399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.733399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.733399 (E_RNA) where: Base-Base interactions energy: -1637.456 where: short stacking energy: -642.646 Base-Backbone interact. energy: 0.143 local terms energy: -643.420334 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -153.793 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -149.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2200.400352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.400352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.400352 (E_RNA) where: Base-Base interactions energy: -1543.155 where: short stacking energy: -654.846 Base-Backbone interact. energy: -1.422 local terms energy: -655.822764 where: bonds (distance) C4'-P energy: -107.326 bonds (distance) P-C4' energy: -158.143 flat angles C4'-P-C4' energy: -149.633 flat angles P-C4'-P energy: -89.243 tors. eta vs tors. theta energy: -151.478 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: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -2207.827944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.827944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.827944 (E_RNA) where: Base-Base interactions energy: -1523.009 where: short stacking energy: -660.559 Base-Backbone interact. energy: -3.562 local terms energy: -681.256869 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -147.417 flat angles C4'-P-C4' energy: -150.967 flat angles P-C4'-P energy: -95.307 tors. eta vs tors. theta energy: -174.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1744.955194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.955194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.955194 (E_RNA) where: Base-Base interactions energy: -1218.142 where: short stacking energy: -538.035 Base-Backbone interact. energy: 6.276 local terms energy: -533.089959 where: bonds (distance) C4'-P energy: -129.499 bonds (distance) P-C4' energy: -124.881 flat angles C4'-P-C4' energy: -122.630 flat angles P-C4'-P energy: -59.724 tors. eta vs tors. theta energy: -96.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1521.035181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.035181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.035181 (E_RNA) where: Base-Base interactions energy: -962.750 where: short stacking energy: -453.187 Base-Backbone interact. energy: 5.460 local terms energy: -563.744663 where: bonds (distance) C4'-P energy: -137.562 bonds (distance) P-C4' energy: -131.665 flat angles C4'-P-C4' energy: -133.322 flat angles P-C4'-P energy: -78.068 tors. eta vs tors. theta energy: -83.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2956.916906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.916906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.916906 (E_RNA) where: Base-Base interactions energy: -2108.004 where: short stacking energy: -901.179 Base-Backbone interact. energy: -3.581 local terms energy: -845.331878 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -170.072 flat angles C4'-P-C4' energy: -186.053 flat angles P-C4'-P energy: -117.688 tors. eta vs tors. theta energy: -229.158 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: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2865.387287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.387287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.387287 (E_RNA) where: Base-Base interactions energy: -2022.942 where: short stacking energy: -854.554 Base-Backbone interact. energy: -1.071 local terms energy: -841.374034 where: bonds (distance) C4'-P energy: -152.368 bonds (distance) P-C4' energy: -150.512 flat angles C4'-P-C4' energy: -185.136 flat angles P-C4'-P energy: -120.778 tors. eta vs tors. theta energy: -232.580 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: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2874.492944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.492944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.492944 (E_RNA) where: Base-Base interactions energy: -2020.368 where: short stacking energy: -851.860 Base-Backbone interact. energy: -1.452 local terms energy: -852.673809 where: bonds (distance) C4'-P energy: -164.824 bonds (distance) P-C4' energy: -168.828 flat angles C4'-P-C4' energy: -177.447 flat angles P-C4'-P energy: -122.524 tors. eta vs tors. theta energy: -219.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2611.407486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.407486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.407486 (E_RNA) where: Base-Base interactions energy: -1846.316 where: short stacking energy: -790.293 Base-Backbone interact. energy: -6.450 local terms energy: -758.641357 where: bonds (distance) C4'-P energy: -116.966 bonds (distance) P-C4' energy: -153.923 flat angles C4'-P-C4' energy: -168.922 flat angles P-C4'-P energy: -111.322 tors. eta vs tors. theta energy: -207.508 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: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2498.320026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.320026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.320026 (E_RNA) where: Base-Base interactions energy: -1734.454 where: short stacking energy: -730.081 Base-Backbone interact. energy: -6.871 local terms energy: -756.995937 where: bonds (distance) C4'-P energy: -136.763 bonds (distance) P-C4' energy: -159.604 flat angles C4'-P-C4' energy: -161.150 flat angles P-C4'-P energy: -107.963 tors. eta vs tors. theta energy: -191.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2243.466956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.466956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.466956 (E_RNA) where: Base-Base interactions energy: -1562.543 where: short stacking energy: -685.165 Base-Backbone interact. energy: 2.528 local terms energy: -683.452455 where: bonds (distance) C4'-P energy: -141.558 bonds (distance) P-C4' energy: -151.262 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -70.714 tors. eta vs tors. theta energy: -167.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2277.553968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.553968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.553968 (E_RNA) where: Base-Base interactions energy: -1567.681 where: short stacking energy: -677.719 Base-Backbone interact. energy: -3.580 local terms energy: -706.292386 where: bonds (distance) C4'-P energy: -111.127 bonds (distance) P-C4' energy: -144.364 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -111.278 tors. eta vs tors. theta energy: -191.137 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: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -2097.543627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.543627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.543627 (E_RNA) where: Base-Base interactions energy: -1451.242 where: short stacking energy: -629.596 Base-Backbone interact. energy: 2.393 local terms energy: -648.694268 where: bonds (distance) C4'-P energy: -114.645 bonds (distance) P-C4' energy: -129.785 flat angles C4'-P-C4' energy: -158.228 flat angles P-C4'-P energy: -93.564 tors. eta vs tors. theta energy: -152.472 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1709.977767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.977767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.977767 (E_RNA) where: Base-Base interactions energy: -1189.746 where: short stacking energy: -515.804 Base-Backbone interact. energy: -2.301 local terms energy: -517.930339 where: bonds (distance) C4'-P energy: -106.455 bonds (distance) P-C4' energy: -122.437 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1493.436429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.436429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.436429 (E_RNA) where: Base-Base interactions energy: -952.646 where: short stacking energy: -460.472 Base-Backbone interact. energy: 0.985 local terms energy: -541.775082 where: bonds (distance) C4'-P energy: -134.965 bonds (distance) P-C4' energy: -131.860 flat angles C4'-P-C4' energy: -131.953 flat angles P-C4'-P energy: -79.305 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2939.154892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.154892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.154892 (E_RNA) where: Base-Base interactions energy: -2082.661 where: short stacking energy: -864.683 Base-Backbone interact. energy: -2.683 local terms energy: -853.810685 where: bonds (distance) C4'-P energy: -147.600 bonds (distance) P-C4' energy: -162.633 flat angles C4'-P-C4' energy: -193.507 flat angles P-C4'-P energy: -124.200 tors. eta vs tors. theta energy: -225.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2918.174984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.174984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.174984 (E_RNA) where: Base-Base interactions energy: -2060.329 where: short stacking energy: -857.231 Base-Backbone interact. energy: -4.269 local terms energy: -853.577410 where: bonds (distance) C4'-P energy: -160.301 bonds (distance) P-C4' energy: -156.642 flat angles C4'-P-C4' energy: -170.291 flat angles P-C4'-P energy: -128.683 tors. eta vs tors. theta energy: -237.660 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: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2841.892883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.892883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.892883 (E_RNA) where: Base-Base interactions energy: -2007.738 where: short stacking energy: -861.427 Base-Backbone interact. energy: -0.719 local terms energy: -833.435457 where: bonds (distance) C4'-P energy: -162.121 bonds (distance) P-C4' energy: -164.686 flat angles C4'-P-C4' energy: -171.559 flat angles P-C4'-P energy: -116.391 tors. eta vs tors. theta energy: -218.678 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: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2600.006834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.006834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.006834 (E_RNA) where: Base-Base interactions energy: -1874.445 where: short stacking energy: -756.061 Base-Backbone interact. energy: -1.430 local terms energy: -724.132595 where: bonds (distance) C4'-P energy: -118.839 bonds (distance) P-C4' energy: -137.299 flat angles C4'-P-C4' energy: -171.819 flat angles P-C4'-P energy: -100.333 tors. eta vs tors. theta energy: -195.842 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: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2496.603860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.603860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.603860 (E_RNA) where: Base-Base interactions energy: -1780.468 where: short stacking energy: -744.816 Base-Backbone interact. energy: -4.013 local terms energy: -712.122955 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -153.982 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -90.984 tors. eta vs tors. theta energy: -169.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2340.112377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.112377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.112377 (E_RNA) where: Base-Base interactions energy: -1588.576 where: short stacking energy: -705.610 Base-Backbone interact. energy: -2.870 local terms energy: -748.666526 where: bonds (distance) C4'-P energy: -145.934 bonds (distance) P-C4' energy: -140.487 flat angles C4'-P-C4' energy: -164.859 flat angles P-C4'-P energy: -110.654 tors. eta vs tors. theta energy: -186.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2160.271213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.271213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.271213 (E_RNA) where: Base-Base interactions energy: -1481.984 where: short stacking energy: -648.673 Base-Backbone interact. energy: 0.655 local terms energy: -678.942352 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -153.403 flat angles C4'-P-C4' energy: -150.822 flat angles P-C4'-P energy: -90.791 tors. eta vs tors. theta energy: -161.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -2041.273328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.273328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.273328 (E_RNA) where: Base-Base interactions energy: -1407.011 where: short stacking energy: -630.814 Base-Backbone interact. energy: 1.408 local terms energy: -635.670501 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -131.375 flat angles C4'-P-C4' energy: -145.020 flat angles P-C4'-P energy: -103.992 tors. eta vs tors. theta energy: -139.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1719.166115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.166115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.166115 (E_RNA) where: Base-Base interactions energy: -1115.725 where: short stacking energy: -507.371 Base-Backbone interact. energy: 1.010 local terms energy: -604.450942 where: bonds (distance) C4'-P energy: -127.357 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -138.521 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -109.786 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: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1545.068012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.068012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.068012 (E_RNA) where: Base-Base interactions energy: -1034.291 where: short stacking energy: -473.231 Base-Backbone interact. energy: 4.604 local terms energy: -515.380713 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -119.704 flat angles C4'-P-C4' energy: -112.294 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: -92.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2972.075658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.075658 (E_RNA) where: Base-Base interactions energy: -2109.641 where: short stacking energy: -879.403 Base-Backbone interact. energy: -3.755 local terms energy: -858.679385 where: bonds (distance) C4'-P energy: -163.810 bonds (distance) P-C4' energy: -154.504 flat angles C4'-P-C4' energy: -174.606 flat angles P-C4'-P energy: -127.122 tors. eta vs tors. theta energy: -238.637 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: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2912.049342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.049342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.049342 (E_RNA) where: Base-Base interactions energy: -2083.421 where: short stacking energy: -871.734 Base-Backbone interact. energy: -0.600 local terms energy: -828.027938 where: bonds (distance) C4'-P energy: -151.567 bonds (distance) P-C4' energy: -153.465 flat angles C4'-P-C4' energy: -173.227 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -233.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2787.686626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.686626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.686626 (E_RNA) where: Base-Base interactions energy: -1981.111 where: short stacking energy: -836.149 Base-Backbone interact. energy: -5.388 local terms energy: -801.187734 where: bonds (distance) C4'-P energy: -150.690 bonds (distance) P-C4' energy: -143.254 flat angles C4'-P-C4' energy: -173.829 flat angles P-C4'-P energy: -108.819 tors. eta vs tors. theta energy: -224.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2621.027456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.027456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.027456 (E_RNA) where: Base-Base interactions energy: -1840.745 where: short stacking energy: -767.290 Base-Backbone interact. energy: -2.774 local terms energy: -777.508581 where: bonds (distance) C4'-P energy: -159.738 bonds (distance) P-C4' energy: -139.202 flat angles C4'-P-C4' energy: -169.996 flat angles P-C4'-P energy: -107.317 tors. eta vs tors. theta energy: -201.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2528.076885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.076885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.076885 (E_RNA) where: Base-Base interactions energy: -1784.923 where: short stacking energy: -739.132 Base-Backbone interact. energy: -3.127 local terms energy: -740.026281 where: bonds (distance) C4'-P energy: -154.462 bonds (distance) P-C4' energy: -142.926 flat angles C4'-P-C4' energy: -166.051 flat angles P-C4'-P energy: -99.202 tors. eta vs tors. theta energy: -177.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2346.346864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.346864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.346864 (E_RNA) where: Base-Base interactions energy: -1622.139 where: short stacking energy: -729.170 Base-Backbone interact. energy: -3.181 local terms energy: -721.026914 where: bonds (distance) C4'-P energy: -135.039 bonds (distance) P-C4' energy: -131.999 flat angles C4'-P-C4' energy: -153.535 flat angles P-C4'-P energy: -101.318 tors. eta vs tors. theta energy: -199.137 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: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2166.667494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.667494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.667494 (E_RNA) where: Base-Base interactions energy: -1504.074 where: short stacking energy: -618.804 Base-Backbone interact. energy: -2.292 local terms energy: -660.301506 where: bonds (distance) C4'-P energy: -145.697 bonds (distance) P-C4' energy: -119.287 flat angles C4'-P-C4' energy: -159.543 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -146.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -2057.579245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.579245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.579245 (E_RNA) where: Base-Base interactions energy: -1424.123 where: short stacking energy: -606.417 Base-Backbone interact. energy: -3.269 local terms energy: -630.187947 where: bonds (distance) C4'-P energy: -122.823 bonds (distance) P-C4' energy: -151.189 flat angles C4'-P-C4' energy: -144.574 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -132.219 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: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1620.355202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.355202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.355202 (E_RNA) where: Base-Base interactions energy: -1084.076 where: short stacking energy: -488.192 Base-Backbone interact. energy: 1.866 local terms energy: -538.145069 where: bonds (distance) C4'-P energy: -129.736 bonds (distance) P-C4' energy: -129.495 flat angles C4'-P-C4' energy: -104.442 flat angles P-C4'-P energy: -86.085 tors. eta vs tors. theta energy: -88.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1474.268584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.268584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.268584 (E_RNA) where: Base-Base interactions energy: -961.789 where: short stacking energy: -452.837 Base-Backbone interact. energy: -0.455 local terms energy: -512.024692 where: bonds (distance) C4'-P energy: -118.931 bonds (distance) P-C4' energy: -126.297 flat angles C4'-P-C4' energy: -114.205 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -68.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3008.688103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.688103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.688103 (E_RNA) where: Base-Base interactions energy: -2122.096 where: short stacking energy: -878.269 Base-Backbone interact. energy: -4.227 local terms energy: -882.365378 where: bonds (distance) C4'-P energy: -164.838 bonds (distance) P-C4' energy: -178.396 flat angles C4'-P-C4' energy: -185.501 flat angles P-C4'-P energy: -121.828 tors. eta vs tors. theta energy: -231.803 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: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2904.202824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.202824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.202824 (E_RNA) where: Base-Base interactions energy: -2068.356 where: short stacking energy: -856.749 Base-Backbone interact. energy: -2.531 local terms energy: -833.315212 where: bonds (distance) C4'-P energy: -148.075 bonds (distance) P-C4' energy: -162.990 flat angles C4'-P-C4' energy: -179.678 flat angles P-C4'-P energy: -112.906 tors. eta vs tors. theta energy: -229.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2830.949049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.949049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.949049 (E_RNA) where: Base-Base interactions energy: -1981.419 where: short stacking energy: -827.997 Base-Backbone interact. energy: -3.144 local terms energy: -846.385874 where: bonds (distance) C4'-P energy: -168.258 bonds (distance) P-C4' energy: -153.251 flat angles C4'-P-C4' energy: -176.461 flat angles P-C4'-P energy: -114.981 tors. eta vs tors. theta energy: -233.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2677.677618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.677618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.677618 (E_RNA) where: Base-Base interactions energy: -1888.805 where: short stacking energy: -778.015 Base-Backbone interact. energy: 0.481 local terms energy: -789.353896 where: bonds (distance) C4'-P energy: -149.793 bonds (distance) P-C4' energy: -164.327 flat angles C4'-P-C4' energy: -166.580 flat angles P-C4'-P energy: -110.835 tors. eta vs tors. theta energy: -197.819 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: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2499.035146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.035146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.035146 (E_RNA) where: Base-Base interactions energy: -1795.057 where: short stacking energy: -746.214 Base-Backbone interact. energy: -0.784 local terms energy: -703.194095 where: bonds (distance) C4'-P energy: -129.941 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -136.772 flat angles P-C4'-P energy: -101.673 tors. eta vs tors. theta energy: -184.212 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: 235 Temperature: 1.150000 Total energy: -2322.388530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.388530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.388530 (E_RNA) where: Base-Base interactions energy: -1632.578 where: short stacking energy: -712.744 Base-Backbone interact. energy: -1.290 local terms energy: -688.520228 where: bonds (distance) C4'-P energy: -125.537 bonds (distance) P-C4' energy: -146.210 flat angles C4'-P-C4' energy: -158.086 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -179.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2202.441875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.441875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.441875 (E_RNA) where: Base-Base interactions energy: -1541.854 where: short stacking energy: -641.957 Base-Backbone interact. energy: 3.132 local terms energy: -663.719697 where: bonds (distance) C4'-P energy: -133.006 bonds (distance) P-C4' energy: -137.884 flat angles C4'-P-C4' energy: -147.274 flat angles P-C4'-P energy: -86.339 tors. eta vs tors. theta energy: -159.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -2046.279747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.279747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.279747 (E_RNA) where: Base-Base interactions energy: -1399.403 where: short stacking energy: -588.770 Base-Backbone interact. energy: 0.999 local terms energy: -647.875576 where: bonds (distance) C4'-P energy: -139.016 bonds (distance) P-C4' energy: -146.640 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -87.998 tors. eta vs tors. theta energy: -130.109 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1686.596345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.596345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.596345 (E_RNA) where: Base-Base interactions energy: -1126.106 where: short stacking energy: -503.257 Base-Backbone interact. energy: -0.579 local terms energy: -559.911295 where: bonds (distance) C4'-P energy: -127.977 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -130.935 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -83.898 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: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1390.516128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.516128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.516128 (E_RNA) where: Base-Base interactions energy: -920.044 where: short stacking energy: -411.817 Base-Backbone interact. energy: 0.564 local terms energy: -471.036504 where: bonds (distance) C4'-P energy: -122.221 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -117.552 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -72.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2987.658588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.658588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.658588 (E_RNA) where: Base-Base interactions energy: -2111.260 where: short stacking energy: -902.976 Base-Backbone interact. energy: -3.415 local terms energy: -872.984088 where: bonds (distance) C4'-P energy: -154.323 bonds (distance) P-C4' energy: -169.800 flat angles C4'-P-C4' energy: -178.181 flat angles P-C4'-P energy: -126.580 tors. eta vs tors. theta energy: -244.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2883.815064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.815064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.815064 (E_RNA) where: Base-Base interactions energy: -2044.613 where: short stacking energy: -845.063 Base-Backbone interact. energy: -2.157 local terms energy: -837.044770 where: bonds (distance) C4'-P energy: -151.302 bonds (distance) P-C4' energy: -155.688 flat angles C4'-P-C4' energy: -185.346 flat angles P-C4'-P energy: -111.366 tors. eta vs tors. theta energy: -233.342 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2807.244792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.244792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.244792 (E_RNA) where: Base-Base interactions energy: -1996.116 where: short stacking energy: -819.201 Base-Backbone interact. energy: -2.164 local terms energy: -808.964198 where: bonds (distance) C4'-P energy: -132.443 bonds (distance) P-C4' energy: -143.813 flat angles C4'-P-C4' energy: -180.948 flat angles P-C4'-P energy: -123.253 tors. eta vs tors. theta energy: -228.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2671.014834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.014834 (E_RNA) where: Base-Base interactions energy: -1905.969 where: short stacking energy: -794.816 Base-Backbone interact. energy: -1.274 local terms energy: -763.772192 where: bonds (distance) C4'-P energy: -155.920 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -174.988 flat angles P-C4'-P energy: -97.635 tors. eta vs tors. theta energy: -200.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2521.322929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.322929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.322929 (E_RNA) where: Base-Base interactions energy: -1782.287 where: short stacking energy: -759.200 Base-Backbone interact. energy: -4.157 local terms energy: -734.879752 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -128.390 flat angles C4'-P-C4' energy: -158.106 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -213.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2342.324931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.324931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.324931 (E_RNA) where: Base-Base interactions energy: -1650.371 where: short stacking energy: -753.016 Base-Backbone interact. energy: -2.806 local terms energy: -689.148251 where: bonds (distance) C4'-P energy: -127.455 bonds (distance) P-C4' energy: -143.092 flat angles C4'-P-C4' energy: -153.211 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -189.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2126.969931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.969931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.969931 (E_RNA) where: Base-Base interactions energy: -1494.847 where: short stacking energy: -640.288 Base-Backbone interact. energy: -5.089 local terms energy: -627.033861 where: bonds (distance) C4'-P energy: -104.852 bonds (distance) P-C4' energy: -152.616 flat angles C4'-P-C4' energy: -151.533 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -143.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -2049.506490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.506490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.506490 (E_RNA) where: Base-Base interactions energy: -1436.813 where: short stacking energy: -607.367 Base-Backbone interact. energy: -1.857 local terms energy: -610.836451 where: bonds (distance) C4'-P energy: -122.011 bonds (distance) P-C4' energy: -141.169 flat angles C4'-P-C4' energy: -154.364 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: -120.598 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: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1626.174652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.174652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.174652 (E_RNA) where: Base-Base interactions energy: -1066.051 where: short stacking energy: -450.543 Base-Backbone interact. energy: 6.423 local terms energy: -566.547228 where: bonds (distance) C4'-P energy: -133.030 bonds (distance) P-C4' energy: -154.449 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -60.884 tors. eta vs tors. theta energy: -84.522 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: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1430.842807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.842807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.842807 (E_RNA) where: Base-Base interactions energy: -932.782 where: short stacking energy: -426.704 Base-Backbone interact. energy: -0.448 local terms energy: -497.613669 where: bonds (distance) C4'-P energy: -104.811 bonds (distance) P-C4' energy: -143.689 flat angles C4'-P-C4' energy: -117.367 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -62.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3000.992119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.992119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.992119 (E_RNA) where: Base-Base interactions energy: -2132.054 where: short stacking energy: -899.164 Base-Backbone interact. energy: -0.867 local terms energy: -868.071164 where: bonds (distance) C4'-P energy: -158.749 bonds (distance) P-C4' energy: -161.742 flat angles C4'-P-C4' energy: -186.847 flat angles P-C4'-P energy: -121.068 tors. eta vs tors. theta energy: -239.665 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: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2893.868914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.868914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.868914 (E_RNA) where: Base-Base interactions energy: -2040.243 where: short stacking energy: -874.389 Base-Backbone interact. energy: -0.924 local terms energy: -852.702031 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -161.253 flat angles C4'-P-C4' energy: -175.118 flat angles P-C4'-P energy: -116.381 tors. eta vs tors. theta energy: -234.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2771.833817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.833817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.833817 (E_RNA) where: Base-Base interactions energy: -1959.153 where: short stacking energy: -828.361 Base-Backbone interact. energy: -3.337 local terms energy: -809.343473 where: bonds (distance) C4'-P energy: -135.123 bonds (distance) P-C4' energy: -156.894 flat angles C4'-P-C4' energy: -172.483 flat angles P-C4'-P energy: -111.305 tors. eta vs tors. theta energy: -233.539 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: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2647.482794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.482794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.482794 (E_RNA) where: Base-Base interactions energy: -1867.577 where: short stacking energy: -748.165 Base-Backbone interact. energy: -0.712 local terms energy: -779.193397 where: bonds (distance) C4'-P energy: -151.015 bonds (distance) P-C4' energy: -153.248 flat angles C4'-P-C4' energy: -183.532 flat angles P-C4'-P energy: -104.552 tors. eta vs tors. theta energy: -186.846 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: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2488.818476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.818476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.818476 (E_RNA) where: Base-Base interactions energy: -1726.626 where: short stacking energy: -742.977 Base-Backbone interact. energy: -6.391 local terms energy: -755.801329 where: bonds (distance) C4'-P energy: -131.184 bonds (distance) P-C4' energy: -160.624 flat angles C4'-P-C4' energy: -172.104 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -179.575 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: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2262.924642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.924642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.924642 (E_RNA) where: Base-Base interactions energy: -1557.506 where: short stacking energy: -687.571 Base-Backbone interact. energy: -1.147 local terms energy: -704.271354 where: bonds (distance) C4'-P energy: -137.556 bonds (distance) P-C4' energy: -149.697 flat angles C4'-P-C4' energy: -160.694 flat angles P-C4'-P energy: -76.293 tors. eta vs tors. theta energy: -180.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2134.155266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.155266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.155266 (E_RNA) where: Base-Base interactions energy: -1500.932 where: short stacking energy: -594.254 Base-Backbone interact. energy: -4.267 local terms energy: -628.956127 where: bonds (distance) C4'-P energy: -122.775 bonds (distance) P-C4' energy: -143.393 flat angles C4'-P-C4' energy: -147.434 flat angles P-C4'-P energy: -86.658 tors. eta vs tors. theta energy: -128.696 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: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -2088.226731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.226731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.226731 (E_RNA) where: Base-Base interactions energy: -1458.114 where: short stacking energy: -649.042 Base-Backbone interact. energy: -0.888 local terms energy: -629.224188 where: bonds (distance) C4'-P energy: -113.079 bonds (distance) P-C4' energy: -119.398 flat angles C4'-P-C4' energy: -145.317 flat angles P-C4'-P energy: -97.676 tors. eta vs tors. theta energy: -153.754 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: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1740.114264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.114264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.114264 (E_RNA) where: Base-Base interactions energy: -1144.839 where: short stacking energy: -519.574 Base-Backbone interact. energy: 2.272 local terms energy: -597.546925 where: bonds (distance) C4'-P energy: -116.276 bonds (distance) P-C4' energy: -136.151 flat angles C4'-P-C4' energy: -132.612 flat angles P-C4'-P energy: -99.047 tors. eta vs tors. theta energy: -113.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1443.659054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.659054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.659054 (E_RNA) where: Base-Base interactions energy: -931.609 where: short stacking energy: -422.893 Base-Backbone interact. energy: -1.021 local terms energy: -511.029690 where: bonds (distance) C4'-P energy: -147.665 bonds (distance) P-C4' energy: -112.045 flat angles C4'-P-C4' energy: -113.027 flat angles P-C4'-P energy: -84.938 tors. eta vs tors. theta energy: -53.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2992.398846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.398846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.398846 (E_RNA) where: Base-Base interactions energy: -2110.295 where: short stacking energy: -894.860 Base-Backbone interact. energy: -4.860 local terms energy: -877.243718 where: bonds (distance) C4'-P energy: -152.719 bonds (distance) P-C4' energy: -157.666 flat angles C4'-P-C4' energy: -191.699 flat angles P-C4'-P energy: -134.519 tors. eta vs tors. theta energy: -240.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2904.929676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.929676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.929676 (E_RNA) where: Base-Base interactions energy: -2043.125 where: short stacking energy: -864.576 Base-Backbone interact. energy: -4.020 local terms energy: -857.784298 where: bonds (distance) C4'-P energy: -156.102 bonds (distance) P-C4' energy: -167.401 flat angles C4'-P-C4' energy: -177.943 flat angles P-C4'-P energy: -123.191 tors. eta vs tors. theta energy: -233.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2779.598929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.598929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.598929 (E_RNA) where: Base-Base interactions energy: -1992.428 where: short stacking energy: -819.188 Base-Backbone interact. energy: -4.397 local terms energy: -782.773483 where: bonds (distance) C4'-P energy: -137.134 bonds (distance) P-C4' energy: -141.150 flat angles C4'-P-C4' energy: -174.678 flat angles P-C4'-P energy: -115.582 tors. eta vs tors. theta energy: -214.230 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: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2680.665000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.665000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.665000 (E_RNA) where: Base-Base interactions energy: -1886.234 where: short stacking energy: -797.868 Base-Backbone interact. energy: -2.952 local terms energy: -791.479069 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -161.252 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -121.392 tors. eta vs tors. theta energy: -208.292 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: 5, replica: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2468.700131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.700131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.700131 (E_RNA) where: Base-Base interactions energy: -1732.285 where: short stacking energy: -736.807 Base-Backbone interact. energy: -0.130 local terms energy: -736.284393 where: bonds (distance) C4'-P energy: -132.408 bonds (distance) P-C4' energy: -133.612 flat angles C4'-P-C4' energy: -152.329 flat angles P-C4'-P energy: -121.567 tors. eta vs tors. theta energy: -196.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2290.990153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.990153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.990153 (E_RNA) where: Base-Base interactions energy: -1592.665 where: short stacking energy: -706.245 Base-Backbone interact. energy: 3.305 local terms energy: -701.630140 where: bonds (distance) C4'-P energy: -127.835 bonds (distance) P-C4' energy: -150.766 flat angles C4'-P-C4' energy: -148.259 flat angles P-C4'-P energy: -97.064 tors. eta vs tors. theta energy: -177.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2124.236037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.236037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.236037 (E_RNA) where: Base-Base interactions energy: -1486.413 where: short stacking energy: -649.181 Base-Backbone interact. energy: 2.317 local terms energy: -640.140802 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -164.325 flat angles P-C4'-P energy: -80.533 tors. eta vs tors. theta energy: -140.430 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: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2020.969736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.969736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.969736 (E_RNA) where: Base-Base interactions energy: -1412.625 where: short stacking energy: -581.080 Base-Backbone interact. energy: -2.561 local terms energy: -605.783531 where: bonds (distance) C4'-P energy: -139.946 bonds (distance) P-C4' energy: -127.358 flat angles C4'-P-C4' energy: -130.883 flat angles P-C4'-P energy: -69.165 tors. eta vs tors. theta energy: -138.430 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1650.380353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.380353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.380353 (E_RNA) where: Base-Base interactions energy: -1096.865 where: short stacking energy: -493.486 Base-Backbone interact. energy: -2.383 local terms energy: -551.132472 where: bonds (distance) C4'-P energy: -123.605 bonds (distance) P-C4' energy: -123.298 flat angles C4'-P-C4' energy: -125.735 flat angles P-C4'-P energy: -81.472 tors. eta vs tors. theta energy: -97.022 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: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1445.522769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.522769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.522769 (E_RNA) where: Base-Base interactions energy: -945.527 where: short stacking energy: -448.829 Base-Backbone interact. energy: 0.142 local terms energy: -500.137331 where: bonds (distance) C4'-P energy: -120.071 bonds (distance) P-C4' energy: -139.048 flat angles C4'-P-C4' energy: -102.589 flat angles P-C4'-P energy: -69.661 tors. eta vs tors. theta energy: -68.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3002.193511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.193511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.193511 (E_RNA) where: Base-Base interactions energy: -2146.095 where: short stacking energy: -904.370 Base-Backbone interact. energy: -4.138 local terms energy: -851.960698 where: bonds (distance) C4'-P energy: -153.724 bonds (distance) P-C4' energy: -151.948 flat angles C4'-P-C4' energy: -182.991 flat angles P-C4'-P energy: -120.763 tors. eta vs tors. theta energy: -242.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2917.629740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.629740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.629740 (E_RNA) where: Base-Base interactions energy: -2096.609 where: short stacking energy: -847.334 Base-Backbone interact. energy: -5.175 local terms energy: -815.846163 where: bonds (distance) C4'-P energy: -145.320 bonds (distance) P-C4' energy: -147.157 flat angles C4'-P-C4' energy: -179.100 flat angles P-C4'-P energy: -118.851 tors. eta vs tors. theta energy: -225.418 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: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2809.665449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.665449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.665449 (E_RNA) where: Base-Base interactions energy: -2007.983 where: short stacking energy: -827.293 Base-Backbone interact. energy: -1.230 local terms energy: -800.452932 where: bonds (distance) C4'-P energy: -146.699 bonds (distance) P-C4' energy: -152.603 flat angles C4'-P-C4' energy: -178.650 flat angles P-C4'-P energy: -101.948 tors. eta vs tors. theta energy: -220.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2641.331416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.331416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.331416 (E_RNA) where: Base-Base interactions energy: -1834.650 where: short stacking energy: -768.765 Base-Backbone interact. energy: -6.055 local terms energy: -800.626691 where: bonds (distance) C4'-P energy: -143.312 bonds (distance) P-C4' energy: -153.374 flat angles C4'-P-C4' energy: -171.455 flat angles P-C4'-P energy: -116.014 tors. eta vs tors. theta energy: -216.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2494.425750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.425750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.425750 (E_RNA) where: Base-Base interactions energy: -1760.061 where: short stacking energy: -716.572 Base-Backbone interact. energy: -2.918 local terms energy: -731.447107 where: bonds (distance) C4'-P energy: -115.832 bonds (distance) P-C4' energy: -152.587 flat angles C4'-P-C4' energy: -172.434 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -189.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2372.389238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.389238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.389238 (E_RNA) where: Base-Base interactions energy: -1597.300 where: short stacking energy: -702.515 Base-Backbone interact. energy: -0.665 local terms energy: -774.424227 where: bonds (distance) C4'-P energy: -155.951 bonds (distance) P-C4' energy: -152.286 flat angles C4'-P-C4' energy: -175.734 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -194.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2124.951126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.951126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.951126 (E_RNA) where: Base-Base interactions energy: -1481.659 where: short stacking energy: -609.792 Base-Backbone interact. energy: -1.051 local terms energy: -642.240687 where: bonds (distance) C4'-P energy: -129.182 bonds (distance) P-C4' energy: -124.564 flat angles C4'-P-C4' energy: -159.696 flat angles P-C4'-P energy: -96.209 tors. eta vs tors. theta energy: -132.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1984.711084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.711084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.711084 (E_RNA) where: Base-Base interactions energy: -1367.188 where: short stacking energy: -592.801 Base-Backbone interact. energy: -0.065 local terms energy: -617.458298 where: bonds (distance) C4'-P energy: -145.173 bonds (distance) P-C4' energy: -140.479 flat angles C4'-P-C4' energy: -122.004 flat angles P-C4'-P energy: -80.131 tors. eta vs tors. theta energy: -129.671 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: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1644.799624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.799624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.799624 (E_RNA) where: Base-Base interactions energy: -1053.646 where: short stacking energy: -483.063 Base-Backbone interact. energy: -0.852 local terms energy: -590.301091 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -152.246 flat angles C4'-P-C4' energy: -130.922 flat angles P-C4'-P energy: -80.088 tors. eta vs tors. theta energy: -104.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1507.607966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.607966 (E_RNA) where: Base-Base interactions energy: -1000.069 where: short stacking energy: -448.951 Base-Backbone interact. energy: -2.172 local terms energy: -505.367142 where: bonds (distance) C4'-P energy: -136.128 bonds (distance) P-C4' energy: -114.120 flat angles C4'-P-C4' energy: -128.297 flat angles P-C4'-P energy: -65.528 tors. eta vs tors. theta energy: -61.295 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: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3046.809740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.809740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.809740 (E_RNA) where: Base-Base interactions energy: -2182.074 where: short stacking energy: -893.862 Base-Backbone interact. energy: 0.124 local terms energy: -864.859052 where: bonds (distance) C4'-P energy: -167.813 bonds (distance) P-C4' energy: -151.409 flat angles C4'-P-C4' energy: -188.916 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -241.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2938.910937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.910937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.910937 (E_RNA) where: Base-Base interactions energy: -2091.000 where: short stacking energy: -893.687 Base-Backbone interact. energy: -1.414 local terms energy: -846.496890 where: bonds (distance) C4'-P energy: -151.442 bonds (distance) P-C4' energy: -156.741 flat angles C4'-P-C4' energy: -171.214 flat angles P-C4'-P energy: -123.892 tors. eta vs tors. theta energy: -243.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2768.868687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.868687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.868687 (E_RNA) where: Base-Base interactions energy: -1961.793 where: short stacking energy: -811.549 Base-Backbone interact. energy: -1.346 local terms energy: -805.730271 where: bonds (distance) C4'-P energy: -142.059 bonds (distance) P-C4' energy: -148.919 flat angles C4'-P-C4' energy: -165.454 flat angles P-C4'-P energy: -114.594 tors. eta vs tors. theta energy: -234.705 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: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2623.184063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.184063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.184063 (E_RNA) where: Base-Base interactions energy: -1838.321 where: short stacking energy: -759.042 Base-Backbone interact. energy: -2.442 local terms energy: -782.421651 where: bonds (distance) C4'-P energy: -140.231 bonds (distance) P-C4' energy: -146.853 flat angles C4'-P-C4' energy: -176.379 flat angles P-C4'-P energy: -123.077 tors. eta vs tors. theta energy: -195.881 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: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2463.639718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.639718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.639718 (E_RNA) where: Base-Base interactions energy: -1740.655 where: short stacking energy: -726.432 Base-Backbone interact. energy: -1.722 local terms energy: -721.262594 where: bonds (distance) C4'-P energy: -141.061 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -151.046 flat angles P-C4'-P energy: -106.919 tors. eta vs tors. theta energy: -163.047 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: 240 Temperature: 1.150000 Total energy: -2339.285526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.285526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.285526 (E_RNA) where: Base-Base interactions energy: -1631.946 where: short stacking energy: -698.429 Base-Backbone interact. energy: -2.029 local terms energy: -705.309931 where: bonds (distance) C4'-P energy: -145.538 bonds (distance) P-C4' energy: -123.941 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -99.998 tors. eta vs tors. theta energy: -193.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2133.141091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.141091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.141091 (E_RNA) where: Base-Base interactions energy: -1471.028 where: short stacking energy: -609.829 Base-Backbone interact. energy: 0.030 local terms energy: -662.142950 where: bonds (distance) C4'-P energy: -114.467 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -143.376 flat angles P-C4'-P energy: -107.737 tors. eta vs tors. theta energy: -149.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2002.305775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.305775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.305775 (E_RNA) where: Base-Base interactions energy: -1390.449 where: short stacking energy: -565.882 Base-Backbone interact. energy: -0.339 local terms energy: -611.518100 where: bonds (distance) C4'-P energy: -113.779 bonds (distance) P-C4' energy: -130.075 flat angles C4'-P-C4' energy: -140.984 flat angles P-C4'-P energy: -96.832 tors. eta vs tors. theta energy: -129.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1606.998737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.998737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.998737 (E_RNA) where: Base-Base interactions energy: -1074.576 where: short stacking energy: -501.879 Base-Backbone interact. energy: -1.020 local terms energy: -531.403295 where: bonds (distance) C4'-P energy: -128.980 bonds (distance) P-C4' energy: -129.486 flat angles C4'-P-C4' energy: -121.140 flat angles P-C4'-P energy: -66.228 tors. eta vs tors. theta energy: -85.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1567.217226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.217226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.217226 (E_RNA) where: Base-Base interactions energy: -1034.895 where: short stacking energy: -447.057 Base-Backbone interact. energy: 0.157 local terms energy: -532.479266 where: bonds (distance) C4'-P energy: -136.710 bonds (distance) P-C4' energy: -117.885 flat angles C4'-P-C4' energy: -108.310 flat angles P-C4'-P energy: -86.134 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: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3003.795516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.795516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.795516 (E_RNA) where: Base-Base interactions energy: -2137.506 where: short stacking energy: -898.130 Base-Backbone interact. energy: 0.213 local terms energy: -866.502100 where: bonds (distance) C4'-P energy: -150.838 bonds (distance) P-C4' energy: -157.721 flat angles C4'-P-C4' energy: -187.477 flat angles P-C4'-P energy: -131.206 tors. eta vs tors. theta energy: -239.260 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2930.069557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.069557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.069557 (E_RNA) where: Base-Base interactions energy: -2093.635 where: short stacking energy: -872.775 Base-Backbone interact. energy: -4.229 local terms energy: -832.205378 where: bonds (distance) C4'-P energy: -140.045 bonds (distance) P-C4' energy: -158.657 flat angles C4'-P-C4' energy: -173.777 flat angles P-C4'-P energy: -121.872 tors. eta vs tors. theta energy: -237.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2773.105631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.105631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.105631 (E_RNA) where: Base-Base interactions energy: -1953.240 where: short stacking energy: -841.735 Base-Backbone interact. energy: -5.123 local terms energy: -814.741803 where: bonds (distance) C4'-P energy: -140.416 bonds (distance) P-C4' energy: -154.135 flat angles C4'-P-C4' energy: -169.893 flat angles P-C4'-P energy: -125.625 tors. eta vs tors. theta energy: -224.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2667.557794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.557794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.557794 (E_RNA) where: Base-Base interactions energy: -1881.943 where: short stacking energy: -824.416 Base-Backbone interact. energy: -4.306 local terms energy: -781.308529 where: bonds (distance) C4'-P energy: -140.093 bonds (distance) P-C4' energy: -134.501 flat angles C4'-P-C4' energy: -180.740 flat angles P-C4'-P energy: -105.777 tors. eta vs tors. theta energy: -220.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2439.043875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.043875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.043875 (E_RNA) where: Base-Base interactions energy: -1719.079 where: short stacking energy: -700.821 Base-Backbone interact. energy: -2.249 local terms energy: -717.716259 where: bonds (distance) C4'-P energy: -130.125 bonds (distance) P-C4' energy: -141.789 flat angles C4'-P-C4' energy: -162.908 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -177.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2326.623649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.623649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.623649 (E_RNA) where: Base-Base interactions energy: -1616.551 where: short stacking energy: -717.737 Base-Backbone interact. energy: 2.529 local terms energy: -712.601341 where: bonds (distance) C4'-P energy: -139.001 bonds (distance) P-C4' energy: -141.666 flat angles C4'-P-C4' energy: -155.542 flat angles P-C4'-P energy: -92.773 tors. eta vs tors. theta energy: -183.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2171.022359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.022359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.022359 (E_RNA) where: Base-Base interactions energy: -1526.734 where: short stacking energy: -622.705 Base-Backbone interact. energy: 1.922 local terms energy: -646.210821 where: bonds (distance) C4'-P energy: -134.681 bonds (distance) P-C4' energy: -133.284 flat angles C4'-P-C4' energy: -140.347 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -154.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -2000.306069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.306069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.306069 (E_RNA) where: Base-Base interactions energy: -1366.413 where: short stacking energy: -560.611 Base-Backbone interact. energy: -5.558 local terms energy: -628.335148 where: bonds (distance) C4'-P energy: -130.314 bonds (distance) P-C4' energy: -134.898 flat angles C4'-P-C4' energy: -142.952 flat angles P-C4'-P energy: -97.872 tors. eta vs tors. theta energy: -122.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1590.629613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.629613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.629613 (E_RNA) where: Base-Base interactions energy: -1035.205 where: short stacking energy: -470.498 Base-Backbone interact. energy: -1.552 local terms energy: -553.872617 where: bonds (distance) C4'-P energy: -133.083 bonds (distance) P-C4' energy: -128.037 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -77.672 tors. eta vs tors. theta energy: -80.344 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: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1534.637045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.637045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.637045 (E_RNA) where: Base-Base interactions energy: -989.815 where: short stacking energy: -462.621 Base-Backbone interact. energy: 2.020 local terms energy: -546.841999 where: bonds (distance) C4'-P energy: -129.143 bonds (distance) P-C4' energy: -128.807 flat angles C4'-P-C4' energy: -141.046 flat angles P-C4'-P energy: -63.333 tors. eta vs tors. theta energy: -84.513 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: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3016.154418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.154418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.154418 (E_RNA) where: Base-Base interactions energy: -2126.397 where: short stacking energy: -889.179 Base-Backbone interact. energy: -5.051 local terms energy: -884.705763 where: bonds (distance) C4'-P energy: -166.108 bonds (distance) P-C4' energy: -157.162 flat angles C4'-P-C4' energy: -195.522 flat angles P-C4'-P energy: -119.089 tors. eta vs tors. theta energy: -246.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2948.781587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.781587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.781587 (E_RNA) where: Base-Base interactions energy: -2126.842 where: short stacking energy: -887.006 Base-Backbone interact. energy: -4.832 local terms energy: -817.106831 where: bonds (distance) C4'-P energy: -136.112 bonds (distance) P-C4' energy: -160.071 flat angles C4'-P-C4' energy: -177.183 flat angles P-C4'-P energy: -109.733 tors. eta vs tors. theta energy: -234.008 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: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2752.443913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.443913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.443913 (E_RNA) where: Base-Base interactions energy: -1950.919 where: short stacking energy: -819.676 Base-Backbone interact. energy: -3.001 local terms energy: -798.523875 where: bonds (distance) C4'-P energy: -149.213 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -168.927 flat angles P-C4'-P energy: -123.495 tors. eta vs tors. theta energy: -214.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2673.836592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.836592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.836592 (E_RNA) where: Base-Base interactions energy: -1884.565 where: short stacking energy: -813.745 Base-Backbone interact. energy: -2.717 local terms energy: -786.554351 where: bonds (distance) C4'-P energy: -134.324 bonds (distance) P-C4' energy: -151.872 flat angles C4'-P-C4' energy: -166.117 flat angles P-C4'-P energy: -103.867 tors. eta vs tors. theta energy: -230.374 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: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2488.190939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.190939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.190939 (E_RNA) where: Base-Base interactions energy: -1772.841 where: short stacking energy: -741.529 Base-Backbone interact. energy: -1.196 local terms energy: -714.154252 where: bonds (distance) C4'-P energy: -141.622 bonds (distance) P-C4' energy: -142.428 flat angles C4'-P-C4' energy: -158.037 flat angles P-C4'-P energy: -87.152 tors. eta vs tors. theta energy: -184.916 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: 242 Temperature: 1.150000 Total energy: -2324.505505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.505505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.505505 (E_RNA) where: Base-Base interactions energy: -1616.386 where: short stacking energy: -733.355 Base-Backbone interact. energy: -2.804 local terms energy: -705.315631 where: bonds (distance) C4'-P energy: -123.516 bonds (distance) P-C4' energy: -145.357 flat angles C4'-P-C4' energy: -159.026 flat angles P-C4'-P energy: -84.383 tors. eta vs tors. theta energy: -193.033 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: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2196.779569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.779569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.779569 (E_RNA) where: Base-Base interactions energy: -1534.026 where: short stacking energy: -620.100 Base-Backbone interact. energy: -3.099 local terms energy: -659.654831 where: bonds (distance) C4'-P energy: -122.971 bonds (distance) P-C4' energy: -147.827 flat angles C4'-P-C4' energy: -145.710 flat angles P-C4'-P energy: -108.307 tors. eta vs tors. theta energy: -134.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1980.858672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.858672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.858672 (E_RNA) where: Base-Base interactions energy: -1342.188 where: short stacking energy: -559.941 Base-Backbone interact. energy: 1.586 local terms energy: -640.256008 where: bonds (distance) C4'-P energy: -129.790 bonds (distance) P-C4' energy: -156.899 flat angles C4'-P-C4' energy: -147.624 flat angles P-C4'-P energy: -86.528 tors. eta vs tors. theta energy: -119.415 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: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1631.882812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.882812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.882812 (E_RNA) where: Base-Base interactions energy: -1087.289 where: short stacking energy: -464.834 Base-Backbone interact. energy: 4.325 local terms energy: -548.918437 where: bonds (distance) C4'-P energy: -129.467 bonds (distance) P-C4' energy: -131.936 flat angles C4'-P-C4' energy: -121.806 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -81.009 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: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1569.446263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.446263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.446263 (E_RNA) where: Base-Base interactions energy: -1031.875 where: short stacking energy: -453.725 Base-Backbone interact. energy: 5.983 local terms energy: -543.554366 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -148.271 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -86.766 tors. eta vs tors. theta energy: -69.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3028.083283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.083283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.083283 (E_RNA) where: Base-Base interactions energy: -2149.490 where: short stacking energy: -915.105 Base-Backbone interact. energy: -3.846 local terms energy: -874.747002 where: bonds (distance) C4'-P energy: -159.575 bonds (distance) P-C4' energy: -163.272 flat angles C4'-P-C4' energy: -173.117 flat angles P-C4'-P energy: -131.826 tors. eta vs tors. theta energy: -246.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2947.831478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.831478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.831478 (E_RNA) where: Base-Base interactions energy: -2093.206 where: short stacking energy: -866.977 Base-Backbone interact. energy: -3.076 local terms energy: -851.549697 where: bonds (distance) C4'-P energy: -164.954 bonds (distance) P-C4' energy: -156.982 flat angles C4'-P-C4' energy: -170.170 flat angles P-C4'-P energy: -126.690 tors. eta vs tors. theta energy: -232.754 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: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2788.841187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.841187 (E_RNA) where: Base-Base interactions energy: -1968.908 where: short stacking energy: -823.302 Base-Backbone interact. energy: -0.251 local terms energy: -819.682816 where: bonds (distance) C4'-P energy: -152.170 bonds (distance) P-C4' energy: -170.781 flat angles C4'-P-C4' energy: -166.670 flat angles P-C4'-P energy: -118.854 tors. eta vs tors. theta energy: -211.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2657.092390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.092390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.092390 (E_RNA) where: Base-Base interactions energy: -1873.169 where: short stacking energy: -810.429 Base-Backbone interact. energy: -1.780 local terms energy: -782.143570 where: bonds (distance) C4'-P energy: -149.384 bonds (distance) P-C4' energy: -140.151 flat angles C4'-P-C4' energy: -162.971 flat angles P-C4'-P energy: -108.021 tors. eta vs tors. theta energy: -221.616 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: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2492.620389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.620389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.620389 (E_RNA) where: Base-Base interactions energy: -1768.137 where: short stacking energy: -736.409 Base-Backbone interact. energy: -1.739 local terms energy: -722.744101 where: bonds (distance) C4'-P energy: -137.898 bonds (distance) P-C4' energy: -122.757 flat angles C4'-P-C4' energy: -172.069 flat angles P-C4'-P energy: -111.109 tors. eta vs tors. theta energy: -178.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2283.978076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.978076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.978076 (E_RNA) where: Base-Base interactions energy: -1575.453 where: short stacking energy: -658.132 Base-Backbone interact. energy: -1.341 local terms energy: -707.183663 where: bonds (distance) C4'-P energy: -121.895 bonds (distance) P-C4' energy: -169.580 flat angles C4'-P-C4' energy: -162.387 flat angles P-C4'-P energy: -96.501 tors. eta vs tors. theta energy: -156.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2257.483836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.483836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.483836 (E_RNA) where: Base-Base interactions energy: -1546.370 where: short stacking energy: -668.131 Base-Backbone interact. energy: 0.090 local terms energy: -711.204070 where: bonds (distance) C4'-P energy: -121.584 bonds (distance) P-C4' energy: -155.845 flat angles C4'-P-C4' energy: -157.469 flat angles P-C4'-P energy: -104.793 tors. eta vs tors. theta energy: -171.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1973.259477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.259477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.259477 (E_RNA) where: Base-Base interactions energy: -1352.682 where: short stacking energy: -566.313 Base-Backbone interact. energy: -2.018 local terms energy: -618.559533 where: bonds (distance) C4'-P energy: -133.367 bonds (distance) P-C4' energy: -118.516 flat angles C4'-P-C4' energy: -143.623 flat angles P-C4'-P energy: -92.547 tors. eta vs tors. theta energy: -130.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1647.825037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.825037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.825037 (E_RNA) where: Base-Base interactions energy: -1080.937 where: short stacking energy: -488.608 Base-Backbone interact. energy: -1.785 local terms energy: -565.102947 where: bonds (distance) C4'-P energy: -123.105 bonds (distance) P-C4' energy: -130.993 flat angles C4'-P-C4' energy: -147.844 flat angles P-C4'-P energy: -85.898 tors. eta vs tors. theta energy: -77.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1590.970707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.970707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.970707 (E_RNA) where: Base-Base interactions energy: -1068.219 where: short stacking energy: -434.880 Base-Backbone interact. energy: 3.623 local terms energy: -526.374737 where: bonds (distance) C4'-P energy: -87.381 bonds (distance) P-C4' energy: -136.909 flat angles C4'-P-C4' energy: -135.318 flat angles P-C4'-P energy: -88.044 tors. eta vs tors. theta energy: -78.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3035.191339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.191339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.191339 (E_RNA) where: Base-Base interactions energy: -2159.927 where: short stacking energy: -916.847 Base-Backbone interact. energy: -3.173 local terms energy: -872.090833 where: bonds (distance) C4'-P energy: -157.159 bonds (distance) P-C4' energy: -170.014 flat angles C4'-P-C4' energy: -193.515 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -242.611 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: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2914.932677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.932677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.932677 (E_RNA) where: Base-Base interactions energy: -2041.242 where: short stacking energy: -880.825 Base-Backbone interact. energy: -5.121 local terms energy: -868.569311 where: bonds (distance) C4'-P energy: -158.497 bonds (distance) P-C4' energy: -154.855 flat angles C4'-P-C4' energy: -180.628 flat angles P-C4'-P energy: -136.774 tors. eta vs tors. theta energy: -237.815 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2771.080214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.080214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.080214 (E_RNA) where: Base-Base interactions energy: -1970.949 where: short stacking energy: -804.057 Base-Backbone interact. energy: -1.922 local terms energy: -798.209362 where: bonds (distance) C4'-P energy: -144.279 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -174.355 flat angles P-C4'-P energy: -125.604 tors. eta vs tors. theta energy: -210.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2687.278249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.278249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.278249 (E_RNA) where: Base-Base interactions energy: -1884.042 where: short stacking energy: -810.792 Base-Backbone interact. energy: -0.828 local terms energy: -802.408370 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -153.044 flat angles C4'-P-C4' energy: -176.247 flat angles P-C4'-P energy: -123.164 tors. eta vs tors. theta energy: -208.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2506.612280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.612280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.612280 (E_RNA) where: Base-Base interactions energy: -1777.784 where: short stacking energy: -729.472 Base-Backbone interact. energy: -2.757 local terms energy: -726.071548 where: bonds (distance) C4'-P energy: -138.702 bonds (distance) P-C4' energy: -149.946 flat angles C4'-P-C4' energy: -159.191 flat angles P-C4'-P energy: -105.889 tors. eta vs tors. theta energy: -172.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2291.617235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.617235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.617235 (E_RNA) where: Base-Base interactions energy: -1595.163 where: short stacking energy: -642.004 Base-Backbone interact. energy: -2.371 local terms energy: -694.083513 where: bonds (distance) C4'-P energy: -158.650 bonds (distance) P-C4' energy: -147.296 flat angles C4'-P-C4' energy: -151.497 flat angles P-C4'-P energy: -86.720 tors. eta vs tors. theta energy: -149.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2277.176437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.176437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.176437 (E_RNA) where: Base-Base interactions energy: -1604.670 where: short stacking energy: -676.278 Base-Backbone interact. energy: -0.180 local terms energy: -672.325788 where: bonds (distance) C4'-P energy: -122.176 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -146.762 flat angles P-C4'-P energy: -118.318 tors. eta vs tors. theta energy: -167.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2081.227485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.227485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.227485 (E_RNA) where: Base-Base interactions energy: -1443.866 where: short stacking energy: -605.058 Base-Backbone interact. energy: -0.546 local terms energy: -636.815488 where: bonds (distance) C4'-P energy: -114.162 bonds (distance) P-C4' energy: -139.145 flat angles C4'-P-C4' energy: -143.793 flat angles P-C4'-P energy: -90.626 tors. eta vs tors. theta energy: -149.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1617.069425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.069425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.069425 (E_RNA) where: Base-Base interactions energy: -1039.955 where: short stacking energy: -486.979 Base-Backbone interact. energy: -2.910 local terms energy: -574.204058 where: bonds (distance) C4'-P energy: -126.404 bonds (distance) P-C4' energy: -118.540 flat angles C4'-P-C4' energy: -145.212 flat angles P-C4'-P energy: -84.866 tors. eta vs tors. theta energy: -99.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1611.473533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.473533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.473533 (E_RNA) where: Base-Base interactions energy: -1100.757 where: short stacking energy: -468.865 Base-Backbone interact. energy: -1.472 local terms energy: -509.244750 where: bonds (distance) C4'-P energy: -103.780 bonds (distance) P-C4' energy: -120.133 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -80.037 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2978.154235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.154235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.154235 (E_RNA) where: Base-Base interactions energy: -2121.704 where: short stacking energy: -869.189 Base-Backbone interact. energy: -5.607 local terms energy: -850.843139 where: bonds (distance) C4'-P energy: -161.872 bonds (distance) P-C4' energy: -156.275 flat angles C4'-P-C4' energy: -173.976 flat angles P-C4'-P energy: -128.987 tors. eta vs tors. theta energy: -229.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2913.112575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.112575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.112575 (E_RNA) where: Base-Base interactions energy: -2076.656 where: short stacking energy: -886.285 Base-Backbone interact. energy: -1.494 local terms energy: -834.963030 where: bonds (distance) C4'-P energy: -157.244 bonds (distance) P-C4' energy: -163.013 flat angles C4'-P-C4' energy: -177.220 flat angles P-C4'-P energy: -108.119 tors. eta vs tors. theta energy: -229.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2761.182168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.182168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.182168 (E_RNA) where: Base-Base interactions energy: -1962.583 where: short stacking energy: -814.905 Base-Backbone interact. energy: -4.781 local terms energy: -793.818293 where: bonds (distance) C4'-P energy: -160.838 bonds (distance) P-C4' energy: -139.373 flat angles C4'-P-C4' energy: -174.613 flat angles P-C4'-P energy: -114.217 tors. eta vs tors. theta energy: -204.777 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: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2615.192586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.192586 (E_RNA) where: Base-Base interactions energy: -1851.945 where: short stacking energy: -740.490 Base-Backbone interact. energy: -4.174 local terms energy: -759.073228 where: bonds (distance) C4'-P energy: -116.274 bonds (distance) P-C4' energy: -160.886 flat angles C4'-P-C4' energy: -175.416 flat angles P-C4'-P energy: -117.476 tors. eta vs tors. theta energy: -189.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2509.873464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.873464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.873464 (E_RNA) where: Base-Base interactions energy: -1759.021 where: short stacking energy: -714.947 Base-Backbone interact. energy: -2.046 local terms energy: -748.806503 where: bonds (distance) C4'-P energy: -138.184 bonds (distance) P-C4' energy: -150.443 flat angles C4'-P-C4' energy: -169.952 flat angles P-C4'-P energy: -107.202 tors. eta vs tors. theta energy: -183.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2422.851580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.851580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.851580 (E_RNA) where: Base-Base interactions energy: -1675.603 where: short stacking energy: -755.483 Base-Backbone interact. energy: -0.643 local terms energy: -746.605783 where: bonds (distance) C4'-P energy: -129.767 bonds (distance) P-C4' energy: -138.806 flat angles C4'-P-C4' energy: -155.232 flat angles P-C4'-P energy: -124.663 tors. eta vs tors. theta energy: -198.137 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: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2244.882716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.882716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.882716 (E_RNA) where: Base-Base interactions energy: -1606.275 where: short stacking energy: -631.037 Base-Backbone interact. energy: -4.697 local terms energy: -633.911252 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -140.724 flat angles P-C4'-P energy: -85.111 tors. eta vs tors. theta energy: -155.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2045.830191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.830191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.830191 (E_RNA) where: Base-Base interactions energy: -1434.493 where: short stacking energy: -620.359 Base-Backbone interact. energy: -0.628 local terms energy: -610.708892 where: bonds (distance) C4'-P energy: -125.876 bonds (distance) P-C4' energy: -105.191 flat angles C4'-P-C4' energy: -134.802 flat angles P-C4'-P energy: -95.672 tors. eta vs tors. theta energy: -149.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1697.964717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.964717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.964717 (E_RNA) where: Base-Base interactions energy: -1106.886 where: short stacking energy: -480.989 Base-Backbone interact. energy: -2.492 local terms energy: -588.586570 where: bonds (distance) C4'-P energy: -125.267 bonds (distance) P-C4' energy: -139.372 flat angles C4'-P-C4' energy: -145.126 flat angles P-C4'-P energy: -71.979 tors. eta vs tors. theta energy: -106.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1595.772549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.772549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.772549 (E_RNA) where: Base-Base interactions energy: -1082.860 where: short stacking energy: -476.156 Base-Backbone interact. energy: -0.449 local terms energy: -512.464195 where: bonds (distance) C4'-P energy: -118.321 bonds (distance) P-C4' energy: -119.336 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -81.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2984.389729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.389729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.389729 (E_RNA) where: Base-Base interactions energy: -2115.856 where: short stacking energy: -882.539 Base-Backbone interact. energy: -2.356 local terms energy: -866.177645 where: bonds (distance) C4'-P energy: -182.482 bonds (distance) P-C4' energy: -155.510 flat angles C4'-P-C4' energy: -179.300 flat angles P-C4'-P energy: -121.727 tors. eta vs tors. theta energy: -227.159 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: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2899.981361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.981361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.981361 (E_RNA) where: Base-Base interactions energy: -2065.614 where: short stacking energy: -870.459 Base-Backbone interact. energy: -1.548 local terms energy: -832.819632 where: bonds (distance) C4'-P energy: -146.474 bonds (distance) P-C4' energy: -163.324 flat angles C4'-P-C4' energy: -175.537 flat angles P-C4'-P energy: -118.123 tors. eta vs tors. theta energy: -229.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2758.445782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.445782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.445782 (E_RNA) where: Base-Base interactions energy: -1968.999 where: short stacking energy: -815.753 Base-Backbone interact. energy: -2.047 local terms energy: -787.399827 where: bonds (distance) C4'-P energy: -150.906 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -167.307 flat angles P-C4'-P energy: -114.943 tors. eta vs tors. theta energy: -218.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2615.456252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.456252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.456252 (E_RNA) where: Base-Base interactions energy: -1857.677 where: short stacking energy: -773.129 Base-Backbone interact. energy: 3.393 local terms energy: -761.172385 where: bonds (distance) C4'-P energy: -120.823 bonds (distance) P-C4' energy: -158.083 flat angles C4'-P-C4' energy: -165.610 flat angles P-C4'-P energy: -115.578 tors. eta vs tors. theta energy: -201.077 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: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2460.918050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.918050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.918050 (E_RNA) where: Base-Base interactions energy: -1737.302 where: short stacking energy: -731.079 Base-Backbone interact. energy: -6.587 local terms energy: -717.029264 where: bonds (distance) C4'-P energy: -127.704 bonds (distance) P-C4' energy: -135.780 flat angles C4'-P-C4' energy: -172.649 flat angles P-C4'-P energy: -105.324 tors. eta vs tors. theta energy: -175.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2382.678111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.678111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.678111 (E_RNA) where: Base-Base interactions energy: -1667.259 where: short stacking energy: -717.727 Base-Backbone interact. energy: -0.481 local terms energy: -714.938262 where: bonds (distance) C4'-P energy: -144.558 bonds (distance) P-C4' energy: -134.467 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -105.022 tors. eta vs tors. theta energy: -183.929 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: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2325.069766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.069766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.069766 (E_RNA) where: Base-Base interactions energy: -1642.169 where: short stacking energy: -672.752 Base-Backbone interact. energy: 1.494 local terms energy: -684.394068 where: bonds (distance) C4'-P energy: -126.396 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -160.868 flat angles P-C4'-P energy: -94.052 tors. eta vs tors. theta energy: -168.291 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: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2011.423623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.423623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.423623 (E_RNA) where: Base-Base interactions energy: -1409.838 where: short stacking energy: -621.622 Base-Backbone interact. energy: 3.377 local terms energy: -604.963487 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -148.923 flat angles C4'-P-C4' energy: -142.781 flat angles P-C4'-P energy: -78.519 tors. eta vs tors. theta energy: -124.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1780.013864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.013864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.013864 (E_RNA) where: Base-Base interactions energy: -1199.799 where: short stacking energy: -511.960 Base-Backbone interact. energy: -2.058 local terms energy: -578.157544 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -143.458 flat angles C4'-P-C4' energy: -129.547 flat angles P-C4'-P energy: -96.853 tors. eta vs tors. theta energy: -89.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1627.872365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.872365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.872365 (E_RNA) where: Base-Base interactions energy: -1093.174 where: short stacking energy: -457.917 Base-Backbone interact. energy: -0.020 local terms energy: -534.677788 where: bonds (distance) C4'-P energy: -121.374 bonds (distance) P-C4' energy: -122.976 flat angles C4'-P-C4' energy: -129.128 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -80.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2980.892820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.892820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.892820 (E_RNA) where: Base-Base interactions energy: -2119.467 where: short stacking energy: -904.987 Base-Backbone interact. energy: -1.296 local terms energy: -860.129697 where: bonds (distance) C4'-P energy: -169.804 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -176.813 flat angles P-C4'-P energy: -117.681 tors. eta vs tors. theta energy: -240.518 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: 2, replica: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2896.694137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.694137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.694137 (E_RNA) where: Base-Base interactions energy: -2070.021 where: short stacking energy: -884.332 Base-Backbone interact. energy: -3.647 local terms energy: -823.026846 where: bonds (distance) C4'-P energy: -150.866 bonds (distance) P-C4' energy: -154.313 flat angles C4'-P-C4' energy: -172.871 flat angles P-C4'-P energy: -120.882 tors. eta vs tors. theta energy: -224.096 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: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2780.198709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.198709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.198709 (E_RNA) where: Base-Base interactions energy: -1964.068 where: short stacking energy: -808.534 Base-Backbone interact. energy: -3.078 local terms energy: -813.052079 where: bonds (distance) C4'-P energy: -141.247 bonds (distance) P-C4' energy: -154.449 flat angles C4'-P-C4' energy: -184.699 flat angles P-C4'-P energy: -128.219 tors. eta vs tors. theta energy: -204.438 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: 247 Temperature: 1.050000 Total energy: -2619.212474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.212474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.212474 (E_RNA) where: Base-Base interactions energy: -1840.971 where: short stacking energy: -778.218 Base-Backbone interact. energy: -4.566 local terms energy: -773.675448 where: bonds (distance) C4'-P energy: -138.881 bonds (distance) P-C4' energy: -152.094 flat angles C4'-P-C4' energy: -175.600 flat angles P-C4'-P energy: -106.427 tors. eta vs tors. theta energy: -200.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2495.717953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.717953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.717953 (E_RNA) where: Base-Base interactions energy: -1761.746 where: short stacking energy: -762.065 Base-Backbone interact. energy: -4.401 local terms energy: -729.571715 where: bonds (distance) C4'-P energy: -117.797 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -168.655 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -198.849 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: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2386.928906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.928906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.928906 (E_RNA) where: Base-Base interactions energy: -1669.585 where: short stacking energy: -716.815 Base-Backbone interact. energy: -0.320 local terms energy: -717.023918 where: bonds (distance) C4'-P energy: -117.206 bonds (distance) P-C4' energy: -139.920 flat angles C4'-P-C4' energy: -176.528 flat angles P-C4'-P energy: -88.955 tors. eta vs tors. theta energy: -194.415 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: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2302.755507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.755507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.755507 (E_RNA) where: Base-Base interactions energy: -1601.473 where: short stacking energy: -672.867 Base-Backbone interact. energy: -2.133 local terms energy: -699.148905 where: bonds (distance) C4'-P energy: -141.106 bonds (distance) P-C4' energy: -137.605 flat angles C4'-P-C4' energy: -164.092 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -170.325 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1961.479727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.479727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.479727 (E_RNA) where: Base-Base interactions energy: -1374.332 where: short stacking energy: -576.264 Base-Backbone interact. energy: 5.648 local terms energy: -592.795514 where: bonds (distance) C4'-P energy: -111.453 bonds (distance) P-C4' energy: -135.681 flat angles C4'-P-C4' energy: -135.536 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -116.951 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: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1822.009535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.009535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.009535 (E_RNA) where: Base-Base interactions energy: -1255.053 where: short stacking energy: -538.135 Base-Backbone interact. energy: -2.541 local terms energy: -564.415525 where: bonds (distance) C4'-P energy: -122.660 bonds (distance) P-C4' energy: -135.859 flat angles C4'-P-C4' energy: -130.927 flat angles P-C4'-P energy: -79.235 tors. eta vs tors. theta energy: -95.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1645.076331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.076331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.076331 (E_RNA) where: Base-Base interactions energy: -1106.380 where: short stacking energy: -513.629 Base-Backbone interact. energy: 4.618 local terms energy: -543.314208 where: bonds (distance) C4'-P energy: -115.440 bonds (distance) P-C4' energy: -126.932 flat angles C4'-P-C4' energy: -129.812 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -86.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3011.029239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.029239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.029239 (E_RNA) where: Base-Base interactions energy: -2153.294 where: short stacking energy: -899.527 Base-Backbone interact. energy: 1.298 local terms energy: -859.033237 where: bonds (distance) C4'-P energy: -154.049 bonds (distance) P-C4' energy: -152.186 flat angles C4'-P-C4' energy: -195.802 flat angles P-C4'-P energy: -122.829 tors. eta vs tors. theta energy: -234.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2912.336012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.336012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.336012 (E_RNA) where: Base-Base interactions energy: -2057.063 where: short stacking energy: -868.210 Base-Backbone interact. energy: -2.937 local terms energy: -852.336200 where: bonds (distance) C4'-P energy: -135.776 bonds (distance) P-C4' energy: -157.571 flat angles C4'-P-C4' energy: -186.907 flat angles P-C4'-P energy: -139.914 tors. eta vs tors. theta energy: -232.167 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: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2806.907686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.907686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.907686 (E_RNA) where: Base-Base interactions energy: -1994.507 where: short stacking energy: -828.518 Base-Backbone interact. energy: -7.190 local terms energy: -805.210935 where: bonds (distance) C4'-P energy: -144.579 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -173.800 flat angles P-C4'-P energy: -125.361 tors. eta vs tors. theta energy: -221.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2667.018863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.018863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.018863 (E_RNA) where: Base-Base interactions energy: -1903.355 where: short stacking energy: -800.906 Base-Backbone interact. energy: 1.786 local terms energy: -765.449687 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -138.905 flat angles C4'-P-C4' energy: -177.130 flat angles P-C4'-P energy: -100.571 tors. eta vs tors. theta energy: -201.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2461.587464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.587464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.587464 (E_RNA) where: Base-Base interactions energy: -1738.647 where: short stacking energy: -750.761 Base-Backbone interact. energy: -0.124 local terms energy: -722.816875 where: bonds (distance) C4'-P energy: -117.149 bonds (distance) P-C4' energy: -144.533 flat angles C4'-P-C4' energy: -159.813 flat angles P-C4'-P energy: -121.057 tors. eta vs tors. theta energy: -180.264 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: 248 Temperature: 1.150000 Total energy: -2344.908699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.908699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.908699 (E_RNA) where: Base-Base interactions energy: -1635.348 where: short stacking energy: -709.210 Base-Backbone interact. energy: 0.177 local terms energy: -709.738388 where: bonds (distance) C4'-P energy: -139.036 bonds (distance) P-C4' energy: -138.714 flat angles C4'-P-C4' energy: -152.105 flat angles P-C4'-P energy: -97.821 tors. eta vs tors. theta energy: -182.063 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: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2264.040785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.040785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.040785 (E_RNA) where: Base-Base interactions energy: -1584.155 where: short stacking energy: -638.347 Base-Backbone interact. energy: -2.542 local terms energy: -677.344406 where: bonds (distance) C4'-P energy: -138.700 bonds (distance) P-C4' energy: -131.904 flat angles C4'-P-C4' energy: -144.284 flat angles P-C4'-P energy: -108.478 tors. eta vs tors. theta energy: -153.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -2054.235849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.235849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.235849 (E_RNA) where: Base-Base interactions energy: -1424.006 where: short stacking energy: -621.137 Base-Backbone interact. energy: 0.771 local terms energy: -631.000210 where: bonds (distance) C4'-P energy: -120.519 bonds (distance) P-C4' energy: -134.418 flat angles C4'-P-C4' energy: -146.457 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -141.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1746.269636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.269636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.269636 (E_RNA) where: Base-Base interactions energy: -1207.715 where: short stacking energy: -512.624 Base-Backbone interact. energy: 7.450 local terms energy: -546.004715 where: bonds (distance) C4'-P energy: -130.951 bonds (distance) P-C4' energy: -123.077 flat angles C4'-P-C4' energy: -105.269 flat angles P-C4'-P energy: -80.542 tors. eta vs tors. theta energy: -106.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1626.619981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.619981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.619981 (E_RNA) where: Base-Base interactions energy: -1129.267 where: short stacking energy: -497.516 Base-Backbone interact. energy: -3.276 local terms energy: -494.077089 where: bonds (distance) C4'-P energy: -100.959 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -125.305 flat angles P-C4'-P energy: -68.004 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2980.429349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.429349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.429349 (E_RNA) where: Base-Base interactions energy: -2117.957 where: short stacking energy: -875.797 Base-Backbone interact. energy: -3.010 local terms energy: -859.462472 where: bonds (distance) C4'-P energy: -156.432 bonds (distance) P-C4' energy: -171.530 flat angles C4'-P-C4' energy: -177.291 flat angles P-C4'-P energy: -124.665 tors. eta vs tors. theta energy: -229.545 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: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2884.061301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.061301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.061301 (E_RNA) where: Base-Base interactions energy: -2064.577 where: short stacking energy: -888.094 Base-Backbone interact. energy: -3.012 local terms energy: -816.472220 where: bonds (distance) C4'-P energy: -134.058 bonds (distance) P-C4' energy: -150.778 flat angles C4'-P-C4' energy: -175.454 flat angles P-C4'-P energy: -123.002 tors. eta vs tors. theta energy: -233.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2776.852648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.852648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.852648 (E_RNA) where: Base-Base interactions energy: -1977.792 where: short stacking energy: -808.611 Base-Backbone interact. energy: -5.504 local terms energy: -793.556612 where: bonds (distance) C4'-P energy: -149.382 bonds (distance) P-C4' energy: -134.876 flat angles C4'-P-C4' energy: -168.772 flat angles P-C4'-P energy: -122.862 tors. eta vs tors. theta energy: -217.665 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2606.038742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.038742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.038742 (E_RNA) where: Base-Base interactions energy: -1845.282 where: short stacking energy: -781.114 Base-Backbone interact. energy: -1.594 local terms energy: -759.162330 where: bonds (distance) C4'-P energy: -151.551 bonds (distance) P-C4' energy: -139.718 flat angles C4'-P-C4' energy: -153.496 flat angles P-C4'-P energy: -106.894 tors. eta vs tors. theta energy: -207.503 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: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2476.441688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.441688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.441688 (E_RNA) where: Base-Base interactions energy: -1757.828 where: short stacking energy: -747.393 Base-Backbone interact. energy: -5.970 local terms energy: -712.643434 where: bonds (distance) C4'-P energy: -154.093 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -151.373 flat angles P-C4'-P energy: -98.434 tors. eta vs tors. theta energy: -182.093 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2356.370560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.370560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.370560 (E_RNA) where: Base-Base interactions energy: -1602.555 where: short stacking energy: -709.521 Base-Backbone interact. energy: -2.897 local terms energy: -750.919199 where: bonds (distance) C4'-P energy: -147.371 bonds (distance) P-C4' energy: -152.079 flat angles C4'-P-C4' energy: -152.094 flat angles P-C4'-P energy: -109.631 tors. eta vs tors. theta energy: -189.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2235.767613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.767613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.767613 (E_RNA) where: Base-Base interactions energy: -1576.438 where: short stacking energy: -629.224 Base-Backbone interact. energy: -2.403 local terms energy: -656.926255 where: bonds (distance) C4'-P energy: -116.130 bonds (distance) P-C4' energy: -145.635 flat angles C4'-P-C4' energy: -147.279 flat angles P-C4'-P energy: -87.418 tors. eta vs tors. theta energy: -160.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2046.430765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.430765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.430765 (E_RNA) where: Base-Base interactions energy: -1453.726 where: short stacking energy: -626.290 Base-Backbone interact. energy: -1.446 local terms energy: -591.259313 where: bonds (distance) C4'-P energy: -111.965 bonds (distance) P-C4' energy: -127.842 flat angles C4'-P-C4' energy: -143.554 flat angles P-C4'-P energy: -61.078 tors. eta vs tors. theta energy: -146.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1801.598304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.598304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.598304 (E_RNA) where: Base-Base interactions energy: -1213.043 where: short stacking energy: -517.215 Base-Backbone interact. energy: -4.109 local terms energy: -584.447003 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -131.414 flat angles C4'-P-C4' energy: -148.188 flat angles P-C4'-P energy: -82.555 tors. eta vs tors. theta energy: -88.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1578.655778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.655778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.655778 (E_RNA) where: Base-Base interactions energy: -1067.096 where: short stacking energy: -509.257 Base-Backbone interact. energy: -4.557 local terms energy: -507.002685 where: bonds (distance) C4'-P energy: -110.741 bonds (distance) P-C4' energy: -118.373 flat angles C4'-P-C4' energy: -105.400 flat angles P-C4'-P energy: -69.629 tors. eta vs tors. theta energy: -102.860 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: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3001.730248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.730248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.730248 (E_RNA) where: Base-Base interactions energy: -2105.495 where: short stacking energy: -911.876 Base-Backbone interact. energy: -3.664 local terms energy: -892.571172 where: bonds (distance) C4'-P energy: -160.860 bonds (distance) P-C4' energy: -160.309 flat angles C4'-P-C4' energy: -180.056 flat angles P-C4'-P energy: -143.407 tors. eta vs tors. theta energy: -247.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2935.349568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.349568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.349568 (E_RNA) where: Base-Base interactions energy: -2076.040 where: short stacking energy: -881.468 Base-Backbone interact. energy: -4.936 local terms energy: -854.373628 where: bonds (distance) C4'-P energy: -157.492 bonds (distance) P-C4' energy: -166.576 flat angles C4'-P-C4' energy: -182.158 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -237.500 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: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2754.268931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.268931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.268931 (E_RNA) where: Base-Base interactions energy: -1960.076 where: short stacking energy: -824.946 Base-Backbone interact. energy: -4.227 local terms energy: -789.966248 where: bonds (distance) C4'-P energy: -153.378 bonds (distance) P-C4' energy: -145.095 flat angles C4'-P-C4' energy: -169.890 flat angles P-C4'-P energy: -114.994 tors. eta vs tors. theta energy: -206.609 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2626.937588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.937588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.937588 (E_RNA) where: Base-Base interactions energy: -1830.977 where: short stacking energy: -793.295 Base-Backbone interact. energy: -2.139 local terms energy: -793.822080 where: bonds (distance) C4'-P energy: -138.311 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -166.762 flat angles P-C4'-P energy: -108.978 tors. eta vs tors. theta energy: -220.941 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: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2484.304576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.304576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.304576 (E_RNA) where: Base-Base interactions energy: -1745.727 where: short stacking energy: -732.345 Base-Backbone interact. energy: -0.420 local terms energy: -738.157787 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -139.858 flat angles C4'-P-C4' energy: -170.786 flat angles P-C4'-P energy: -118.183 tors. eta vs tors. theta energy: -181.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2353.519016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.519016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.519016 (E_RNA) where: Base-Base interactions energy: -1636.077 where: short stacking energy: -718.019 Base-Backbone interact. energy: -3.397 local terms energy: -714.044152 where: bonds (distance) C4'-P energy: -125.609 bonds (distance) P-C4' energy: -143.692 flat angles C4'-P-C4' energy: -160.996 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: -192.504 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2185.054982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.054982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.054982 (E_RNA) where: Base-Base interactions energy: -1527.701 where: short stacking energy: -645.370 Base-Backbone interact. energy: -5.571 local terms energy: -651.782559 where: bonds (distance) C4'-P energy: -129.565 bonds (distance) P-C4' energy: -139.833 flat angles C4'-P-C4' energy: -141.733 flat angles P-C4'-P energy: -92.132 tors. eta vs tors. theta energy: -148.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -2030.475970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.475970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.475970 (E_RNA) where: Base-Base interactions energy: -1427.153 where: short stacking energy: -597.149 Base-Backbone interact. energy: -2.445 local terms energy: -600.877780 where: bonds (distance) C4'-P energy: -113.032 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -146.560 flat angles P-C4'-P energy: -93.723 tors. eta vs tors. theta energy: -122.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1763.179059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.179059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.179059 (E_RNA) where: Base-Base interactions energy: -1203.966 where: short stacking energy: -532.228 Base-Backbone interact. energy: -2.858 local terms energy: -556.355164 where: bonds (distance) C4'-P energy: -118.487 bonds (distance) P-C4' energy: -117.477 flat angles C4'-P-C4' energy: -127.652 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -110.659 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: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1584.036012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.036012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.036012 (E_RNA) where: Base-Base interactions energy: -1057.875 where: short stacking energy: -452.336 Base-Backbone interact. energy: -2.426 local terms energy: -523.735044 where: bonds (distance) C4'-P energy: -127.298 bonds (distance) P-C4' energy: -126.513 flat angles C4'-P-C4' energy: -108.511 flat angles P-C4'-P energy: -72.394 tors. eta vs tors. theta energy: -89.018 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: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2958.109951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.109951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.109951 (E_RNA) where: Base-Base interactions energy: -2089.740 where: short stacking energy: -882.462 Base-Backbone interact. energy: -3.949 local terms energy: -864.421549 where: bonds (distance) C4'-P energy: -148.131 bonds (distance) P-C4' energy: -149.105 flat angles C4'-P-C4' energy: -193.788 flat angles P-C4'-P energy: -121.251 tors. eta vs tors. theta energy: -252.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2899.128088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.128088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.128088 (E_RNA) where: Base-Base interactions energy: -2045.142 where: short stacking energy: -883.409 Base-Backbone interact. energy: -5.899 local terms energy: -848.086494 where: bonds (distance) C4'-P energy: -150.688 bonds (distance) P-C4' energy: -160.975 flat angles C4'-P-C4' energy: -185.302 flat angles P-C4'-P energy: -112.069 tors. eta vs tors. theta energy: -239.053 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: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2754.714076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.714076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.714076 (E_RNA) where: Base-Base interactions energy: -1941.232 where: short stacking energy: -823.297 Base-Backbone interact. energy: -5.436 local terms energy: -808.045924 where: bonds (distance) C4'-P energy: -145.574 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -168.260 flat angles P-C4'-P energy: -119.657 tors. eta vs tors. theta energy: -221.771 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2632.290594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.290594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.290594 (E_RNA) where: Base-Base interactions energy: -1864.644 where: short stacking energy: -794.467 Base-Backbone interact. energy: -2.198 local terms energy: -765.447870 where: bonds (distance) C4'-P energy: -148.515 bonds (distance) P-C4' energy: -152.379 flat angles C4'-P-C4' energy: -154.396 flat angles P-C4'-P energy: -107.337 tors. eta vs tors. theta energy: -202.821 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: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2510.737107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.737107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.737107 (E_RNA) where: Base-Base interactions energy: -1793.987 where: short stacking energy: -775.950 Base-Backbone interact. energy: 2.779 local terms energy: -719.529049 where: bonds (distance) C4'-P energy: -129.292 bonds (distance) P-C4' energy: -152.277 flat angles C4'-P-C4' energy: -153.909 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -188.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2355.514426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.514426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.514426 (E_RNA) where: Base-Base interactions energy: -1626.526 where: short stacking energy: -712.633 Base-Backbone interact. energy: -2.106 local terms energy: -726.882536 where: bonds (distance) C4'-P energy: -124.402 bonds (distance) P-C4' energy: -141.868 flat angles C4'-P-C4' energy: -163.199 flat angles P-C4'-P energy: -109.954 tors. eta vs tors. theta energy: -187.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2207.203630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.203630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.203630 (E_RNA) where: Base-Base interactions energy: -1574.817 where: short stacking energy: -634.435 Base-Backbone interact. energy: -4.540 local terms energy: -627.846767 where: bonds (distance) C4'-P energy: -123.090 bonds (distance) P-C4' energy: -134.936 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -82.716 tors. eta vs tors. theta energy: -145.283 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: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -2081.887266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.887266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.887266 (E_RNA) where: Base-Base interactions energy: -1429.922 where: short stacking energy: -650.763 Base-Backbone interact. energy: 2.764 local terms energy: -654.729136 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -133.979 flat angles C4'-P-C4' energy: -124.856 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -160.711 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: 251 Temperature: 1.300000 Total energy: -1715.924669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.924669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.924669 (E_RNA) where: Base-Base interactions energy: -1129.535 where: short stacking energy: -485.672 Base-Backbone interact. energy: -3.037 local terms energy: -583.352797 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -147.103 flat angles P-C4'-P energy: -73.957 tors. eta vs tors. theta energy: -100.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1502.786504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.786504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.786504 (E_RNA) where: Base-Base interactions energy: -994.550 where: short stacking energy: -436.786 Base-Backbone interact. energy: -3.134 local terms energy: -505.102208 where: bonds (distance) C4'-P energy: -123.551 bonds (distance) P-C4' energy: -120.227 flat angles C4'-P-C4' energy: -114.808 flat angles P-C4'-P energy: -67.087 tors. eta vs tors. theta energy: -79.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2958.139485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.139485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.139485 (E_RNA) where: Base-Base interactions energy: -2085.327 where: short stacking energy: -896.743 Base-Backbone interact. energy: -4.654 local terms energy: -868.158591 where: bonds (distance) C4'-P energy: -163.873 bonds (distance) P-C4' energy: -156.989 flat angles C4'-P-C4' energy: -176.634 flat angles P-C4'-P energy: -117.265 tors. eta vs tors. theta energy: -253.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2878.724266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.724266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.724266 (E_RNA) where: Base-Base interactions energy: -2072.996 where: short stacking energy: -858.208 Base-Backbone interact. energy: -0.135 local terms energy: -805.593951 where: bonds (distance) C4'-P energy: -129.868 bonds (distance) P-C4' energy: -148.468 flat angles C4'-P-C4' energy: -186.931 flat angles P-C4'-P energy: -122.884 tors. eta vs tors. theta energy: -217.443 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: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2782.079220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.079220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.079220 (E_RNA) where: Base-Base interactions energy: -1979.914 where: short stacking energy: -797.485 Base-Backbone interact. energy: -1.368 local terms energy: -800.797531 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -150.773 flat angles C4'-P-C4' energy: -171.932 flat angles P-C4'-P energy: -127.456 tors. eta vs tors. theta energy: -209.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2633.926288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.926288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.926288 (E_RNA) where: Base-Base interactions energy: -1890.102 where: short stacking energy: -759.390 Base-Backbone interact. energy: 1.319 local terms energy: -745.143545 where: bonds (distance) C4'-P energy: -130.894 bonds (distance) P-C4' energy: -145.411 flat angles C4'-P-C4' energy: -165.916 flat angles P-C4'-P energy: -99.477 tors. eta vs tors. theta energy: -203.445 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: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2555.153053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.153053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.153053 (E_RNA) where: Base-Base interactions energy: -1788.905 where: short stacking energy: -717.672 Base-Backbone interact. energy: -4.161 local terms energy: -762.086703 where: bonds (distance) C4'-P energy: -132.985 bonds (distance) P-C4' energy: -141.636 flat angles C4'-P-C4' energy: -177.210 flat angles P-C4'-P energy: -115.914 tors. eta vs tors. theta energy: -194.342 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: 252 Temperature: 1.150000 Total energy: -2414.972683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.972683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.972683 (E_RNA) where: Base-Base interactions energy: -1709.044 where: short stacking energy: -734.361 Base-Backbone interact. energy: -1.599 local terms energy: -704.329610 where: bonds (distance) C4'-P energy: -129.878 bonds (distance) P-C4' energy: -136.147 flat angles C4'-P-C4' energy: -151.107 flat angles P-C4'-P energy: -89.514 tors. eta vs tors. theta energy: -197.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2171.910168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.910168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.910168 (E_RNA) where: Base-Base interactions energy: -1525.427 where: short stacking energy: -640.334 Base-Backbone interact. energy: -2.733 local terms energy: -643.749869 where: bonds (distance) C4'-P energy: -136.180 bonds (distance) P-C4' energy: -130.099 flat angles C4'-P-C4' energy: -152.061 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: -145.352 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: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2188.053056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.053056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.053056 (E_RNA) where: Base-Base interactions energy: -1541.969 where: short stacking energy: -635.854 Base-Backbone interact. energy: -1.687 local terms energy: -644.397821 where: bonds (distance) C4'-P energy: -127.645 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -143.907 flat angles P-C4'-P energy: -95.823 tors. eta vs tors. theta energy: -151.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1740.167357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.167357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.167357 (E_RNA) where: Base-Base interactions energy: -1164.913 where: short stacking energy: -469.566 Base-Backbone interact. energy: -0.680 local terms energy: -574.574960 where: bonds (distance) C4'-P energy: -117.700 bonds (distance) P-C4' energy: -137.647 flat angles C4'-P-C4' energy: -146.740 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -83.924 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: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1525.848741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.848741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.848741 (E_RNA) where: Base-Base interactions energy: -1013.746 where: short stacking energy: -445.853 Base-Backbone interact. energy: -1.328 local terms energy: -510.774869 where: bonds (distance) C4'-P energy: -105.228 bonds (distance) P-C4' energy: -147.084 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -72.831 tors. eta vs tors. theta energy: -75.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2970.777422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.777422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.777422 (E_RNA) where: Base-Base interactions energy: -2094.292 where: short stacking energy: -887.625 Base-Backbone interact. energy: -5.180 local terms energy: -871.305411 where: bonds (distance) C4'-P energy: -152.384 bonds (distance) P-C4' energy: -163.146 flat angles C4'-P-C4' energy: -179.759 flat angles P-C4'-P energy: -137.192 tors. eta vs tors. theta energy: -238.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2901.509005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.509005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.509005 (E_RNA) where: Base-Base interactions energy: -2066.026 where: short stacking energy: -867.470 Base-Backbone interact. energy: -0.362 local terms energy: -835.121778 where: bonds (distance) C4'-P energy: -144.435 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -181.235 flat angles P-C4'-P energy: -128.892 tors. eta vs tors. theta energy: -227.399 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: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2779.011459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.011459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.011459 (E_RNA) where: Base-Base interactions energy: -1950.472 where: short stacking energy: -802.539 Base-Backbone interact. energy: -5.531 local terms energy: -823.008173 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -164.387 flat angles C4'-P-C4' energy: -182.286 flat angles P-C4'-P energy: -119.027 tors. eta vs tors. theta energy: -216.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2644.472610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.472610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.472610 (E_RNA) where: Base-Base interactions energy: -1849.492 where: short stacking energy: -755.637 Base-Backbone interact. energy: -5.774 local terms energy: -789.206754 where: bonds (distance) C4'-P energy: -143.126 bonds (distance) P-C4' energy: -158.630 flat angles C4'-P-C4' energy: -180.071 flat angles P-C4'-P energy: -105.685 tors. eta vs tors. theta energy: -201.694 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: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2529.189085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.189085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.189085 (E_RNA) where: Base-Base interactions energy: -1821.642 where: short stacking energy: -761.620 Base-Backbone interact. energy: -3.499 local terms energy: -704.047710 where: bonds (distance) C4'-P energy: -118.871 bonds (distance) P-C4' energy: -141.596 flat angles C4'-P-C4' energy: -155.360 flat angles P-C4'-P energy: -102.413 tors. eta vs tors. theta energy: -185.807 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: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2387.219120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.219120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.219120 (E_RNA) where: Base-Base interactions energy: -1642.670 where: short stacking energy: -715.484 Base-Backbone interact. energy: -1.413 local terms energy: -743.135606 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -146.235 flat angles C4'-P-C4' energy: -165.997 flat angles P-C4'-P energy: -110.515 tors. eta vs tors. theta energy: -190.010 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: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2161.833656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.833656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.833656 (E_RNA) where: Base-Base interactions energy: -1508.789 where: short stacking energy: -633.220 Base-Backbone interact. energy: 1.133 local terms energy: -654.177548 where: bonds (distance) C4'-P energy: -136.254 bonds (distance) P-C4' energy: -143.888 flat angles C4'-P-C4' energy: -157.494 flat angles P-C4'-P energy: -78.975 tors. eta vs tors. theta energy: -137.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2083.076538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.076538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.076538 (E_RNA) where: Base-Base interactions energy: -1472.850 where: short stacking energy: -630.498 Base-Backbone interact. energy: -4.801 local terms energy: -605.425824 where: bonds (distance) C4'-P energy: -131.481 bonds (distance) P-C4' energy: -121.050 flat angles C4'-P-C4' energy: -132.663 flat angles P-C4'-P energy: -86.231 tors. eta vs tors. theta energy: -134.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1739.481740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.481740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.481740 (E_RNA) where: Base-Base interactions energy: -1180.549 where: short stacking energy: -530.514 Base-Backbone interact. energy: 3.281 local terms energy: -562.213436 where: bonds (distance) C4'-P energy: -124.436 bonds (distance) P-C4' energy: -137.514 flat angles C4'-P-C4' energy: -122.852 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -104.400 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: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1541.807164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.807164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.807164 (E_RNA) where: Base-Base interactions energy: -1023.494 where: short stacking energy: -460.678 Base-Backbone interact. energy: 2.232 local terms energy: -520.544988 where: bonds (distance) C4'-P energy: -106.729 bonds (distance) P-C4' energy: -133.102 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -101.911 tors. eta vs tors. theta energy: -66.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2964.325913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.325913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.325913 (E_RNA) where: Base-Base interactions energy: -2081.594 where: short stacking energy: -873.792 Base-Backbone interact. energy: -5.496 local terms energy: -877.235422 where: bonds (distance) C4'-P energy: -170.940 bonds (distance) P-C4' energy: -158.355 flat angles C4'-P-C4' energy: -180.355 flat angles P-C4'-P energy: -120.704 tors. eta vs tors. theta energy: -246.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2921.675514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.675514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.675514 (E_RNA) where: Base-Base interactions energy: -2085.572 where: short stacking energy: -877.130 Base-Backbone interact. energy: -7.043 local terms energy: -829.060895 where: bonds (distance) C4'-P energy: -145.468 bonds (distance) P-C4' energy: -158.165 flat angles C4'-P-C4' energy: -173.506 flat angles P-C4'-P energy: -110.092 tors. eta vs tors. theta energy: -241.829 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: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2783.088109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.088109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.088109 (E_RNA) where: Base-Base interactions energy: -1935.097 where: short stacking energy: -812.566 Base-Backbone interact. energy: -2.837 local terms energy: -845.154748 where: bonds (distance) C4'-P energy: -164.676 bonds (distance) P-C4' energy: -156.394 flat angles C4'-P-C4' energy: -182.635 flat angles P-C4'-P energy: -123.127 tors. eta vs tors. theta energy: -218.322 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2620.185240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.185240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.185240 (E_RNA) where: Base-Base interactions energy: -1860.816 where: short stacking energy: -769.881 Base-Backbone interact. energy: -4.445 local terms energy: -754.924795 where: bonds (distance) C4'-P energy: -125.092 bonds (distance) P-C4' energy: -155.032 flat angles C4'-P-C4' energy: -174.151 flat angles P-C4'-P energy: -110.791 tors. eta vs tors. theta energy: -189.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2510.920024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.920024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.920024 (E_RNA) where: Base-Base interactions energy: -1779.943 where: short stacking energy: -744.891 Base-Backbone interact. energy: 0.423 local terms energy: -731.399605 where: bonds (distance) C4'-P energy: -153.369 bonds (distance) P-C4' energy: -140.753 flat angles C4'-P-C4' energy: -167.260 flat angles P-C4'-P energy: -97.269 tors. eta vs tors. theta energy: -172.748 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: 254 Temperature: 1.150000 Total energy: -2407.838471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.838471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.838471 (E_RNA) where: Base-Base interactions energy: -1645.223 where: short stacking energy: -730.684 Base-Backbone interact. energy: -1.099 local terms energy: -761.516382 where: bonds (distance) C4'-P energy: -153.224 bonds (distance) P-C4' energy: -139.438 flat angles C4'-P-C4' energy: -159.552 flat angles P-C4'-P energy: -115.345 tors. eta vs tors. theta energy: -193.957 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2165.466240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.466240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.466240 (E_RNA) where: Base-Base interactions energy: -1536.660 where: short stacking energy: -643.917 Base-Backbone interact. energy: -4.832 local terms energy: -623.974065 where: bonds (distance) C4'-P energy: -119.117 bonds (distance) P-C4' energy: -133.478 flat angles C4'-P-C4' energy: -148.009 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -145.388 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: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2058.275252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.275252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.275252 (E_RNA) where: Base-Base interactions energy: -1420.032 where: short stacking energy: -588.466 Base-Backbone interact. energy: -6.249 local terms energy: -631.993708 where: bonds (distance) C4'-P energy: -135.803 bonds (distance) P-C4' energy: -136.586 flat angles C4'-P-C4' energy: -137.264 flat angles P-C4'-P energy: -96.753 tors. eta vs tors. theta energy: -125.588 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: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1754.064452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.064452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.064452 (E_RNA) where: Base-Base interactions energy: -1186.344 where: short stacking energy: -525.211 Base-Backbone interact. energy: 1.089 local terms energy: -568.809130 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -143.716 flat angles C4'-P-C4' energy: -120.958 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: -109.219 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: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1539.314926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.314926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.314926 (E_RNA) where: Base-Base interactions energy: -1013.803 where: short stacking energy: -464.091 Base-Backbone interact. energy: 0.886 local terms energy: -526.398339 where: bonds (distance) C4'-P energy: -123.437 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -111.045 flat angles P-C4'-P energy: -91.209 tors. eta vs tors. theta energy: -79.101 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: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2966.151550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.151550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.151550 (E_RNA) where: Base-Base interactions energy: -2091.033 where: short stacking energy: -903.548 Base-Backbone interact. energy: -3.072 local terms energy: -872.046419 where: bonds (distance) C4'-P energy: -159.062 bonds (distance) P-C4' energy: -165.162 flat angles C4'-P-C4' energy: -186.617 flat angles P-C4'-P energy: -119.696 tors. eta vs tors. theta energy: -241.509 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2888.682175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.682175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.682175 (E_RNA) where: Base-Base interactions energy: -2076.031 where: short stacking energy: -862.176 Base-Backbone interact. energy: 2.180 local terms energy: -814.831300 where: bonds (distance) C4'-P energy: -144.419 bonds (distance) P-C4' energy: -165.558 flat angles C4'-P-C4' energy: -171.447 flat angles P-C4'-P energy: -112.463 tors. eta vs tors. theta energy: -220.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2811.099997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.099997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.099997 (E_RNA) where: Base-Base interactions energy: -2001.994 where: short stacking energy: -847.571 Base-Backbone interact. energy: -4.878 local terms energy: -804.228093 where: bonds (distance) C4'-P energy: -147.096 bonds (distance) P-C4' energy: -150.566 flat angles C4'-P-C4' energy: -170.799 flat angles P-C4'-P energy: -106.061 tors. eta vs tors. theta energy: -229.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2669.110470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.110470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.110470 (E_RNA) where: Base-Base interactions energy: -1875.928 where: short stacking energy: -778.396 Base-Backbone interact. energy: -3.503 local terms energy: -789.679828 where: bonds (distance) C4'-P energy: -156.671 bonds (distance) P-C4' energy: -153.078 flat angles C4'-P-C4' energy: -171.121 flat angles P-C4'-P energy: -104.026 tors. eta vs tors. theta energy: -204.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2472.793043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.793043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.793043 (E_RNA) where: Base-Base interactions energy: -1780.154 where: short stacking energy: -737.634 Base-Backbone interact. energy: -1.899 local terms energy: -690.740539 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -122.199 flat angles C4'-P-C4' energy: -147.419 flat angles P-C4'-P energy: -99.877 tors. eta vs tors. theta energy: -203.933 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: 255 Temperature: 1.150000 Total energy: -2413.236687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.236687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.236687 (E_RNA) where: Base-Base interactions energy: -1688.763 where: short stacking energy: -742.355 Base-Backbone interact. energy: 1.582 local terms energy: -726.055767 where: bonds (distance) C4'-P energy: -133.652 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -159.811 flat angles P-C4'-P energy: -116.602 tors. eta vs tors. theta energy: -189.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2169.030901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.030901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.030901 (E_RNA) where: Base-Base interactions energy: -1508.947 where: short stacking energy: -635.312 Base-Backbone interact. energy: -2.680 local terms energy: -657.404021 where: bonds (distance) C4'-P energy: -120.926 bonds (distance) P-C4' energy: -152.341 flat angles C4'-P-C4' energy: -151.400 flat angles P-C4'-P energy: -104.235 tors. eta vs tors. theta energy: -128.502 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: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2062.661074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.661074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.661074 (E_RNA) where: Base-Base interactions energy: -1412.902 where: short stacking energy: -593.265 Base-Backbone interact. energy: -2.555 local terms energy: -647.204044 where: bonds (distance) C4'-P energy: -123.847 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -160.775 flat angles P-C4'-P energy: -69.519 tors. eta vs tors. theta energy: -146.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1709.989295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.989295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.989295 (E_RNA) where: Base-Base interactions energy: -1106.858 where: short stacking energy: -511.431 Base-Backbone interact. energy: -1.832 local terms energy: -601.299907 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -129.486 flat angles C4'-P-C4' energy: -145.845 flat angles P-C4'-P energy: -102.590 tors. eta vs tors. theta energy: -100.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1580.473967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.473967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.473967 (E_RNA) where: Base-Base interactions energy: -1027.325 where: short stacking energy: -462.673 Base-Backbone interact. energy: -0.361 local terms energy: -552.787839 where: bonds (distance) C4'-P energy: -127.019 bonds (distance) P-C4' energy: -129.300 flat angles C4'-P-C4' energy: -122.685 flat angles P-C4'-P energy: -102.060 tors. eta vs tors. theta energy: -71.725 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: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2982.465769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.465769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.465769 (E_RNA) where: Base-Base interactions energy: -2118.638 where: short stacking energy: -901.248 Base-Backbone interact. energy: -3.817 local terms energy: -860.009952 where: bonds (distance) C4'-P energy: -158.048 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -172.564 flat angles P-C4'-P energy: -119.988 tors. eta vs tors. theta energy: -249.047 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: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2897.551893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.551893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.551893 (E_RNA) where: Base-Base interactions energy: -2052.775 where: short stacking energy: -844.460 Base-Backbone interact. energy: -2.744 local terms energy: -842.033069 where: bonds (distance) C4'-P energy: -155.467 bonds (distance) P-C4' energy: -155.318 flat angles C4'-P-C4' energy: -179.261 flat angles P-C4'-P energy: -124.080 tors. eta vs tors. theta energy: -227.908 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: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2818.147522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.147522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.147522 (E_RNA) where: Base-Base interactions energy: -2006.817 where: short stacking energy: -832.919 Base-Backbone interact. energy: -1.725 local terms energy: -809.606136 where: bonds (distance) C4'-P energy: -133.927 bonds (distance) P-C4' energy: -164.292 flat angles C4'-P-C4' energy: -185.322 flat angles P-C4'-P energy: -107.703 tors. eta vs tors. theta energy: -218.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2631.274466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.274466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.274466 (E_RNA) where: Base-Base interactions energy: -1840.895 where: short stacking energy: -796.010 Base-Backbone interact. energy: -4.689 local terms energy: -785.690282 where: bonds (distance) C4'-P energy: -162.645 bonds (distance) P-C4' energy: -148.330 flat angles C4'-P-C4' energy: -165.877 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -204.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2437.751208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.751208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.751208 (E_RNA) where: Base-Base interactions energy: -1738.091 where: short stacking energy: -687.104 Base-Backbone interact. energy: -3.737 local terms energy: -695.923287 where: bonds (distance) C4'-P energy: -141.897 bonds (distance) P-C4' energy: -140.025 flat angles C4'-P-C4' energy: -142.791 flat angles P-C4'-P energy: -102.457 tors. eta vs tors. theta energy: -168.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2419.208674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.208674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.208674 (E_RNA) where: Base-Base interactions energy: -1646.061 where: short stacking energy: -716.675 Base-Backbone interact. energy: -2.202 local terms energy: -770.945622 where: bonds (distance) C4'-P energy: -126.129 bonds (distance) P-C4' energy: -163.558 flat angles C4'-P-C4' energy: -176.176 flat angles P-C4'-P energy: -95.550 tors. eta vs tors. theta energy: -209.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2178.293325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.293325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.293325 (E_RNA) where: Base-Base interactions energy: -1506.227 where: short stacking energy: -645.737 Base-Backbone interact. energy: 1.297 local terms energy: -673.362931 where: bonds (distance) C4'-P energy: -133.085 bonds (distance) P-C4' energy: -123.870 flat angles C4'-P-C4' energy: -156.480 flat angles P-C4'-P energy: -91.291 tors. eta vs tors. theta energy: -168.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2095.489459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.489459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.489459 (E_RNA) where: Base-Base interactions energy: -1498.127 where: short stacking energy: -628.665 Base-Backbone interact. energy: -3.765 local terms energy: -593.597772 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -116.154 flat angles C4'-P-C4' energy: -145.041 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -134.361 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: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1713.709214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.709214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.709214 (E_RNA) where: Base-Base interactions energy: -1173.957 where: short stacking energy: -520.115 Base-Backbone interact. energy: -0.506 local terms energy: -539.246855 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -141.069 flat angles C4'-P-C4' energy: -120.725 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -95.107 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: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1583.670819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.670819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.670819 (E_RNA) where: Base-Base interactions energy: -1044.465 where: short stacking energy: -469.071 Base-Backbone interact. energy: 3.388 local terms energy: -542.593850 where: bonds (distance) C4'-P energy: -129.156 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -106.987 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -82.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2989.270212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.270212 (E_RNA) where: Base-Base interactions energy: -2128.397 where: short stacking energy: -887.782 Base-Backbone interact. energy: -3.603 local terms energy: -857.270560 where: bonds (distance) C4'-P energy: -164.520 bonds (distance) P-C4' energy: -139.691 flat angles C4'-P-C4' energy: -185.884 flat angles P-C4'-P energy: -117.983 tors. eta vs tors. theta energy: -249.193 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: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2895.331928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.331928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.331928 (E_RNA) where: Base-Base interactions energy: -2058.245 where: short stacking energy: -850.764 Base-Backbone interact. energy: -3.633 local terms energy: -833.453531 where: bonds (distance) C4'-P energy: -153.941 bonds (distance) P-C4' energy: -149.160 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -130.953 tors. eta vs tors. theta energy: -227.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2844.332977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.332977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.332977 (E_RNA) where: Base-Base interactions energy: -2006.129 where: short stacking energy: -833.799 Base-Backbone interact. energy: -4.078 local terms energy: -834.125948 where: bonds (distance) C4'-P energy: -140.971 bonds (distance) P-C4' energy: -157.822 flat angles C4'-P-C4' energy: -175.884 flat angles P-C4'-P energy: -117.832 tors. eta vs tors. theta energy: -241.618 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: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2639.341884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.341884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.341884 (E_RNA) where: Base-Base interactions energy: -1846.878 where: short stacking energy: -778.080 Base-Backbone interact. energy: -1.317 local terms energy: -791.147623 where: bonds (distance) C4'-P energy: -145.929 bonds (distance) P-C4' energy: -146.245 flat angles C4'-P-C4' energy: -178.549 flat angles P-C4'-P energy: -111.657 tors. eta vs tors. theta energy: -208.768 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: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2453.874633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.874633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.874633 (E_RNA) where: Base-Base interactions energy: -1739.523 where: short stacking energy: -717.007 Base-Backbone interact. energy: -2.724 local terms energy: -711.627705 where: bonds (distance) C4'-P energy: -135.115 bonds (distance) P-C4' energy: -143.046 flat angles C4'-P-C4' energy: -163.811 flat angles P-C4'-P energy: -106.160 tors. eta vs tors. theta energy: -163.496 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: 257 Temperature: 1.150000 Total energy: -2362.170890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.170890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.170890 (E_RNA) where: Base-Base interactions energy: -1640.752 where: short stacking energy: -703.831 Base-Backbone interact. energy: -0.936 local terms energy: -720.482893 where: bonds (distance) C4'-P energy: -133.188 bonds (distance) P-C4' energy: -158.457 flat angles C4'-P-C4' energy: -147.492 flat angles P-C4'-P energy: -90.614 tors. eta vs tors. theta energy: -190.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2216.794273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.794273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.794273 (E_RNA) where: Base-Base interactions energy: -1582.778 where: short stacking energy: -656.140 Base-Backbone interact. energy: 2.354 local terms energy: -636.370077 where: bonds (distance) C4'-P energy: -104.605 bonds (distance) P-C4' energy: -137.075 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -96.348 tors. eta vs tors. theta energy: -153.128 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: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2025.635652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.635652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.635652 (E_RNA) where: Base-Base interactions energy: -1415.993 where: short stacking energy: -610.938 Base-Backbone interact. energy: 4.612 local terms energy: -614.253970 where: bonds (distance) C4'-P energy: -113.928 bonds (distance) P-C4' energy: -144.808 flat angles C4'-P-C4' energy: -142.305 flat angles P-C4'-P energy: -66.206 tors. eta vs tors. theta energy: -147.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1712.066664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.066664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.066664 (E_RNA) where: Base-Base interactions energy: -1141.532 where: short stacking energy: -493.481 Base-Backbone interact. energy: 4.363 local terms energy: -574.897229 where: bonds (distance) C4'-P energy: -125.012 bonds (distance) P-C4' energy: -128.094 flat angles C4'-P-C4' energy: -132.288 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -110.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1605.767482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.767482 (E_RNA) where: Base-Base interactions energy: -1080.578 where: short stacking energy: -495.433 Base-Backbone interact. energy: 0.104 local terms energy: -525.293721 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -143.291 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -80.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2992.834169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.834169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.834169 (E_RNA) where: Base-Base interactions energy: -2091.187 where: short stacking energy: -874.070 Base-Backbone interact. energy: -6.942 local terms energy: -894.705635 where: bonds (distance) C4'-P energy: -169.420 bonds (distance) P-C4' energy: -176.063 flat angles C4'-P-C4' energy: -192.917 flat angles P-C4'-P energy: -116.320 tors. eta vs tors. theta energy: -239.985 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: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2901.853056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.853056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.853056 (E_RNA) where: Base-Base interactions energy: -2045.232 where: short stacking energy: -850.192 Base-Backbone interact. energy: -1.311 local terms energy: -855.310193 where: bonds (distance) C4'-P energy: -164.309 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -188.637 flat angles P-C4'-P energy: -114.716 tors. eta vs tors. theta energy: -228.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2832.338466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.338466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.338466 (E_RNA) where: Base-Base interactions energy: -2022.689 where: short stacking energy: -848.433 Base-Backbone interact. energy: -8.499 local terms energy: -801.150146 where: bonds (distance) C4'-P energy: -148.370 bonds (distance) P-C4' energy: -138.377 flat angles C4'-P-C4' energy: -172.988 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -229.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2655.124890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.124890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.124890 (E_RNA) where: Base-Base interactions energy: -1861.126 where: short stacking energy: -780.861 Base-Backbone interact. energy: -1.373 local terms energy: -792.625267 where: bonds (distance) C4'-P energy: -148.489 bonds (distance) P-C4' energy: -158.303 flat angles C4'-P-C4' energy: -155.988 flat angles P-C4'-P energy: -108.357 tors. eta vs tors. theta energy: -221.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2443.222151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.222151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.222151 (E_RNA) where: Base-Base interactions energy: -1707.373 where: short stacking energy: -685.136 Base-Backbone interact. energy: -2.384 local terms energy: -733.464774 where: bonds (distance) C4'-P energy: -149.227 bonds (distance) P-C4' energy: -159.995 flat angles C4'-P-C4' energy: -159.990 flat angles P-C4'-P energy: -91.720 tors. eta vs tors. theta energy: -172.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2430.806125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.806125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.806125 (E_RNA) where: Base-Base interactions energy: -1688.767 where: short stacking energy: -754.675 Base-Backbone interact. energy: -0.239 local terms energy: -741.800617 where: bonds (distance) C4'-P energy: -139.396 bonds (distance) P-C4' energy: -129.610 flat angles C4'-P-C4' energy: -163.678 flat angles P-C4'-P energy: -107.667 tors. eta vs tors. theta energy: -201.450 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: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2246.368232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.368232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.368232 (E_RNA) where: Base-Base interactions energy: -1540.025 where: short stacking energy: -651.308 Base-Backbone interact. energy: -1.812 local terms energy: -704.532050 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -150.627 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -152.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -2001.798661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.798661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.798661 (E_RNA) where: Base-Base interactions energy: -1394.344 where: short stacking energy: -562.508 Base-Backbone interact. energy: 2.112 local terms energy: -609.567166 where: bonds (distance) C4'-P energy: -142.812 bonds (distance) P-C4' energy: -129.456 flat angles C4'-P-C4' energy: -126.927 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -116.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1786.205560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.205560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.205560 (E_RNA) where: Base-Base interactions energy: -1184.479 where: short stacking energy: -537.899 Base-Backbone interact. energy: 3.232 local terms energy: -604.958580 where: bonds (distance) C4'-P energy: -118.786 bonds (distance) P-C4' energy: -149.900 flat angles C4'-P-C4' energy: -128.104 flat angles P-C4'-P energy: -90.108 tors. eta vs tors. theta energy: -118.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1489.932049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.932049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.932049 (E_RNA) where: Base-Base interactions energy: -982.069 where: short stacking energy: -425.675 Base-Backbone interact. energy: 0.511 local terms energy: -508.373730 where: bonds (distance) C4'-P energy: -111.703 bonds (distance) P-C4' energy: -112.465 flat angles C4'-P-C4' energy: -143.098 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -68.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2997.436916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.436916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.436916 (E_RNA) where: Base-Base interactions energy: -2129.308 where: short stacking energy: -921.125 Base-Backbone interact. energy: -5.037 local terms energy: -863.092183 where: bonds (distance) C4'-P energy: -150.176 bonds (distance) P-C4' energy: -159.028 flat angles C4'-P-C4' energy: -186.383 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -247.571 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: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2895.209357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.209357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.209357 (E_RNA) where: Base-Base interactions energy: -2060.323 where: short stacking energy: -846.353 Base-Backbone interact. energy: -2.369 local terms energy: -832.516977 where: bonds (distance) C4'-P energy: -154.078 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -183.514 flat angles P-C4'-P energy: -118.668 tors. eta vs tors. theta energy: -216.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2838.565077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.565077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.565077 (E_RNA) where: Base-Base interactions energy: -2001.519 where: short stacking energy: -810.600 Base-Backbone interact. energy: -6.896 local terms energy: -830.149667 where: bonds (distance) C4'-P energy: -162.394 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -165.581 flat angles P-C4'-P energy: -110.083 tors. eta vs tors. theta energy: -234.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2656.531929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.531929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.531929 (E_RNA) where: Base-Base interactions energy: -1885.535 where: short stacking energy: -789.161 Base-Backbone interact. energy: -4.132 local terms energy: -766.865358 where: bonds (distance) C4'-P energy: -139.178 bonds (distance) P-C4' energy: -137.362 flat angles C4'-P-C4' energy: -176.427 flat angles P-C4'-P energy: -110.725 tors. eta vs tors. theta energy: -203.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2448.637624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.637624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.637624 (E_RNA) where: Base-Base interactions energy: -1711.890 where: short stacking energy: -675.108 Base-Backbone interact. energy: -1.686 local terms energy: -735.060961 where: bonds (distance) C4'-P energy: -141.359 bonds (distance) P-C4' energy: -152.539 flat angles C4'-P-C4' energy: -179.331 flat angles P-C4'-P energy: -103.531 tors. eta vs tors. theta energy: -158.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2330.423420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.423420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.423420 (E_RNA) where: Base-Base interactions energy: -1592.257 where: short stacking energy: -699.197 Base-Backbone interact. energy: -1.985 local terms energy: -736.181388 where: bonds (distance) C4'-P energy: -127.514 bonds (distance) P-C4' energy: -138.211 flat angles C4'-P-C4' energy: -167.138 flat angles P-C4'-P energy: -109.677 tors. eta vs tors. theta energy: -193.642 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: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2204.016635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.016635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.016635 (E_RNA) where: Base-Base interactions energy: -1509.726 where: short stacking energy: -640.999 Base-Backbone interact. energy: -4.279 local terms energy: -690.011193 where: bonds (distance) C4'-P energy: -152.692 bonds (distance) P-C4' energy: -125.674 flat angles C4'-P-C4' energy: -143.733 flat angles P-C4'-P energy: -107.617 tors. eta vs tors. theta energy: -160.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1979.427282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.427282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.427282 (E_RNA) where: Base-Base interactions energy: -1387.025 where: short stacking energy: -599.559 Base-Backbone interact. energy: -4.299 local terms energy: -588.103845 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -111.987 flat angles C4'-P-C4' energy: -147.825 flat angles P-C4'-P energy: -91.857 tors. eta vs tors. theta energy: -119.254 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: 9, replica: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1780.004581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.004581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.004581 (E_RNA) where: Base-Base interactions energy: -1185.612 where: short stacking energy: -527.551 Base-Backbone interact. energy: 2.578 local terms energy: -596.970339 where: bonds (distance) C4'-P energy: -133.761 bonds (distance) P-C4' energy: -129.738 flat angles C4'-P-C4' energy: -128.124 flat angles P-C4'-P energy: -85.461 tors. eta vs tors. theta energy: -119.887 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: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1510.264253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.264253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.264253 (E_RNA) where: Base-Base interactions energy: -975.874 where: short stacking energy: -444.648 Base-Backbone interact. energy: -1.957 local terms energy: -532.433050 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -118.640 flat angles C4'-P-C4' energy: -145.854 flat angles P-C4'-P energy: -60.269 tors. eta vs tors. theta energy: -83.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2994.270396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.270396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.270396 (E_RNA) where: Base-Base interactions energy: -2116.407 where: short stacking energy: -905.775 Base-Backbone interact. energy: -4.018 local terms energy: -873.845297 where: bonds (distance) C4'-P energy: -149.685 bonds (distance) P-C4' energy: -160.269 flat angles C4'-P-C4' energy: -183.990 flat angles P-C4'-P energy: -133.108 tors. eta vs tors. theta energy: -246.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2903.810829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.810829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.810829 (E_RNA) where: Base-Base interactions energy: -2062.390 where: short stacking energy: -831.327 Base-Backbone interact. energy: -3.980 local terms energy: -837.440964 where: bonds (distance) C4'-P energy: -158.026 bonds (distance) P-C4' energy: -147.666 flat angles C4'-P-C4' energy: -175.240 flat angles P-C4'-P energy: -135.242 tors. eta vs tors. theta energy: -221.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2819.144309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.144309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.144309 (E_RNA) where: Base-Base interactions energy: -2035.000 where: short stacking energy: -838.796 Base-Backbone interact. energy: -7.482 local terms energy: -776.661788 where: bonds (distance) C4'-P energy: -143.812 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -163.029 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -223.160 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2660.266536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.266536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.266536 (E_RNA) where: Base-Base interactions energy: -1876.604 where: short stacking energy: -778.985 Base-Backbone interact. energy: -3.319 local terms energy: -780.343488 where: bonds (distance) C4'-P energy: -144.457 bonds (distance) P-C4' energy: -164.952 flat angles C4'-P-C4' energy: -159.693 flat angles P-C4'-P energy: -107.968 tors. eta vs tors. theta energy: -203.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2421.045940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.045940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.045940 (E_RNA) where: Base-Base interactions energy: -1755.687 where: short stacking energy: -721.559 Base-Backbone interact. energy: 2.850 local terms energy: -668.208973 where: bonds (distance) C4'-P energy: -138.118 bonds (distance) P-C4' energy: -147.189 flat angles C4'-P-C4' energy: -139.362 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -158.894 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: 260 Temperature: 1.150000 Total energy: -2384.487056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.487056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.487056 (E_RNA) where: Base-Base interactions energy: -1629.770 where: short stacking energy: -705.016 Base-Backbone interact. energy: 0.954 local terms energy: -755.671494 where: bonds (distance) C4'-P energy: -152.746 bonds (distance) P-C4' energy: -155.498 flat angles C4'-P-C4' energy: -153.961 flat angles P-C4'-P energy: -94.414 tors. eta vs tors. theta energy: -199.053 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: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2207.330638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.330638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.330638 (E_RNA) where: Base-Base interactions energy: -1495.486 where: short stacking energy: -653.481 Base-Backbone interact. energy: -0.438 local terms energy: -711.407007 where: bonds (distance) C4'-P energy: -131.894 bonds (distance) P-C4' energy: -160.257 flat angles C4'-P-C4' energy: -151.258 flat angles P-C4'-P energy: -113.833 tors. eta vs tors. theta energy: -154.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1954.650680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.650680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.650680 (E_RNA) where: Base-Base interactions energy: -1343.602 where: short stacking energy: -578.211 Base-Backbone interact. energy: -2.267 local terms energy: -608.781797 where: bonds (distance) C4'-P energy: -133.227 bonds (distance) P-C4' energy: -139.578 flat angles C4'-P-C4' energy: -135.410 flat angles P-C4'-P energy: -64.153 tors. eta vs tors. theta energy: -136.414 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: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1744.846591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.846591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.846591 (E_RNA) where: Base-Base interactions energy: -1196.824 where: short stacking energy: -535.526 Base-Backbone interact. energy: 0.600 local terms energy: -548.622349 where: bonds (distance) C4'-P energy: -100.588 bonds (distance) P-C4' energy: -117.346 flat angles C4'-P-C4' energy: -133.722 flat angles P-C4'-P energy: -94.031 tors. eta vs tors. theta energy: -102.935 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: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1472.004596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.004596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.004596 (E_RNA) where: Base-Base interactions energy: -996.427 where: short stacking energy: -454.291 Base-Backbone interact. energy: 1.967 local terms energy: -477.544523 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -123.419 flat angles P-C4'-P energy: -69.760 tors. eta vs tors. theta energy: -65.245 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: 1, replica: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2999.454089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.454089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.454089 (E_RNA) where: Base-Base interactions energy: -2143.657 where: short stacking energy: -903.459 Base-Backbone interact. energy: -3.731 local terms energy: -852.066489 where: bonds (distance) C4'-P energy: -155.544 bonds (distance) P-C4' energy: -148.649 flat angles C4'-P-C4' energy: -185.878 flat angles P-C4'-P energy: -120.797 tors. eta vs tors. theta energy: -241.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2910.276802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.276802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.276802 (E_RNA) where: Base-Base interactions energy: -2064.976 where: short stacking energy: -859.983 Base-Backbone interact. energy: -3.684 local terms energy: -841.617304 where: bonds (distance) C4'-P energy: -152.966 bonds (distance) P-C4' energy: -151.474 flat angles C4'-P-C4' energy: -183.586 flat angles P-C4'-P energy: -120.438 tors. eta vs tors. theta energy: -233.153 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: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2841.813649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.813649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.813649 (E_RNA) where: Base-Base interactions energy: -2031.117 where: short stacking energy: -841.556 Base-Backbone interact. energy: -4.883 local terms energy: -805.814556 where: bonds (distance) C4'-P energy: -131.325 bonds (distance) P-C4' energy: -146.273 flat angles C4'-P-C4' energy: -175.859 flat angles P-C4'-P energy: -115.565 tors. eta vs tors. theta energy: -236.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2658.417795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.417795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.417795 (E_RNA) where: Base-Base interactions energy: -1906.639 where: short stacking energy: -799.259 Base-Backbone interact. energy: -5.319 local terms energy: -746.459850 where: bonds (distance) C4'-P energy: -137.419 bonds (distance) P-C4' energy: -125.515 flat angles C4'-P-C4' energy: -167.974 flat angles P-C4'-P energy: -108.762 tors. eta vs tors. theta energy: -206.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2404.426921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.426921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.426921 (E_RNA) where: Base-Base interactions energy: -1709.291 where: short stacking energy: -739.065 Base-Backbone interact. energy: -3.016 local terms energy: -692.120393 where: bonds (distance) C4'-P energy: -135.093 bonds (distance) P-C4' energy: -149.977 flat angles C4'-P-C4' energy: -136.816 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -181.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2385.440500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.440500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.440500 (E_RNA) where: Base-Base interactions energy: -1675.055 where: short stacking energy: -728.625 Base-Backbone interact. energy: 1.930 local terms energy: -712.314972 where: bonds (distance) C4'-P energy: -125.471 bonds (distance) P-C4' energy: -129.527 flat angles C4'-P-C4' energy: -154.796 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -211.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2181.925748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.925748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.925748 (E_RNA) where: Base-Base interactions energy: -1542.530 where: short stacking energy: -659.680 Base-Backbone interact. energy: -5.124 local terms energy: -634.271842 where: bonds (distance) C4'-P energy: -122.717 bonds (distance) P-C4' energy: -135.878 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -81.497 tors. eta vs tors. theta energy: -148.693 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: 261 Temperature: 1.250000 Total energy: -1919.171650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.171650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.171650 (E_RNA) where: Base-Base interactions energy: -1334.118 where: short stacking energy: -589.438 Base-Backbone interact. energy: -2.487 local terms energy: -582.566125 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -133.547 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -125.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1784.925162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.925162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.925162 (E_RNA) where: Base-Base interactions energy: -1203.788 where: short stacking energy: -532.856 Base-Backbone interact. energy: -2.941 local terms energy: -578.196357 where: bonds (distance) C4'-P energy: -126.445 bonds (distance) P-C4' energy: -139.192 flat angles C4'-P-C4' energy: -109.192 flat angles P-C4'-P energy: -83.358 tors. eta vs tors. theta energy: -120.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1408.926749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.926749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.926749 (E_RNA) where: Base-Base interactions energy: -897.994 where: short stacking energy: -398.776 Base-Backbone interact. energy: 0.668 local terms energy: -511.601187 where: bonds (distance) C4'-P energy: -128.119 bonds (distance) P-C4' energy: -129.326 flat angles C4'-P-C4' energy: -120.344 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -65.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2950.002332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.002332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.002332 (E_RNA) where: Base-Base interactions energy: -2098.609 where: short stacking energy: -876.148 Base-Backbone interact. energy: -4.261 local terms energy: -847.132101 where: bonds (distance) C4'-P energy: -148.084 bonds (distance) P-C4' energy: -169.251 flat angles C4'-P-C4' energy: -187.255 flat angles P-C4'-P energy: -118.450 tors. eta vs tors. theta energy: -224.092 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: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2953.511613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.511613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.511613 (E_RNA) where: Base-Base interactions energy: -2103.330 where: short stacking energy: -893.149 Base-Backbone interact. energy: -3.356 local terms energy: -846.825824 where: bonds (distance) C4'-P energy: -134.404 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -185.545 flat angles P-C4'-P energy: -125.042 tors. eta vs tors. theta energy: -247.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2841.952026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.952026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.952026 (E_RNA) where: Base-Base interactions energy: -2053.117 where: short stacking energy: -861.358 Base-Backbone interact. energy: -1.736 local terms energy: -787.098709 where: bonds (distance) C4'-P energy: -129.442 bonds (distance) P-C4' energy: -154.523 flat angles C4'-P-C4' energy: -177.764 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -220.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2647.916471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.916471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.916471 (E_RNA) where: Base-Base interactions energy: -1881.202 where: short stacking energy: -784.906 Base-Backbone interact. energy: -7.309 local terms energy: -759.405206 where: bonds (distance) C4'-P energy: -137.957 bonds (distance) P-C4' energy: -155.017 flat angles C4'-P-C4' energy: -158.712 flat angles P-C4'-P energy: -98.421 tors. eta vs tors. theta energy: -209.298 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: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2379.741127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.741127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.741127 (E_RNA) where: Base-Base interactions energy: -1661.457 where: short stacking energy: -697.968 Base-Backbone interact. energy: -3.865 local terms energy: -714.419508 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -135.872 flat angles C4'-P-C4' energy: -154.723 flat angles P-C4'-P energy: -111.852 tors. eta vs tors. theta energy: -169.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2342.867473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.867473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.867473 (E_RNA) where: Base-Base interactions energy: -1584.983 where: short stacking energy: -707.244 Base-Backbone interact. energy: 0.287 local terms energy: -758.171331 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -150.660 flat angles C4'-P-C4' energy: -161.419 flat angles P-C4'-P energy: -111.737 tors. eta vs tors. theta energy: -196.187 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: 262 Temperature: 1.200000 Total energy: -2150.795674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.795674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.795674 (E_RNA) where: Base-Base interactions energy: -1519.447 where: short stacking energy: -653.779 Base-Backbone interact. energy: -4.568 local terms energy: -626.780574 where: bonds (distance) C4'-P energy: -107.345 bonds (distance) P-C4' energy: -128.490 flat angles C4'-P-C4' energy: -146.573 flat angles P-C4'-P energy: -94.616 tors. eta vs tors. theta energy: -149.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1931.998374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.998374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.998374 (E_RNA) where: Base-Base interactions energy: -1368.187 where: short stacking energy: -570.152 Base-Backbone interact. energy: 0.991 local terms energy: -564.802081 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -118.707 flat angles C4'-P-C4' energy: -134.780 flat angles P-C4'-P energy: -104.484 tors. eta vs tors. theta energy: -96.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1741.558527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.558527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.558527 (E_RNA) where: Base-Base interactions energy: -1136.351 where: short stacking energy: -519.366 Base-Backbone interact. energy: -3.450 local terms energy: -601.757006 where: bonds (distance) C4'-P energy: -116.750 bonds (distance) P-C4' energy: -143.611 flat angles C4'-P-C4' energy: -137.014 flat angles P-C4'-P energy: -93.126 tors. eta vs tors. theta energy: -111.257 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: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1452.501914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.501914 (E_RNA) where: Base-Base interactions energy: -960.017 where: short stacking energy: -459.240 Base-Backbone interact. energy: 5.738 local terms energy: -498.222577 where: bonds (distance) C4'-P energy: -115.519 bonds (distance) P-C4' energy: -135.557 flat angles C4'-P-C4' energy: -108.075 flat angles P-C4'-P energy: -70.606 tors. eta vs tors. theta energy: -68.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2977.581823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.581823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.581823 (E_RNA) where: Base-Base interactions energy: -2121.186 where: short stacking energy: -876.924 Base-Backbone interact. energy: -4.116 local terms energy: -852.279291 where: bonds (distance) C4'-P energy: -158.616 bonds (distance) P-C4' energy: -160.151 flat angles C4'-P-C4' energy: -181.485 flat angles P-C4'-P energy: -127.306 tors. eta vs tors. theta energy: -224.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2931.397445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.397445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.397445 (E_RNA) where: Base-Base interactions energy: -2090.312 where: short stacking energy: -883.184 Base-Backbone interact. energy: -1.498 local terms energy: -839.588052 where: bonds (distance) C4'-P energy: -152.564 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -178.499 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -241.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2896.051211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.051211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.051211 (E_RNA) where: Base-Base interactions energy: -2083.001 where: short stacking energy: -850.873 Base-Backbone interact. energy: -3.237 local terms energy: -809.812641 where: bonds (distance) C4'-P energy: -135.993 bonds (distance) P-C4' energy: -161.003 flat angles C4'-P-C4' energy: -177.356 flat angles P-C4'-P energy: -112.485 tors. eta vs tors. theta energy: -222.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2679.693169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.693169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.693169 (E_RNA) where: Base-Base interactions energy: -1920.816 where: short stacking energy: -793.486 Base-Backbone interact. energy: -2.102 local terms energy: -756.775210 where: bonds (distance) C4'-P energy: -142.502 bonds (distance) P-C4' energy: -143.525 flat angles C4'-P-C4' energy: -167.460 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -209.225 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: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2423.997122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.997122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.997122 (E_RNA) where: Base-Base interactions energy: -1718.026 where: short stacking energy: -722.685 Base-Backbone interact. energy: -0.206 local terms energy: -705.765549 where: bonds (distance) C4'-P energy: -143.778 bonds (distance) P-C4' energy: -120.921 flat angles C4'-P-C4' energy: -155.097 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -178.839 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: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2360.944647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.944647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.944647 (E_RNA) where: Base-Base interactions energy: -1653.130 where: short stacking energy: -724.287 Base-Backbone interact. energy: -1.679 local terms energy: -706.135555 where: bonds (distance) C4'-P energy: -107.266 bonds (distance) P-C4' energy: -133.031 flat angles C4'-P-C4' energy: -162.272 flat angles P-C4'-P energy: -105.717 tors. eta vs tors. theta energy: -197.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2167.533027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.533027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.533027 (E_RNA) where: Base-Base interactions energy: -1518.152 where: short stacking energy: -662.775 Base-Backbone interact. energy: -2.919 local terms energy: -646.461863 where: bonds (distance) C4'-P energy: -116.781 bonds (distance) P-C4' energy: -120.564 flat angles C4'-P-C4' energy: -130.515 flat angles P-C4'-P energy: -109.354 tors. eta vs tors. theta energy: -169.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1982.534532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.534532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.534532 (E_RNA) where: Base-Base interactions energy: -1357.739 where: short stacking energy: -552.713 Base-Backbone interact. energy: -3.734 local terms energy: -621.061817 where: bonds (distance) C4'-P energy: -130.763 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -111.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1758.303783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.303783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.303783 (E_RNA) where: Base-Base interactions energy: -1177.798 where: short stacking energy: -517.680 Base-Backbone interact. energy: 1.191 local terms energy: -581.696915 where: bonds (distance) C4'-P energy: -122.523 bonds (distance) P-C4' energy: -126.251 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -81.342 tors. eta vs tors. theta energy: -109.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1406.311675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.311675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.311675 (E_RNA) where: Base-Base interactions energy: -943.768 where: short stacking energy: -432.763 Base-Backbone interact. energy: 4.241 local terms energy: -466.785197 where: bonds (distance) C4'-P energy: -106.927 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -125.519 flat angles P-C4'-P energy: -51.981 tors. eta vs tors. theta energy: -45.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2985.560493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.560493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.560493 (E_RNA) where: Base-Base interactions energy: -2126.761 where: short stacking energy: -889.418 Base-Backbone interact. energy: -3.414 local terms energy: -855.385243 where: bonds (distance) C4'-P energy: -157.521 bonds (distance) P-C4' energy: -156.500 flat angles C4'-P-C4' energy: -181.424 flat angles P-C4'-P energy: -114.410 tors. eta vs tors. theta energy: -245.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2901.096793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.096793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.096793 (E_RNA) where: Base-Base interactions energy: -2049.418 where: short stacking energy: -858.581 Base-Backbone interact. energy: -3.210 local terms energy: -848.468831 where: bonds (distance) C4'-P energy: -156.952 bonds (distance) P-C4' energy: -161.749 flat angles C4'-P-C4' energy: -178.229 flat angles P-C4'-P energy: -133.680 tors. eta vs tors. theta energy: -217.859 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2890.901956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.901956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.901956 (E_RNA) where: Base-Base interactions energy: -2060.713 where: short stacking energy: -850.235 Base-Backbone interact. energy: -3.563 local terms energy: -826.625725 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -150.502 flat angles C4'-P-C4' energy: -185.862 flat angles P-C4'-P energy: -107.664 tors. eta vs tors. theta energy: -238.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2651.960661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.960661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.960661 (E_RNA) where: Base-Base interactions energy: -1892.720 where: short stacking energy: -769.905 Base-Backbone interact. energy: -6.709 local terms energy: -752.532164 where: bonds (distance) C4'-P energy: -136.409 bonds (distance) P-C4' energy: -157.354 flat angles C4'-P-C4' energy: -161.992 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -193.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2432.388670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.388670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.388670 (E_RNA) where: Base-Base interactions energy: -1698.019 where: short stacking energy: -700.271 Base-Backbone interact. energy: -2.695 local terms energy: -731.675030 where: bonds (distance) C4'-P energy: -138.148 bonds (distance) P-C4' energy: -154.047 flat angles C4'-P-C4' energy: -150.771 flat angles P-C4'-P energy: -107.501 tors. eta vs tors. theta energy: -181.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2384.935018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.935018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.935018 (E_RNA) where: Base-Base interactions energy: -1660.481 where: short stacking energy: -714.080 Base-Backbone interact. energy: -2.652 local terms energy: -721.802755 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -136.770 flat angles C4'-P-C4' energy: -166.445 flat angles P-C4'-P energy: -96.012 tors. eta vs tors. theta energy: -193.352 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: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2215.434039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.434039 (E_RNA) where: Base-Base interactions energy: -1516.061 where: short stacking energy: -659.330 Base-Backbone interact. energy: -0.318 local terms energy: -699.055367 where: bonds (distance) C4'-P energy: -149.620 bonds (distance) P-C4' energy: -147.813 flat angles C4'-P-C4' energy: -147.177 flat angles P-C4'-P energy: -92.412 tors. eta vs tors. theta energy: -162.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1946.345908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.345908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.345908 (E_RNA) where: Base-Base interactions energy: -1341.600 where: short stacking energy: -543.060 Base-Backbone interact. energy: -2.256 local terms energy: -602.490088 where: bonds (distance) C4'-P energy: -118.605 bonds (distance) P-C4' energy: -120.838 flat angles C4'-P-C4' energy: -147.361 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -114.544 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: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1804.821406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.821406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.821406 (E_RNA) where: Base-Base interactions energy: -1192.198 where: short stacking energy: -571.091 Base-Backbone interact. energy: -1.548 local terms energy: -611.075706 where: bonds (distance) C4'-P energy: -127.110 bonds (distance) P-C4' energy: -135.771 flat angles C4'-P-C4' energy: -148.753 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -104.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1471.482656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.482656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.482656 (E_RNA) where: Base-Base interactions energy: -964.670 where: short stacking energy: -452.610 Base-Backbone interact. energy: -3.485 local terms energy: -503.327567 where: bonds (distance) C4'-P energy: -104.485 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -128.073 flat angles P-C4'-P energy: -78.051 tors. eta vs tors. theta energy: -64.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2984.729349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.729349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.729349 (E_RNA) where: Base-Base interactions energy: -2127.445 where: short stacking energy: -902.167 Base-Backbone interact. energy: -4.662 local terms energy: -852.621645 where: bonds (distance) C4'-P energy: -139.264 bonds (distance) P-C4' energy: -166.200 flat angles C4'-P-C4' energy: -186.992 flat angles P-C4'-P energy: -111.516 tors. eta vs tors. theta energy: -248.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2935.670217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.670217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.670217 (E_RNA) where: Base-Base interactions energy: -2098.326 where: short stacking energy: -889.601 Base-Backbone interact. energy: -5.650 local terms energy: -831.694169 where: bonds (distance) C4'-P energy: -152.051 bonds (distance) P-C4' energy: -142.012 flat angles C4'-P-C4' energy: -178.448 flat angles P-C4'-P energy: -124.859 tors. eta vs tors. theta energy: -234.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2849.255953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.255953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.255953 (E_RNA) where: Base-Base interactions energy: -2040.957 where: short stacking energy: -851.875 Base-Backbone interact. energy: -4.620 local terms energy: -803.678879 where: bonds (distance) C4'-P energy: -160.695 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -121.033 tors. eta vs tors. theta energy: -213.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2654.130768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.130768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.130768 (E_RNA) where: Base-Base interactions energy: -1904.799 where: short stacking energy: -807.074 Base-Backbone interact. energy: 4.092 local terms energy: -753.423699 where: bonds (distance) C4'-P energy: -129.681 bonds (distance) P-C4' energy: -152.668 flat angles C4'-P-C4' energy: -154.138 flat angles P-C4'-P energy: -111.637 tors. eta vs tors. theta energy: -205.300 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: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2422.920864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.920864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.920864 (E_RNA) where: Base-Base interactions energy: -1706.811 where: short stacking energy: -697.259 Base-Backbone interact. energy: -3.143 local terms energy: -712.967329 where: bonds (distance) C4'-P energy: -126.716 bonds (distance) P-C4' energy: -132.261 flat angles C4'-P-C4' energy: -154.051 flat angles P-C4'-P energy: -110.883 tors. eta vs tors. theta energy: -189.057 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: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2407.423276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.423276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.423276 (E_RNA) where: Base-Base interactions energy: -1660.230 where: short stacking energy: -704.044 Base-Backbone interact. energy: -3.129 local terms energy: -744.064008 where: bonds (distance) C4'-P energy: -146.983 bonds (distance) P-C4' energy: -146.874 flat angles C4'-P-C4' energy: -169.167 flat angles P-C4'-P energy: -104.364 tors. eta vs tors. theta energy: -176.676 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: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2224.553576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.553576 (E_RNA) where: Base-Base interactions energy: -1575.769 where: short stacking energy: -642.146 Base-Backbone interact. energy: -2.498 local terms energy: -646.287013 where: bonds (distance) C4'-P energy: -138.513 bonds (distance) P-C4' energy: -143.371 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -84.093 tors. eta vs tors. theta energy: -144.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1916.603304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.603304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.603304 (E_RNA) where: Base-Base interactions energy: -1286.135 where: short stacking energy: -547.505 Base-Backbone interact. energy: -2.443 local terms energy: -628.025591 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -147.235 flat angles C4'-P-C4' energy: -150.587 flat angles P-C4'-P energy: -81.622 tors. eta vs tors. theta energy: -120.406 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: 265 Temperature: 1.300000 Total energy: -1822.380277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.380277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.380277 (E_RNA) where: Base-Base interactions energy: -1235.208 where: short stacking energy: -556.126 Base-Backbone interact. energy: 2.594 local terms energy: -589.766391 where: bonds (distance) C4'-P energy: -129.690 bonds (distance) P-C4' energy: -133.206 flat angles C4'-P-C4' energy: -130.578 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -116.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1577.494086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.494086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.494086 (E_RNA) where: Base-Base interactions energy: -1035.362 where: short stacking energy: -466.929 Base-Backbone interact. energy: 5.248 local terms energy: -547.379957 where: bonds (distance) C4'-P energy: -144.403 bonds (distance) P-C4' energy: -130.770 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: -78.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2996.458284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.458284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.458284 (E_RNA) where: Base-Base interactions energy: -2109.031 where: short stacking energy: -896.014 Base-Backbone interact. energy: -4.537 local terms energy: -882.890143 where: bonds (distance) C4'-P energy: -158.824 bonds (distance) P-C4' energy: -166.211 flat angles C4'-P-C4' energy: -187.300 flat angles P-C4'-P energy: -130.434 tors. eta vs tors. theta energy: -240.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2894.391575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.391575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.391575 (E_RNA) where: Base-Base interactions energy: -2072.061 where: short stacking energy: -886.919 Base-Backbone interact. energy: -4.680 local terms energy: -817.649872 where: bonds (distance) C4'-P energy: -154.966 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -176.264 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -239.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2834.941790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.941790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.941790 (E_RNA) where: Base-Base interactions energy: -2022.589 where: short stacking energy: -834.450 Base-Backbone interact. energy: -8.618 local terms energy: -803.734988 where: bonds (distance) C4'-P energy: -147.058 bonds (distance) P-C4' energy: -152.405 flat angles C4'-P-C4' energy: -164.101 flat angles P-C4'-P energy: -126.492 tors. eta vs tors. theta energy: -213.679 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: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2668.206972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.206972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.206972 (E_RNA) where: Base-Base interactions energy: -1881.623 where: short stacking energy: -795.519 Base-Backbone interact. energy: -6.807 local terms energy: -779.777003 where: bonds (distance) C4'-P energy: -151.904 bonds (distance) P-C4' energy: -145.310 flat angles C4'-P-C4' energy: -164.828 flat angles P-C4'-P energy: -108.409 tors. eta vs tors. theta energy: -209.327 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2433.859527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.859527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.859527 (E_RNA) where: Base-Base interactions energy: -1734.061 where: short stacking energy: -727.894 Base-Backbone interact. energy: -1.621 local terms energy: -698.177807 where: bonds (distance) C4'-P energy: -124.654 bonds (distance) P-C4' energy: -151.892 flat angles C4'-P-C4' energy: -154.868 flat angles P-C4'-P energy: -98.834 tors. eta vs tors. theta energy: -167.930 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: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2392.150001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.150001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.150001 (E_RNA) where: Base-Base interactions energy: -1645.817 where: short stacking energy: -695.487 Base-Backbone interact. energy: 0.102 local terms energy: -746.435295 where: bonds (distance) C4'-P energy: -136.323 bonds (distance) P-C4' energy: -151.993 flat angles C4'-P-C4' energy: -151.063 flat angles P-C4'-P energy: -104.350 tors. eta vs tors. theta energy: -202.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2238.573275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.573275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.573275 (E_RNA) where: Base-Base interactions energy: -1632.873 where: short stacking energy: -628.975 Base-Backbone interact. energy: -1.457 local terms energy: -604.244035 where: bonds (distance) C4'-P energy: -116.915 bonds (distance) P-C4' energy: -111.723 flat angles C4'-P-C4' energy: -136.443 flat angles P-C4'-P energy: -87.700 tors. eta vs tors. theta energy: -151.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2006.395218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.395218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.395218 (E_RNA) where: Base-Base interactions energy: -1399.560 where: short stacking energy: -583.805 Base-Backbone interact. energy: 0.857 local terms energy: -607.692564 where: bonds (distance) C4'-P energy: -130.721 bonds (distance) P-C4' energy: -98.177 flat angles C4'-P-C4' energy: -137.874 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -143.613 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: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1760.232167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.232167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.232167 (E_RNA) where: Base-Base interactions energy: -1180.075 where: short stacking energy: -547.967 Base-Backbone interact. energy: 0.056 local terms energy: -580.212571 where: bonds (distance) C4'-P energy: -122.589 bonds (distance) P-C4' energy: -120.467 flat angles C4'-P-C4' energy: -135.956 flat angles P-C4'-P energy: -95.905 tors. eta vs tors. theta energy: -105.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1655.867733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.867733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.867733 (E_RNA) where: Base-Base interactions energy: -1134.856 where: short stacking energy: -520.688 Base-Backbone interact. energy: -0.912 local terms energy: -520.099730 where: bonds (distance) C4'-P energy: -103.084 bonds (distance) P-C4' energy: -132.572 flat angles C4'-P-C4' energy: -136.946 flat angles P-C4'-P energy: -72.819 tors. eta vs tors. theta energy: -74.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2974.526159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.526159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.526159 (E_RNA) where: Base-Base interactions energy: -2101.440 where: short stacking energy: -905.160 Base-Backbone interact. energy: -1.437 local terms energy: -871.649196 where: bonds (distance) C4'-P energy: -158.744 bonds (distance) P-C4' energy: -159.469 flat angles C4'-P-C4' energy: -190.574 flat angles P-C4'-P energy: -116.875 tors. eta vs tors. theta energy: -245.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2902.299216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.299216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.299216 (E_RNA) where: Base-Base interactions energy: -2065.503 where: short stacking energy: -860.986 Base-Backbone interact. energy: -4.328 local terms energy: -832.468522 where: bonds (distance) C4'-P energy: -163.577 bonds (distance) P-C4' energy: -148.300 flat angles C4'-P-C4' energy: -178.619 flat angles P-C4'-P energy: -120.782 tors. eta vs tors. theta energy: -221.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2865.573841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.573841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.573841 (E_RNA) where: Base-Base interactions energy: -2033.839 where: short stacking energy: -840.649 Base-Backbone interact. energy: -2.084 local terms energy: -829.650729 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -162.835 flat angles C4'-P-C4' energy: -181.315 flat angles P-C4'-P energy: -114.580 tors. eta vs tors. theta energy: -224.306 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: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2644.274212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.274212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.274212 (E_RNA) where: Base-Base interactions energy: -1883.410 where: short stacking energy: -795.156 Base-Backbone interact. energy: -1.047 local terms energy: -759.817171 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -153.795 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -220.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2437.489660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.489660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.489660 (E_RNA) where: Base-Base interactions energy: -1701.632 where: short stacking energy: -699.589 Base-Backbone interact. energy: 1.174 local terms energy: -737.032137 where: bonds (distance) C4'-P energy: -142.257 bonds (distance) P-C4' energy: -152.024 flat angles C4'-P-C4' energy: -166.145 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -178.960 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: 267 Temperature: 1.150000 Total energy: -2363.634049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.634049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.634049 (E_RNA) where: Base-Base interactions energy: -1642.264 where: short stacking energy: -719.851 Base-Backbone interact. energy: -3.575 local terms energy: -717.794468 where: bonds (distance) C4'-P energy: -140.850 bonds (distance) P-C4' energy: -136.979 flat angles C4'-P-C4' energy: -154.040 flat angles P-C4'-P energy: -88.305 tors. eta vs tors. theta energy: -197.620 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: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2242.336933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.336933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.336933 (E_RNA) where: Base-Base interactions energy: -1575.208 where: short stacking energy: -693.019 Base-Backbone interact. energy: 1.889 local terms energy: -669.017673 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -141.385 flat angles C4'-P-C4' energy: -139.789 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -163.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1959.052166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.052166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.052166 (E_RNA) where: Base-Base interactions energy: -1356.773 where: short stacking energy: -591.007 Base-Backbone interact. energy: -1.195 local terms energy: -601.083383 where: bonds (distance) C4'-P energy: -115.032 bonds (distance) P-C4' energy: -129.985 flat angles C4'-P-C4' energy: -143.167 flat angles P-C4'-P energy: -84.196 tors. eta vs tors. theta energy: -128.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1733.574550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.574550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.574550 (E_RNA) where: Base-Base interactions energy: -1153.231 where: short stacking energy: -534.559 Base-Backbone interact. energy: -1.776 local terms energy: -578.567825 where: bonds (distance) C4'-P energy: -125.389 bonds (distance) P-C4' energy: -117.190 flat angles C4'-P-C4' energy: -127.749 flat angles P-C4'-P energy: -93.936 tors. eta vs tors. theta energy: -114.305 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1602.537216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.537216 (E_RNA) where: Base-Base interactions energy: -1085.251 where: short stacking energy: -471.492 Base-Backbone interact. energy: -1.210 local terms energy: -516.076253 where: bonds (distance) C4'-P energy: -119.983 bonds (distance) P-C4' energy: -145.777 flat angles C4'-P-C4' energy: -137.335 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -59.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2958.479458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.479458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.479458 (E_RNA) where: Base-Base interactions energy: -2066.526 where: short stacking energy: -887.620 Base-Backbone interact. energy: -3.040 local terms energy: -888.913693 where: bonds (distance) C4'-P energy: -170.969 bonds (distance) P-C4' energy: -164.087 flat angles C4'-P-C4' energy: -187.380 flat angles P-C4'-P energy: -121.113 tors. eta vs tors. theta energy: -245.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2943.870511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.870511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.870511 (E_RNA) where: Base-Base interactions energy: -2081.653 where: short stacking energy: -843.902 Base-Backbone interact. energy: -7.307 local terms energy: -854.910715 where: bonds (distance) C4'-P energy: -157.352 bonds (distance) P-C4' energy: -150.647 flat angles C4'-P-C4' energy: -187.713 flat angles P-C4'-P energy: -119.733 tors. eta vs tors. theta energy: -239.466 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: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2897.966167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.966167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.966167 (E_RNA) where: Base-Base interactions energy: -2062.276 where: short stacking energy: -876.177 Base-Backbone interact. energy: 1.656 local terms energy: -837.346727 where: bonds (distance) C4'-P energy: -146.333 bonds (distance) P-C4' energy: -152.556 flat angles C4'-P-C4' energy: -183.656 flat angles P-C4'-P energy: -124.028 tors. eta vs tors. theta energy: -230.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2654.463169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.463169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.463169 (E_RNA) where: Base-Base interactions energy: -1866.568 where: short stacking energy: -781.853 Base-Backbone interact. energy: 1.949 local terms energy: -789.844722 where: bonds (distance) C4'-P energy: -150.340 bonds (distance) P-C4' energy: -138.783 flat angles C4'-P-C4' energy: -181.312 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -209.412 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2465.316885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.316885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.316885 (E_RNA) where: Base-Base interactions energy: -1726.846 where: short stacking energy: -703.512 Base-Backbone interact. energy: 2.512 local terms energy: -740.982487 where: bonds (distance) C4'-P energy: -144.284 bonds (distance) P-C4' energy: -146.616 flat angles C4'-P-C4' energy: -161.920 flat angles P-C4'-P energy: -103.423 tors. eta vs tors. theta energy: -184.739 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: 268 Temperature: 1.150000 Total energy: -2328.046408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.046408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.046408 (E_RNA) where: Base-Base interactions energy: -1587.438 where: short stacking energy: -700.633 Base-Backbone interact. energy: 2.557 local terms energy: -743.164826 where: bonds (distance) C4'-P energy: -130.919 bonds (distance) P-C4' energy: -145.649 flat angles C4'-P-C4' energy: -158.577 flat angles P-C4'-P energy: -112.984 tors. eta vs tors. theta energy: -195.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2220.964957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.964957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.964957 (E_RNA) where: Base-Base interactions energy: -1551.711 where: short stacking energy: -658.120 Base-Backbone interact. energy: -3.821 local terms energy: -665.432886 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -135.051 flat angles C4'-P-C4' energy: -161.287 flat angles P-C4'-P energy: -85.053 tors. eta vs tors. theta energy: -154.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1973.884565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.884565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.884565 (E_RNA) where: Base-Base interactions energy: -1369.769 where: short stacking energy: -560.041 Base-Backbone interact. energy: 0.610 local terms energy: -604.725672 where: bonds (distance) C4'-P energy: -123.213 bonds (distance) P-C4' energy: -135.542 flat angles C4'-P-C4' energy: -138.940 flat angles P-C4'-P energy: -77.720 tors. eta vs tors. theta energy: -129.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1697.173850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.173850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.173850 (E_RNA) where: Base-Base interactions energy: -1115.735 where: short stacking energy: -518.994 Base-Backbone interact. energy: 5.156 local terms energy: -586.595048 where: bonds (distance) C4'-P energy: -132.100 bonds (distance) P-C4' energy: -130.842 flat angles C4'-P-C4' energy: -117.408 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -106.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1584.020015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.020015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.020015 (E_RNA) where: Base-Base interactions energy: -1075.481 where: short stacking energy: -463.382 Base-Backbone interact. energy: 2.256 local terms energy: -510.795030 where: bonds (distance) C4'-P energy: -112.315 bonds (distance) P-C4' energy: -136.636 flat angles C4'-P-C4' energy: -117.699 flat angles P-C4'-P energy: -64.846 tors. eta vs tors. theta energy: -79.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2977.767104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.767104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.767104 (E_RNA) where: Base-Base interactions energy: -2108.749 where: short stacking energy: -905.573 Base-Backbone interact. energy: -3.948 local terms energy: -865.070169 where: bonds (distance) C4'-P energy: -146.963 bonds (distance) P-C4' energy: -167.888 flat angles C4'-P-C4' energy: -186.018 flat angles P-C4'-P energy: -130.194 tors. eta vs tors. theta energy: -234.008 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: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2938.270097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.270097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.270097 (E_RNA) where: Base-Base interactions energy: -2102.565 where: short stacking energy: -872.790 Base-Backbone interact. energy: -2.242 local terms energy: -833.463154 where: bonds (distance) C4'-P energy: -139.598 bonds (distance) P-C4' energy: -144.287 flat angles C4'-P-C4' energy: -187.783 flat angles P-C4'-P energy: -133.476 tors. eta vs tors. theta energy: -228.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2865.440879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.440879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.440879 (E_RNA) where: Base-Base interactions energy: -2055.139 where: short stacking energy: -856.469 Base-Backbone interact. energy: -0.055 local terms energy: -810.247164 where: bonds (distance) C4'-P energy: -152.540 bonds (distance) P-C4' energy: -141.346 flat angles C4'-P-C4' energy: -170.088 flat angles P-C4'-P energy: -120.540 tors. eta vs tors. theta energy: -225.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2675.330453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.330453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.330453 (E_RNA) where: Base-Base interactions energy: -1861.461 where: short stacking energy: -802.309 Base-Backbone interact. energy: -2.288 local terms energy: -811.581586 where: bonds (distance) C4'-P energy: -154.625 bonds (distance) P-C4' energy: -152.602 flat angles C4'-P-C4' energy: -159.710 flat angles P-C4'-P energy: -126.026 tors. eta vs tors. theta energy: -218.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2456.482679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.482679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.482679 (E_RNA) where: Base-Base interactions energy: -1733.881 where: short stacking energy: -727.650 Base-Backbone interact. energy: 3.750 local terms energy: -726.351774 where: bonds (distance) C4'-P energy: -147.506 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -163.440 flat angles P-C4'-P energy: -94.630 tors. eta vs tors. theta energy: -191.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2387.261555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.261555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.261555 (E_RNA) where: Base-Base interactions energy: -1662.123 where: short stacking energy: -721.535 Base-Backbone interact. energy: 5.835 local terms energy: -730.973548 where: bonds (distance) C4'-P energy: -132.847 bonds (distance) P-C4' energy: -151.121 flat angles C4'-P-C4' energy: -147.904 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -198.995 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: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2194.601521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.601521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.601521 (E_RNA) where: Base-Base interactions energy: -1546.663 where: short stacking energy: -685.029 Base-Backbone interact. energy: 2.680 local terms energy: -650.618464 where: bonds (distance) C4'-P energy: -108.824 bonds (distance) P-C4' energy: -129.500 flat angles C4'-P-C4' energy: -156.111 flat angles P-C4'-P energy: -102.986 tors. eta vs tors. theta energy: -153.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1980.834132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.834132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.834132 (E_RNA) where: Base-Base interactions energy: -1349.997 where: short stacking energy: -569.461 Base-Backbone interact. energy: -4.417 local terms energy: -626.420587 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -144.166 flat angles C4'-P-C4' energy: -142.271 flat angles P-C4'-P energy: -89.103 tors. eta vs tors. theta energy: -136.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1749.029237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.029237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.029237 (E_RNA) where: Base-Base interactions energy: -1201.460 where: short stacking energy: -527.917 Base-Backbone interact. energy: 2.743 local terms energy: -550.311618 where: bonds (distance) C4'-P energy: -126.042 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -78.302 tors. eta vs tors. theta energy: -91.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1528.359983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.359983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.359983 (E_RNA) where: Base-Base interactions energy: -981.379 where: short stacking energy: -448.798 Base-Backbone interact. energy: 4.336 local terms energy: -551.317408 where: bonds (distance) C4'-P energy: -140.519 bonds (distance) P-C4' energy: -134.952 flat angles C4'-P-C4' energy: -128.030 flat angles P-C4'-P energy: -86.487 tors. eta vs tors. theta energy: -61.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2986.810396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.810396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.810396 (E_RNA) where: Base-Base interactions energy: -2130.304 where: short stacking energy: -892.661 Base-Backbone interact. energy: -2.260 local terms energy: -854.246463 where: bonds (distance) C4'-P energy: -150.408 bonds (distance) P-C4' energy: -158.780 flat angles C4'-P-C4' energy: -186.745 flat angles P-C4'-P energy: -122.868 tors. eta vs tors. theta energy: -235.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2929.107346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.107346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.107346 (E_RNA) where: Base-Base interactions energy: -2087.334 where: short stacking energy: -869.645 Base-Backbone interact. energy: -4.818 local terms energy: -836.955544 where: bonds (distance) C4'-P energy: -158.868 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -184.368 flat angles P-C4'-P energy: -119.001 tors. eta vs tors. theta energy: -235.683 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: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2805.382188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.382188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.382188 (E_RNA) where: Base-Base interactions energy: -2004.272 where: short stacking energy: -832.441 Base-Backbone interact. energy: -2.319 local terms energy: -798.791330 where: bonds (distance) C4'-P energy: -143.700 bonds (distance) P-C4' energy: -154.706 flat angles C4'-P-C4' energy: -170.485 flat angles P-C4'-P energy: -109.906 tors. eta vs tors. theta energy: -219.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2681.330914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.330914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.330914 (E_RNA) where: Base-Base interactions energy: -1886.826 where: short stacking energy: -820.635 Base-Backbone interact. energy: -5.544 local terms energy: -788.961214 where: bonds (distance) C4'-P energy: -155.991 bonds (distance) P-C4' energy: -146.012 flat angles C4'-P-C4' energy: -162.707 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -221.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2445.520848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.520848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.520848 (E_RNA) where: Base-Base interactions energy: -1688.470 where: short stacking energy: -775.909 Base-Backbone interact. energy: -0.350 local terms energy: -756.701127 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -149.475 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -207.253 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: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2355.782887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.782887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.782887 (E_RNA) where: Base-Base interactions energy: -1672.890 where: short stacking energy: -683.735 Base-Backbone interact. energy: 0.339 local terms energy: -683.231981 where: bonds (distance) C4'-P energy: -124.697 bonds (distance) P-C4' energy: -144.782 flat angles C4'-P-C4' energy: -156.505 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -161.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2177.550276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.550276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.550276 (E_RNA) where: Base-Base interactions energy: -1521.222 where: short stacking energy: -629.886 Base-Backbone interact. energy: -1.364 local terms energy: -654.965117 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -136.689 flat angles C4'-P-C4' energy: -153.626 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -137.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1948.234445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.234445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.234445 (E_RNA) where: Base-Base interactions energy: -1345.174 where: short stacking energy: -569.382 Base-Backbone interact. energy: 1.892 local terms energy: -604.952685 where: bonds (distance) C4'-P energy: -112.430 bonds (distance) P-C4' energy: -152.429 flat angles C4'-P-C4' energy: -145.223 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -118.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1647.910261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.910261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.910261 (E_RNA) where: Base-Base interactions energy: -1148.578 where: short stacking energy: -502.145 Base-Backbone interact. energy: 3.929 local terms energy: -503.261042 where: bonds (distance) C4'-P energy: -123.345 bonds (distance) P-C4' energy: -105.359 flat angles C4'-P-C4' energy: -125.125 flat angles P-C4'-P energy: -72.661 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: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1666.010223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.010223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.010223 (E_RNA) where: Base-Base interactions energy: -1163.774 where: short stacking energy: -466.550 Base-Backbone interact. energy: 0.259 local terms energy: -502.495834 where: bonds (distance) C4'-P energy: -97.112 bonds (distance) P-C4' energy: -129.827 flat angles C4'-P-C4' energy: -117.198 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -83.524 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: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2980.437545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.437545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.437545 (E_RNA) where: Base-Base interactions energy: -2127.941 where: short stacking energy: -886.126 Base-Backbone interact. energy: 3.310 local terms energy: -855.807060 where: bonds (distance) C4'-P energy: -167.800 bonds (distance) P-C4' energy: -168.682 flat angles C4'-P-C4' energy: -175.386 flat angles P-C4'-P energy: -112.845 tors. eta vs tors. theta energy: -231.094 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: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2927.847943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.847943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.847943 (E_RNA) where: Base-Base interactions energy: -2076.372 where: short stacking energy: -834.422 Base-Backbone interact. energy: -7.765 local terms energy: -843.711375 where: bonds (distance) C4'-P energy: -147.321 bonds (distance) P-C4' energy: -159.736 flat angles C4'-P-C4' energy: -179.216 flat angles P-C4'-P energy: -126.074 tors. eta vs tors. theta energy: -231.365 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: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2786.724862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.724862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.724862 (E_RNA) where: Base-Base interactions energy: -1986.259 where: short stacking energy: -809.135 Base-Backbone interact. energy: 1.888 local terms energy: -802.353778 where: bonds (distance) C4'-P energy: -157.359 bonds (distance) P-C4' energy: -143.785 flat angles C4'-P-C4' energy: -166.744 flat angles P-C4'-P energy: -114.834 tors. eta vs tors. theta energy: -219.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2695.821595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.821595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.821595 (E_RNA) where: Base-Base interactions energy: -1904.804 where: short stacking energy: -803.506 Base-Backbone interact. energy: -3.858 local terms energy: -787.160014 where: bonds (distance) C4'-P energy: -160.444 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -165.533 flat angles P-C4'-P energy: -112.782 tors. eta vs tors. theta energy: -202.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2468.138621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.138621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.138621 (E_RNA) where: Base-Base interactions energy: -1729.005 where: short stacking energy: -759.311 Base-Backbone interact. energy: 0.276 local terms energy: -739.410205 where: bonds (distance) C4'-P energy: -142.189 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -169.168 flat angles P-C4'-P energy: -109.505 tors. eta vs tors. theta energy: -187.000 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: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2270.802850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.802850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.802850 (E_RNA) where: Base-Base interactions energy: -1590.598 where: short stacking energy: -642.208 Base-Backbone interact. energy: -0.990 local terms energy: -679.215240 where: bonds (distance) C4'-P energy: -141.137 bonds (distance) P-C4' energy: -135.625 flat angles C4'-P-C4' energy: -155.020 flat angles P-C4'-P energy: -108.502 tors. eta vs tors. theta energy: -138.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2194.761142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.761142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.761142 (E_RNA) where: Base-Base interactions energy: -1572.926 where: short stacking energy: -636.058 Base-Backbone interact. energy: 1.777 local terms energy: -623.612226 where: bonds (distance) C4'-P energy: -118.790 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -143.107 flat angles P-C4'-P energy: -88.527 tors. eta vs tors. theta energy: -152.181 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: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1988.678266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.678266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.678266 (E_RNA) where: Base-Base interactions energy: -1384.716 where: short stacking energy: -587.090 Base-Backbone interact. energy: -1.153 local terms energy: -602.809468 where: bonds (distance) C4'-P energy: -117.817 bonds (distance) P-C4' energy: -126.847 flat angles C4'-P-C4' energy: -144.611 flat angles P-C4'-P energy: -94.038 tors. eta vs tors. theta energy: -119.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1628.745854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.745854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.745854 (E_RNA) where: Base-Base interactions energy: -1062.384 where: short stacking energy: -487.821 Base-Backbone interact. energy: 1.527 local terms energy: -567.888028 where: bonds (distance) C4'-P energy: -141.448 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -149.304 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: -81.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1628.862582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.862582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.862582 (E_RNA) where: Base-Base interactions energy: -1106.860 where: short stacking energy: -460.497 Base-Backbone interact. energy: 2.905 local terms energy: -524.906733 where: bonds (distance) C4'-P energy: -145.638 bonds (distance) P-C4' energy: -120.103 flat angles C4'-P-C4' energy: -105.133 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -87.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2999.270554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.270554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.270554 (E_RNA) where: Base-Base interactions energy: -2144.334 where: short stacking energy: -901.907 Base-Backbone interact. energy: -5.331 local terms energy: -849.605860 where: bonds (distance) C4'-P energy: -153.275 bonds (distance) P-C4' energy: -157.391 flat angles C4'-P-C4' energy: -177.299 flat angles P-C4'-P energy: -118.568 tors. eta vs tors. theta energy: -243.073 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: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2885.729146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.729146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.729146 (E_RNA) where: Base-Base interactions energy: -2068.387 where: short stacking energy: -857.249 Base-Backbone interact. energy: -1.446 local terms energy: -815.895870 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -156.364 flat angles C4'-P-C4' energy: -174.791 flat angles P-C4'-P energy: -122.074 tors. eta vs tors. theta energy: -220.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2850.842682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.842682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.842682 (E_RNA) where: Base-Base interactions energy: -2045.854 where: short stacking energy: -848.031 Base-Backbone interact. energy: 2.312 local terms energy: -807.300760 where: bonds (distance) C4'-P energy: -146.687 bonds (distance) P-C4' energy: -142.551 flat angles C4'-P-C4' energy: -173.640 flat angles P-C4'-P energy: -116.009 tors. eta vs tors. theta energy: -228.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2679.685642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.685642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.685642 (E_RNA) where: Base-Base interactions energy: -1888.629 where: short stacking energy: -814.790 Base-Backbone interact. energy: 2.459 local terms energy: -793.515791 where: bonds (distance) C4'-P energy: -139.347 bonds (distance) P-C4' energy: -156.619 flat angles C4'-P-C4' energy: -177.419 flat angles P-C4'-P energy: -103.187 tors. eta vs tors. theta energy: -216.943 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: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2513.880634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.880634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.880634 (E_RNA) where: Base-Base interactions energy: -1731.516 where: short stacking energy: -753.598 Base-Backbone interact. energy: -1.440 local terms energy: -780.924134 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -148.704 flat angles C4'-P-C4' energy: -164.845 flat angles P-C4'-P energy: -119.018 tors. eta vs tors. theta energy: -209.837 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: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2305.110035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.110035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.110035 (E_RNA) where: Base-Base interactions energy: -1613.935 where: short stacking energy: -675.160 Base-Backbone interact. energy: 0.860 local terms energy: -692.035625 where: bonds (distance) C4'-P energy: -133.775 bonds (distance) P-C4' energy: -131.438 flat angles C4'-P-C4' energy: -158.778 flat angles P-C4'-P energy: -107.013 tors. eta vs tors. theta energy: -161.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2305.216507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.216507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.216507 (E_RNA) where: Base-Base interactions energy: -1641.911 where: short stacking energy: -681.807 Base-Backbone interact. energy: -2.559 local terms energy: -660.746054 where: bonds (distance) C4'-P energy: -124.811 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -145.665 flat angles P-C4'-P energy: -98.224 tors. eta vs tors. theta energy: -164.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1899.932842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.932842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.932842 (E_RNA) where: Base-Base interactions energy: -1309.755 where: short stacking energy: -583.158 Base-Backbone interact. energy: -4.860 local terms energy: -585.317639 where: bonds (distance) C4'-P energy: -111.569 bonds (distance) P-C4' energy: -128.199 flat angles C4'-P-C4' energy: -129.396 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -118.229 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: 9, replica: 5 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1696.447179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.447179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.447179 (E_RNA) where: Base-Base interactions energy: -1141.719 where: short stacking energy: -519.505 Base-Backbone interact. energy: 1.363 local terms energy: -556.091321 where: bonds (distance) C4'-P energy: -102.901 bonds (distance) P-C4' energy: -138.644 flat angles C4'-P-C4' energy: -134.316 flat angles P-C4'-P energy: -79.597 tors. eta vs tors. theta energy: -100.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1563.914771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.914771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.914771 (E_RNA) where: Base-Base interactions energy: -1040.636 where: short stacking energy: -438.509 Base-Backbone interact. energy: -3.607 local terms energy: -519.672146 where: bonds (distance) C4'-P energy: -134.815 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -112.135 flat angles P-C4'-P energy: -77.508 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: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2987.829414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.829414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.829414 (E_RNA) where: Base-Base interactions energy: -2148.535 where: short stacking energy: -906.548 Base-Backbone interact. energy: -2.434 local terms energy: -836.860260 where: bonds (distance) C4'-P energy: -139.713 bonds (distance) P-C4' energy: -154.574 flat angles C4'-P-C4' energy: -180.880 flat angles P-C4'-P energy: -121.317 tors. eta vs tors. theta energy: -240.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2901.769939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.769939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.769939 (E_RNA) where: Base-Base interactions energy: -2069.316 where: short stacking energy: -880.800 Base-Backbone interact. energy: -3.858 local terms energy: -828.595988 where: bonds (distance) C4'-P energy: -148.797 bonds (distance) P-C4' energy: -152.980 flat angles C4'-P-C4' energy: -184.232 flat angles P-C4'-P energy: -112.723 tors. eta vs tors. theta energy: -229.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2873.943318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.943318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.943318 (E_RNA) where: Base-Base interactions energy: -2036.739 where: short stacking energy: -835.193 Base-Backbone interact. energy: -0.397 local terms energy: -836.806713 where: bonds (distance) C4'-P energy: -143.641 bonds (distance) P-C4' energy: -151.192 flat angles C4'-P-C4' energy: -186.744 flat angles P-C4'-P energy: -123.459 tors. eta vs tors. theta energy: -231.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2716.994443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.994443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.994443 (E_RNA) where: Base-Base interactions energy: -1919.720 where: short stacking energy: -809.473 Base-Backbone interact. energy: -0.511 local terms energy: -796.762712 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -143.811 flat angles C4'-P-C4' energy: -172.089 flat angles P-C4'-P energy: -106.226 tors. eta vs tors. theta energy: -221.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2486.856079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.856079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.856079 (E_RNA) where: Base-Base interactions energy: -1710.331 where: short stacking energy: -746.483 Base-Backbone interact. energy: -0.639 local terms energy: -775.886095 where: bonds (distance) C4'-P energy: -145.654 bonds (distance) P-C4' energy: -146.972 flat angles C4'-P-C4' energy: -169.383 flat angles P-C4'-P energy: -112.455 tors. eta vs tors. theta energy: -201.422 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: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2389.020728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.020728 (E_RNA) where: Base-Base interactions energy: -1667.807 where: short stacking energy: -681.904 Base-Backbone interact. energy: 0.379 local terms energy: -721.592870 where: bonds (distance) C4'-P energy: -129.136 bonds (distance) P-C4' energy: -163.854 flat angles C4'-P-C4' energy: -156.437 flat angles P-C4'-P energy: -102.504 tors. eta vs tors. theta energy: -169.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2311.506471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.506471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.506471 (E_RNA) where: Base-Base interactions energy: -1649.669 where: short stacking energy: -671.091 Base-Backbone interact. energy: -2.055 local terms energy: -659.781879 where: bonds (distance) C4'-P energy: -124.444 bonds (distance) P-C4' energy: -130.829 flat angles C4'-P-C4' energy: -157.552 flat angles P-C4'-P energy: -98.068 tors. eta vs tors. theta energy: -148.889 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: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1842.948237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.948237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.948237 (E_RNA) where: Base-Base interactions energy: -1266.085 where: short stacking energy: -540.409 Base-Backbone interact. energy: 5.889 local terms energy: -582.752424 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -127.254 flat angles C4'-P-C4' energy: -163.290 flat angles P-C4'-P energy: -76.515 tors. eta vs tors. theta energy: -99.598 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: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1648.886245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.886245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.886245 (E_RNA) where: Base-Base interactions energy: -1098.652 where: short stacking energy: -500.776 Base-Backbone interact. energy: -1.394 local terms energy: -548.840184 where: bonds (distance) C4'-P energy: -117.958 bonds (distance) P-C4' energy: -141.194 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -74.341 tors. eta vs tors. theta energy: -107.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1516.878099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.878099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.878099 (E_RNA) where: Base-Base interactions energy: -1022.715 where: short stacking energy: -472.986 Base-Backbone interact. energy: -0.452 local terms energy: -493.711190 where: bonds (distance) C4'-P energy: -100.115 bonds (distance) P-C4' energy: -130.288 flat angles C4'-P-C4' energy: -119.658 flat angles P-C4'-P energy: -73.927 tors. eta vs tors. theta energy: -69.724 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: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3003.835134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.835134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.835134 (E_RNA) where: Base-Base interactions energy: -2138.700 where: short stacking energy: -868.611 Base-Backbone interact. energy: -4.381 local terms energy: -860.754075 where: bonds (distance) C4'-P energy: -160.465 bonds (distance) P-C4' energy: -161.494 flat angles C4'-P-C4' energy: -177.835 flat angles P-C4'-P energy: -133.920 tors. eta vs tors. theta energy: -227.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2912.404530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.404530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.404530 (E_RNA) where: Base-Base interactions energy: -2088.928 where: short stacking energy: -870.412 Base-Backbone interact. energy: -1.794 local terms energy: -821.682655 where: bonds (distance) C4'-P energy: -145.458 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -176.335 flat angles P-C4'-P energy: -113.038 tors. eta vs tors. theta energy: -239.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2892.405915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.405915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.405915 (E_RNA) where: Base-Base interactions energy: -2054.817 where: short stacking energy: -872.586 Base-Backbone interact. energy: -7.820 local terms energy: -829.768214 where: bonds (distance) C4'-P energy: -144.354 bonds (distance) P-C4' energy: -158.638 flat angles C4'-P-C4' energy: -169.247 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -246.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2691.873730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.873730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.873730 (E_RNA) where: Base-Base interactions energy: -1902.847 where: short stacking energy: -793.135 Base-Backbone interact. energy: -3.732 local terms energy: -785.294791 where: bonds (distance) C4'-P energy: -145.880 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -162.177 flat angles P-C4'-P energy: -118.987 tors. eta vs tors. theta energy: -214.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2510.278171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.278171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.278171 (E_RNA) where: Base-Base interactions energy: -1737.733 where: short stacking energy: -740.105 Base-Backbone interact. energy: -2.256 local terms energy: -770.289152 where: bonds (distance) C4'-P energy: -159.209 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -175.948 flat angles P-C4'-P energy: -121.285 tors. eta vs tors. theta energy: -189.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2421.837904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.837904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.837904 (E_RNA) where: Base-Base interactions energy: -1643.943 where: short stacking energy: -717.173 Base-Backbone interact. energy: -2.236 local terms energy: -775.659853 where: bonds (distance) C4'-P energy: -156.210 bonds (distance) P-C4' energy: -144.504 flat angles C4'-P-C4' energy: -175.408 flat angles P-C4'-P energy: -105.087 tors. eta vs tors. theta energy: -194.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2232.905011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.905011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.905011 (E_RNA) where: Base-Base interactions energy: -1586.843 where: short stacking energy: -635.960 Base-Backbone interact. energy: 1.977 local terms energy: -648.038713 where: bonds (distance) C4'-P energy: -116.926 bonds (distance) P-C4' energy: -159.680 flat angles C4'-P-C4' energy: -150.213 flat angles P-C4'-P energy: -78.454 tors. eta vs tors. theta energy: -142.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1849.896501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.896501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.896501 (E_RNA) where: Base-Base interactions energy: -1236.111 where: short stacking energy: -554.846 Base-Backbone interact. energy: 1.440 local terms energy: -615.225718 where: bonds (distance) C4'-P energy: -139.180 bonds (distance) P-C4' energy: -137.993 flat angles C4'-P-C4' energy: -138.878 flat angles P-C4'-P energy: -89.548 tors. eta vs tors. theta energy: -109.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1636.948240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.948240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.948240 (E_RNA) where: Base-Base interactions energy: -1082.756 where: short stacking energy: -520.509 Base-Backbone interact. energy: 2.982 local terms energy: -557.173678 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -122.188 flat angles C4'-P-C4' energy: -140.551 flat angles P-C4'-P energy: -78.033 tors. eta vs tors. theta energy: -99.705 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: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1464.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.338148 (E_RNA) where: Base-Base interactions energy: -993.629 where: short stacking energy: -419.831 Base-Backbone interact. energy: 6.006 local terms energy: -476.714967 where: bonds (distance) C4'-P energy: -104.353 bonds (distance) P-C4' energy: -137.699 flat angles C4'-P-C4' energy: -136.178 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: -45.944 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: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3044.345532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.345532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.345532 (E_RNA) where: Base-Base interactions energy: -2189.789 where: short stacking energy: -894.806 Base-Backbone interact. energy: -5.929 local terms energy: -848.627343 where: bonds (distance) C4'-P energy: -145.016 bonds (distance) P-C4' energy: -161.415 flat angles C4'-P-C4' energy: -185.008 flat angles P-C4'-P energy: -125.690 tors. eta vs tors. theta energy: -231.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2916.832118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.832118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.832118 (E_RNA) where: Base-Base interactions energy: -2052.933 where: short stacking energy: -864.465 Base-Backbone interact. energy: -5.961 local terms energy: -857.938200 where: bonds (distance) C4'-P energy: -157.730 bonds (distance) P-C4' energy: -150.890 flat angles C4'-P-C4' energy: -178.438 flat angles P-C4'-P energy: -129.412 tors. eta vs tors. theta energy: -241.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2883.983744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.983744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.983744 (E_RNA) where: Base-Base interactions energy: -2085.531 where: short stacking energy: -867.696 Base-Backbone interact. energy: -4.916 local terms energy: -793.536843 where: bonds (distance) C4'-P energy: -131.176 bonds (distance) P-C4' energy: -135.539 flat angles C4'-P-C4' energy: -178.763 flat angles P-C4'-P energy: -109.088 tors. eta vs tors. theta energy: -238.971 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: 275 Temperature: 1.050000 Total energy: -2705.976904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.976904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.976904 (E_RNA) where: Base-Base interactions energy: -1917.067 where: short stacking energy: -809.963 Base-Backbone interact. energy: -1.339 local terms energy: -787.570808 where: bonds (distance) C4'-P energy: -137.219 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -172.678 flat angles P-C4'-P energy: -120.606 tors. eta vs tors. theta energy: -208.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2530.501927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.501927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.501927 (E_RNA) where: Base-Base interactions energy: -1790.496 where: short stacking energy: -744.697 Base-Backbone interact. energy: -5.610 local terms energy: -734.396655 where: bonds (distance) C4'-P energy: -160.535 bonds (distance) P-C4' energy: -129.565 flat angles C4'-P-C4' energy: -164.869 flat angles P-C4'-P energy: -89.013 tors. eta vs tors. theta energy: -190.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2401.466406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.466406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.466406 (E_RNA) where: Base-Base interactions energy: -1666.996 where: short stacking energy: -729.600 Base-Backbone interact. energy: -3.165 local terms energy: -731.304781 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -124.391 flat angles C4'-P-C4' energy: -164.858 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -191.163 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: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2216.758192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.758192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.758192 (E_RNA) where: Base-Base interactions energy: -1558.413 where: short stacking energy: -689.504 Base-Backbone interact. energy: 0.335 local terms energy: -658.679354 where: bonds (distance) C4'-P energy: -132.153 bonds (distance) P-C4' energy: -100.538 flat angles C4'-P-C4' energy: -161.512 flat angles P-C4'-P energy: -95.547 tors. eta vs tors. theta energy: -168.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1830.555807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.555807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.555807 (E_RNA) where: Base-Base interactions energy: -1210.165 where: short stacking energy: -511.182 Base-Backbone interact. energy: 5.070 local terms energy: -625.460801 where: bonds (distance) C4'-P energy: -137.248 bonds (distance) P-C4' energy: -129.168 flat angles C4'-P-C4' energy: -145.672 flat angles P-C4'-P energy: -102.137 tors. eta vs tors. theta energy: -111.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1637.874800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.874800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.874800 (E_RNA) where: Base-Base interactions energy: -1070.590 where: short stacking energy: -491.546 Base-Backbone interact. energy: -1.393 local terms energy: -565.891675 where: bonds (distance) C4'-P energy: -136.386 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -127.416 flat angles P-C4'-P energy: -90.109 tors. eta vs tors. theta energy: -92.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1532.822910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.822910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.822910 (E_RNA) where: Base-Base interactions energy: -976.861 where: short stacking energy: -428.189 Base-Backbone interact. energy: -2.381 local terms energy: -553.580472 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -87.498 tors. eta vs tors. theta energy: -72.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3031.505248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.505248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.505248 (E_RNA) where: Base-Base interactions energy: -2143.252 where: short stacking energy: -899.502 Base-Backbone interact. energy: -3.243 local terms energy: -885.009782 where: bonds (distance) C4'-P energy: -160.636 bonds (distance) P-C4' energy: -168.681 flat angles C4'-P-C4' energy: -189.132 flat angles P-C4'-P energy: -123.986 tors. eta vs tors. theta energy: -242.575 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: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2948.505880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.505880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.505880 (E_RNA) where: Base-Base interactions energy: -2078.703 where: short stacking energy: -890.758 Base-Backbone interact. energy: -5.381 local terms energy: -864.421810 where: bonds (distance) C4'-P energy: -149.393 bonds (distance) P-C4' energy: -168.599 flat angles C4'-P-C4' energy: -172.085 flat angles P-C4'-P energy: -120.165 tors. eta vs tors. theta energy: -254.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2887.796221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.796221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.796221 (E_RNA) where: Base-Base interactions energy: -2038.845 where: short stacking energy: -843.032 Base-Backbone interact. energy: -4.608 local terms energy: -844.343160 where: bonds (distance) C4'-P energy: -141.423 bonds (distance) P-C4' energy: -155.618 flat angles C4'-P-C4' energy: -185.983 flat angles P-C4'-P energy: -118.626 tors. eta vs tors. theta energy: -242.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2680.650106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.650106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.650106 (E_RNA) where: Base-Base interactions energy: -1908.905 where: short stacking energy: -793.990 Base-Backbone interact. energy: 1.192 local terms energy: -772.936529 where: bonds (distance) C4'-P energy: -142.824 bonds (distance) P-C4' energy: -142.941 flat angles C4'-P-C4' energy: -169.264 flat angles P-C4'-P energy: -105.547 tors. eta vs tors. theta energy: -212.360 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: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2504.292604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.292604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.292604 (E_RNA) where: Base-Base interactions energy: -1796.477 where: short stacking energy: -743.887 Base-Backbone interact. energy: -5.078 local terms energy: -702.737510 where: bonds (distance) C4'-P energy: -125.740 bonds (distance) P-C4' energy: -129.491 flat angles C4'-P-C4' energy: -162.193 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -188.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2421.846282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.846282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.846282 (E_RNA) where: Base-Base interactions energy: -1683.140 where: short stacking energy: -750.447 Base-Backbone interact. energy: -4.766 local terms energy: -733.940356 where: bonds (distance) C4'-P energy: -140.506 bonds (distance) P-C4' energy: -142.739 flat angles C4'-P-C4' energy: -158.045 flat angles P-C4'-P energy: -103.391 tors. eta vs tors. theta energy: -189.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2232.412167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.412167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.412167 (E_RNA) where: Base-Base interactions energy: -1601.145 where: short stacking energy: -677.201 Base-Backbone interact. energy: 0.431 local terms energy: -631.698069 where: bonds (distance) C4'-P energy: -113.660 bonds (distance) P-C4' energy: -123.600 flat angles C4'-P-C4' energy: -156.774 flat angles P-C4'-P energy: -91.415 tors. eta vs tors. theta energy: -146.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1911.782491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.782491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.782491 (E_RNA) where: Base-Base interactions energy: -1260.749 where: short stacking energy: -547.727 Base-Backbone interact. energy: -1.163 local terms energy: -649.870852 where: bonds (distance) C4'-P energy: -138.227 bonds (distance) P-C4' energy: -150.593 flat angles C4'-P-C4' energy: -146.665 flat angles P-C4'-P energy: -87.066 tors. eta vs tors. theta energy: -127.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1666.110827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.110827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.110827 (E_RNA) where: Base-Base interactions energy: -1123.935 where: short stacking energy: -521.940 Base-Backbone interact. energy: 10.096 local terms energy: -552.271973 where: bonds (distance) C4'-P energy: -112.341 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -139.318 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: -100.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1537.664550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.664550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.664550 (E_RNA) where: Base-Base interactions energy: -964.599 where: short stacking energy: -439.769 Base-Backbone interact. energy: -1.772 local terms energy: -571.293385 where: bonds (distance) C4'-P energy: -127.482 bonds (distance) P-C4' energy: -141.934 flat angles C4'-P-C4' energy: -116.807 flat angles P-C4'-P energy: -109.266 tors. eta vs tors. theta energy: -75.805 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: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2988.734405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.734405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.734405 (E_RNA) where: Base-Base interactions energy: -2117.458 where: short stacking energy: -889.323 Base-Backbone interact. energy: 0.697 local terms energy: -871.973652 where: bonds (distance) C4'-P energy: -160.836 bonds (distance) P-C4' energy: -162.623 flat angles C4'-P-C4' energy: -184.556 flat angles P-C4'-P energy: -135.603 tors. eta vs tors. theta energy: -228.355 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: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2949.390246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.390246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.390246 (E_RNA) where: Base-Base interactions energy: -2073.489 where: short stacking energy: -882.625 Base-Backbone interact. energy: -3.376 local terms energy: -872.525030 where: bonds (distance) C4'-P energy: -159.877 bonds (distance) P-C4' energy: -162.767 flat angles C4'-P-C4' energy: -189.295 flat angles P-C4'-P energy: -117.854 tors. eta vs tors. theta energy: -242.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2846.465852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.465852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.465852 (E_RNA) where: Base-Base interactions energy: -2009.975 where: short stacking energy: -865.580 Base-Backbone interact. energy: 9.212 local terms energy: -845.703510 where: bonds (distance) C4'-P energy: -147.825 bonds (distance) P-C4' energy: -161.121 flat angles C4'-P-C4' energy: -182.244 flat angles P-C4'-P energy: -115.870 tors. eta vs tors. theta energy: -238.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2679.190001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.190001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.190001 (E_RNA) where: Base-Base interactions energy: -1913.980 where: short stacking energy: -779.049 Base-Backbone interact. energy: -3.063 local terms energy: -762.147274 where: bonds (distance) C4'-P energy: -131.854 bonds (distance) P-C4' energy: -154.657 flat angles C4'-P-C4' energy: -167.746 flat angles P-C4'-P energy: -100.379 tors. eta vs tors. theta energy: -207.511 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: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2494.778231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.778231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.778231 (E_RNA) where: Base-Base interactions energy: -1768.956 where: short stacking energy: -716.754 Base-Backbone interact. energy: 2.226 local terms energy: -728.047929 where: bonds (distance) C4'-P energy: -109.133 bonds (distance) P-C4' energy: -132.393 flat angles C4'-P-C4' energy: -177.597 flat angles P-C4'-P energy: -109.014 tors. eta vs tors. theta energy: -199.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2390.716158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.716158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.716158 (E_RNA) where: Base-Base interactions energy: -1663.671 where: short stacking energy: -734.003 Base-Backbone interact. energy: 3.283 local terms energy: -730.328565 where: bonds (distance) C4'-P energy: -141.706 bonds (distance) P-C4' energy: -137.354 flat angles C4'-P-C4' energy: -159.740 flat angles P-C4'-P energy: -98.668 tors. eta vs tors. theta energy: -192.859 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: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2221.512833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.512833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.512833 (E_RNA) where: Base-Base interactions energy: -1553.819 where: short stacking energy: -650.382 Base-Backbone interact. energy: -1.289 local terms energy: -666.404949 where: bonds (distance) C4'-P energy: -128.933 bonds (distance) P-C4' energy: -144.943 flat angles C4'-P-C4' energy: -149.935 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -155.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2044.004290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.004290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.004290 (E_RNA) where: Base-Base interactions energy: -1404.673 where: short stacking energy: -619.854 Base-Backbone interact. energy: -3.321 local terms energy: -636.010110 where: bonds (distance) C4'-P energy: -120.417 bonds (distance) P-C4' energy: -124.218 flat angles C4'-P-C4' energy: -152.330 flat angles P-C4'-P energy: -90.054 tors. eta vs tors. theta energy: -148.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1675.082859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.082859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.082859 (E_RNA) where: Base-Base interactions energy: -1129.519 where: short stacking energy: -498.425 Base-Backbone interact. energy: 2.276 local terms energy: -547.839928 where: bonds (distance) C4'-P energy: -133.293 bonds (distance) P-C4' energy: -115.479 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -91.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1518.427690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.427690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.427690 (E_RNA) where: Base-Base interactions energy: -1008.031 where: short stacking energy: -468.772 Base-Backbone interact. energy: -3.109 local terms energy: -507.287524 where: bonds (distance) C4'-P energy: -113.365 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -118.108 flat angles P-C4'-P energy: -81.259 tors. eta vs tors. theta energy: -57.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3010.639126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.639126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.639126 (E_RNA) where: Base-Base interactions energy: -2132.113 where: short stacking energy: -906.968 Base-Backbone interact. energy: 0.463 local terms energy: -878.989162 where: bonds (distance) C4'-P energy: -156.776 bonds (distance) P-C4' energy: -166.172 flat angles C4'-P-C4' energy: -184.807 flat angles P-C4'-P energy: -133.179 tors. eta vs tors. theta energy: -238.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2888.744959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.744959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.744959 (E_RNA) where: Base-Base interactions energy: -2066.063 where: short stacking energy: -849.875 Base-Backbone interact. energy: -5.031 local terms energy: -817.650549 where: bonds (distance) C4'-P energy: -153.899 bonds (distance) P-C4' energy: -153.896 flat angles C4'-P-C4' energy: -165.354 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -236.578 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2866.049721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.049721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.049721 (E_RNA) where: Base-Base interactions energy: -2016.252 where: short stacking energy: -856.218 Base-Backbone interact. energy: -5.000 local terms energy: -844.797764 where: bonds (distance) C4'-P energy: -162.441 bonds (distance) P-C4' energy: -146.722 flat angles C4'-P-C4' energy: -172.010 flat angles P-C4'-P energy: -126.104 tors. eta vs tors. theta energy: -237.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2680.505342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.505342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.505342 (E_RNA) where: Base-Base interactions energy: -1871.930 where: short stacking energy: -789.124 Base-Backbone interact. energy: -2.999 local terms energy: -805.576543 where: bonds (distance) C4'-P energy: -127.785 bonds (distance) P-C4' energy: -171.419 flat angles C4'-P-C4' energy: -170.166 flat angles P-C4'-P energy: -123.667 tors. eta vs tors. theta energy: -212.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2501.065827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.065827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.065827 (E_RNA) where: Base-Base interactions energy: -1779.042 where: short stacking energy: -725.776 Base-Backbone interact. energy: -1.614 local terms energy: -720.409855 where: bonds (distance) C4'-P energy: -134.104 bonds (distance) P-C4' energy: -131.134 flat angles C4'-P-C4' energy: -165.293 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -193.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2402.567550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.567550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.567550 (E_RNA) where: Base-Base interactions energy: -1652.860 where: short stacking energy: -728.705 Base-Backbone interact. energy: -2.166 local terms energy: -747.541431 where: bonds (distance) C4'-P energy: -130.551 bonds (distance) P-C4' energy: -148.912 flat angles C4'-P-C4' energy: -167.862 flat angles P-C4'-P energy: -117.075 tors. eta vs tors. theta energy: -183.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2266.458453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.458453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.458453 (E_RNA) where: Base-Base interactions energy: -1572.228 where: short stacking energy: -689.767 Base-Backbone interact. energy: -4.130 local terms energy: -690.100192 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -128.527 flat angles C4'-P-C4' energy: -156.306 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -166.833 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: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2016.399875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.399875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.399875 (E_RNA) where: Base-Base interactions energy: -1373.542 where: short stacking energy: -590.826 Base-Backbone interact. energy: -4.863 local terms energy: -637.994396 where: bonds (distance) C4'-P energy: -125.984 bonds (distance) P-C4' energy: -135.791 flat angles C4'-P-C4' energy: -149.804 flat angles P-C4'-P energy: -87.218 tors. eta vs tors. theta energy: -139.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1729.697208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.697208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.697208 (E_RNA) where: Base-Base interactions energy: -1170.175 where: short stacking energy: -536.682 Base-Backbone interact. energy: -0.127 local terms energy: -559.395764 where: bonds (distance) C4'-P energy: -130.717 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -132.363 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -98.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1521.247582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.247582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.247582 (E_RNA) where: Base-Base interactions energy: -1036.691 where: short stacking energy: -440.722 Base-Backbone interact. energy: -3.620 local terms energy: -480.936983 where: bonds (distance) C4'-P energy: -105.292 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -114.840 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -58.338 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: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3014.927657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.927657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.927657 (E_RNA) where: Base-Base interactions energy: -2144.640 where: short stacking energy: -906.138 Base-Backbone interact. energy: -6.309 local terms energy: -863.978708 where: bonds (distance) C4'-P energy: -143.164 bonds (distance) P-C4' energy: -165.781 flat angles C4'-P-C4' energy: -191.083 flat angles P-C4'-P energy: -133.007 tors. eta vs tors. theta energy: -230.944 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: 279 Temperature: 0.950000 Total energy: -2909.493885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.493885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.493885 (E_RNA) where: Base-Base interactions energy: -2058.879 where: short stacking energy: -861.660 Base-Backbone interact. energy: -8.537 local terms energy: -842.078106 where: bonds (distance) C4'-P energy: -151.632 bonds (distance) P-C4' energy: -159.338 flat angles C4'-P-C4' energy: -177.474 flat angles P-C4'-P energy: -123.039 tors. eta vs tors. theta energy: -230.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2880.419546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.419546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.419546 (E_RNA) where: Base-Base interactions energy: -2059.013 where: short stacking energy: -843.058 Base-Backbone interact. energy: -1.725 local terms energy: -819.680811 where: bonds (distance) C4'-P energy: -139.785 bonds (distance) P-C4' energy: -138.222 flat angles C4'-P-C4' energy: -179.692 flat angles P-C4'-P energy: -120.326 tors. eta vs tors. theta energy: -241.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2665.622302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.622302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.622302 (E_RNA) where: Base-Base interactions energy: -1858.028 where: short stacking energy: -814.116 Base-Backbone interact. energy: 0.475 local terms energy: -808.069308 where: bonds (distance) C4'-P energy: -156.482 bonds (distance) P-C4' energy: -167.684 flat angles C4'-P-C4' energy: -178.445 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -211.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2494.532744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.532744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.532744 (E_RNA) where: Base-Base interactions energy: -1757.000 where: short stacking energy: -755.680 Base-Backbone interact. energy: -1.359 local terms energy: -736.173367 where: bonds (distance) C4'-P energy: -141.874 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -173.099 flat angles P-C4'-P energy: -90.908 tors. eta vs tors. theta energy: -194.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2463.630343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.630343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.630343 (E_RNA) where: Base-Base interactions energy: -1742.019 where: short stacking energy: -717.382 Base-Backbone interact. energy: -1.618 local terms energy: -719.993023 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -174.116 flat angles P-C4'-P energy: -85.181 tors. eta vs tors. theta energy: -180.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2162.843195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.843195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.843195 (E_RNA) where: Base-Base interactions energy: -1510.838 where: short stacking energy: -658.380 Base-Backbone interact. energy: -1.245 local terms energy: -650.759849 where: bonds (distance) C4'-P energy: -139.808 bonds (distance) P-C4' energy: -123.503 flat angles C4'-P-C4' energy: -143.872 flat angles P-C4'-P energy: -97.330 tors. eta vs tors. theta energy: -146.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1960.463562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.463562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.463562 (E_RNA) where: Base-Base interactions energy: -1346.673 where: short stacking energy: -594.877 Base-Backbone interact. energy: -2.579 local terms energy: -611.210677 where: bonds (distance) C4'-P energy: -119.195 bonds (distance) P-C4' energy: -119.638 flat angles C4'-P-C4' energy: -150.109 flat angles P-C4'-P energy: -108.057 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1638.183956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.183956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.183956 (E_RNA) where: Base-Base interactions energy: -1079.322 where: short stacking energy: -496.190 Base-Backbone interact. energy: -2.085 local terms energy: -556.777248 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -123.265 flat angles C4'-P-C4' energy: -133.348 flat angles P-C4'-P energy: -97.167 tors. eta vs tors. theta energy: -89.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1555.212159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.212159 (E_RNA) where: Base-Base interactions energy: -1060.471 where: short stacking energy: -487.997 Base-Backbone interact. energy: -0.626 local terms energy: -494.115063 where: bonds (distance) C4'-P energy: -114.597 bonds (distance) P-C4' energy: -121.752 flat angles C4'-P-C4' energy: -122.047 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -71.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3012.308593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.308593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.308593 (E_RNA) where: Base-Base interactions energy: -2170.566 where: short stacking energy: -899.076 Base-Backbone interact. energy: -2.044 local terms energy: -839.698918 where: bonds (distance) C4'-P energy: -148.958 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -179.546 flat angles P-C4'-P energy: -115.720 tors. eta vs tors. theta energy: -231.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2953.191996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.191996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.191996 (E_RNA) where: Base-Base interactions energy: -2085.981 where: short stacking energy: -868.717 Base-Backbone interact. energy: -3.670 local terms energy: -863.540706 where: bonds (distance) C4'-P energy: -163.918 bonds (distance) P-C4' energy: -153.005 flat angles C4'-P-C4' energy: -190.174 flat angles P-C4'-P energy: -111.492 tors. eta vs tors. theta energy: -244.951 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: 280 Temperature: 1.000000 Total energy: -2868.396574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.396574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.396574 (E_RNA) where: Base-Base interactions energy: -2055.999 where: short stacking energy: -860.889 Base-Backbone interact. energy: -1.562 local terms energy: -810.835869 where: bonds (distance) C4'-P energy: -144.115 bonds (distance) P-C4' energy: -142.903 flat angles C4'-P-C4' energy: -179.767 flat angles P-C4'-P energy: -111.147 tors. eta vs tors. theta energy: -232.904 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: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2673.429967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.429967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.429967 (E_RNA) where: Base-Base interactions energy: -1877.598 where: short stacking energy: -784.117 Base-Backbone interact. energy: 9.335 local terms energy: -805.166680 where: bonds (distance) C4'-P energy: -147.907 bonds (distance) P-C4' energy: -146.507 flat angles C4'-P-C4' energy: -171.498 flat angles P-C4'-P energy: -124.019 tors. eta vs tors. theta energy: -215.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2501.890779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.890779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.890779 (E_RNA) where: Base-Base interactions energy: -1779.084 where: short stacking energy: -763.869 Base-Backbone interact. energy: -3.019 local terms energy: -719.788521 where: bonds (distance) C4'-P energy: -151.494 bonds (distance) P-C4' energy: -127.848 flat angles C4'-P-C4' energy: -160.570 flat angles P-C4'-P energy: -94.624 tors. eta vs tors. theta energy: -185.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2417.207881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.207881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.207881 (E_RNA) where: Base-Base interactions energy: -1690.146 where: short stacking energy: -754.061 Base-Backbone interact. energy: -2.130 local terms energy: -724.931664 where: bonds (distance) C4'-P energy: -126.543 bonds (distance) P-C4' energy: -140.414 flat angles C4'-P-C4' energy: -169.930 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -197.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2340.461439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.461439 (E_RNA) where: Base-Base interactions energy: -1623.903 where: short stacking energy: -690.090 Base-Backbone interact. energy: -3.907 local terms energy: -712.650897 where: bonds (distance) C4'-P energy: -127.977 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -162.291 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -177.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1917.192199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.192199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.192199 (E_RNA) where: Base-Base interactions energy: -1332.995 where: short stacking energy: -559.220 Base-Backbone interact. energy: 0.707 local terms energy: -584.904248 where: bonds (distance) C4'-P energy: -109.812 bonds (distance) P-C4' energy: -145.669 flat angles C4'-P-C4' energy: -148.386 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: -106.732 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: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1787.997529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.997529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.997529 (E_RNA) where: Base-Base interactions energy: -1192.917 where: short stacking energy: -541.493 Base-Backbone interact. energy: -0.345 local terms energy: -594.735624 where: bonds (distance) C4'-P energy: -122.247 bonds (distance) P-C4' energy: -145.039 flat angles C4'-P-C4' energy: -140.954 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -105.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1531.768091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.768091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.768091 (E_RNA) where: Base-Base interactions energy: -1009.395 where: short stacking energy: -433.367 Base-Backbone interact. energy: 3.700 local terms energy: -526.073546 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -141.379 flat angles C4'-P-C4' energy: -122.598 flat angles P-C4'-P energy: -73.436 tors. eta vs tors. theta energy: -65.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2991.548071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.548071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.548071 (E_RNA) where: Base-Base interactions energy: -2122.999 where: short stacking energy: -896.342 Base-Backbone interact. energy: -1.268 local terms energy: -867.280664 where: bonds (distance) C4'-P energy: -165.484 bonds (distance) P-C4' energy: -157.965 flat angles C4'-P-C4' energy: -179.677 flat angles P-C4'-P energy: -129.831 tors. eta vs tors. theta energy: -234.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2945.827085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.827085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.827085 (E_RNA) where: Base-Base interactions energy: -2080.102 where: short stacking energy: -883.142 Base-Backbone interact. energy: -4.022 local terms energy: -861.703542 where: bonds (distance) C4'-P energy: -153.733 bonds (distance) P-C4' energy: -173.224 flat angles C4'-P-C4' energy: -181.054 flat angles P-C4'-P energy: -115.490 tors. eta vs tors. theta energy: -238.203 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: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2869.758849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.758849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.758849 (E_RNA) where: Base-Base interactions energy: -2065.283 where: short stacking energy: -835.296 Base-Backbone interact. energy: -0.248 local terms energy: -804.228045 where: bonds (distance) C4'-P energy: -131.999 bonds (distance) P-C4' energy: -151.169 flat angles C4'-P-C4' energy: -178.522 flat angles P-C4'-P energy: -109.841 tors. eta vs tors. theta energy: -232.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2679.745934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.745934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.745934 (E_RNA) where: Base-Base interactions energy: -1887.131 where: short stacking energy: -801.062 Base-Backbone interact. energy: -2.184 local terms energy: -790.430297 where: bonds (distance) C4'-P energy: -164.555 bonds (distance) P-C4' energy: -143.564 flat angles C4'-P-C4' energy: -175.276 flat angles P-C4'-P energy: -84.562 tors. eta vs tors. theta energy: -222.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2520.855839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.855839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.855839 (E_RNA) where: Base-Base interactions energy: -1796.668 where: short stacking energy: -764.673 Base-Backbone interact. energy: 3.904 local terms energy: -728.091186 where: bonds (distance) C4'-P energy: -147.190 bonds (distance) P-C4' energy: -141.103 flat angles C4'-P-C4' energy: -155.331 flat angles P-C4'-P energy: -89.262 tors. eta vs tors. theta energy: -195.205 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: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2435.656721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.656721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.656721 (E_RNA) where: Base-Base interactions energy: -1681.612 where: short stacking energy: -754.543 Base-Backbone interact. energy: 1.293 local terms energy: -755.338392 where: bonds (distance) C4'-P energy: -135.032 bonds (distance) P-C4' energy: -155.212 flat angles C4'-P-C4' energy: -155.543 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -207.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2365.513317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.513317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.513317 (E_RNA) where: Base-Base interactions energy: -1638.247 where: short stacking energy: -725.492 Base-Backbone interact. energy: -5.343 local terms energy: -721.923150 where: bonds (distance) C4'-P energy: -151.623 bonds (distance) P-C4' energy: -123.190 flat angles C4'-P-C4' energy: -155.252 flat angles P-C4'-P energy: -97.917 tors. eta vs tors. theta energy: -193.941 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: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1995.686872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.686872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.686872 (E_RNA) where: Base-Base interactions energy: -1385.834 where: short stacking energy: -583.665 Base-Backbone interact. energy: 1.679 local terms energy: -611.531586 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -145.013 flat angles C4'-P-C4' energy: -147.053 flat angles P-C4'-P energy: -99.673 tors. eta vs tors. theta energy: -128.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1768.071390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.071390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.071390 (E_RNA) where: Base-Base interactions energy: -1192.924 where: short stacking energy: -526.661 Base-Backbone interact. energy: -2.441 local terms energy: -572.706442 where: bonds (distance) C4'-P energy: -134.752 bonds (distance) P-C4' energy: -114.982 flat angles C4'-P-C4' energy: -139.322 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -99.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1498.659326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.659326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.659326 (E_RNA) where: Base-Base interactions energy: -978.048 where: short stacking energy: -441.020 Base-Backbone interact. energy: 1.324 local terms energy: -521.935185 where: bonds (distance) C4'-P energy: -100.587 bonds (distance) P-C4' energy: -131.311 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -73.827 tors. eta vs tors. theta energy: -74.445 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: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3014.936432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.936432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.936432 (E_RNA) where: Base-Base interactions energy: -2128.729 where: short stacking energy: -908.592 Base-Backbone interact. energy: -3.811 local terms energy: -882.396542 where: bonds (distance) C4'-P energy: -162.894 bonds (distance) P-C4' energy: -157.938 flat angles C4'-P-C4' energy: -188.083 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -248.618 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: 2 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2938.141635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.141635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.141635 (E_RNA) where: Base-Base interactions energy: -2103.839 where: short stacking energy: -861.884 Base-Backbone interact. energy: -5.781 local terms energy: -828.522183 where: bonds (distance) C4'-P energy: -147.212 bonds (distance) P-C4' energy: -156.389 flat angles C4'-P-C4' energy: -166.086 flat angles P-C4'-P energy: -131.675 tors. eta vs tors. theta energy: -227.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2823.971321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.971321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.971321 (E_RNA) where: Base-Base interactions energy: -2001.500 where: short stacking energy: -841.352 Base-Backbone interact. energy: 1.692 local terms energy: -824.163733 where: bonds (distance) C4'-P energy: -137.238 bonds (distance) P-C4' energy: -165.991 flat angles C4'-P-C4' energy: -173.477 flat angles P-C4'-P energy: -114.777 tors. eta vs tors. theta energy: -232.680 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: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2648.240969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.240969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.240969 (E_RNA) where: Base-Base interactions energy: -1886.365 where: short stacking energy: -807.418 Base-Backbone interact. energy: -4.110 local terms energy: -757.765916 where: bonds (distance) C4'-P energy: -112.563 bonds (distance) P-C4' energy: -134.791 flat angles C4'-P-C4' energy: -167.721 flat angles P-C4'-P energy: -117.269 tors. eta vs tors. theta energy: -225.423 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: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2523.900893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.900893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.900893 (E_RNA) where: Base-Base interactions energy: -1758.955 where: short stacking energy: -739.515 Base-Backbone interact. energy: 2.201 local terms energy: -767.147084 where: bonds (distance) C4'-P energy: -139.468 bonds (distance) P-C4' energy: -162.316 flat angles C4'-P-C4' energy: -165.702 flat angles P-C4'-P energy: -105.996 tors. eta vs tors. theta energy: -193.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2399.125451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.125451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.125451 (E_RNA) where: Base-Base interactions energy: -1670.322 where: short stacking energy: -697.463 Base-Backbone interact. energy: -7.160 local terms energy: -721.643329 where: bonds (distance) C4'-P energy: -118.237 bonds (distance) P-C4' energy: -147.181 flat angles C4'-P-C4' energy: -162.790 flat angles P-C4'-P energy: -100.595 tors. eta vs tors. theta energy: -192.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2292.790253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.790253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.790253 (E_RNA) where: Base-Base interactions energy: -1610.694 where: short stacking energy: -707.237 Base-Backbone interact. energy: -0.513 local terms energy: -681.582491 where: bonds (distance) C4'-P energy: -137.122 bonds (distance) P-C4' energy: -128.936 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -77.231 tors. eta vs tors. theta energy: -181.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1846.440281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.440281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.440281 (E_RNA) where: Base-Base interactions energy: -1259.839 where: short stacking energy: -556.409 Base-Backbone interact. energy: -3.807 local terms energy: -582.793968 where: bonds (distance) C4'-P energy: -134.311 bonds (distance) P-C4' energy: -126.033 flat angles C4'-P-C4' energy: -136.884 flat angles P-C4'-P energy: -69.532 tors. eta vs tors. theta energy: -116.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1764.124998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.124998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.124998 (E_RNA) where: Base-Base interactions energy: -1195.915 where: short stacking energy: -527.552 Base-Backbone interact. energy: -0.417 local terms energy: -567.793231 where: bonds (distance) C4'-P energy: -111.337 bonds (distance) P-C4' energy: -135.761 flat angles C4'-P-C4' energy: -137.016 flat angles P-C4'-P energy: -74.985 tors. eta vs tors. theta energy: -108.694 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: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1476.127527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.127527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.127527 (E_RNA) where: Base-Base interactions energy: -953.430 where: short stacking energy: -407.851 Base-Backbone interact. energy: -0.219 local terms energy: -522.477923 where: bonds (distance) C4'-P energy: -118.745 bonds (distance) P-C4' energy: -134.734 flat angles C4'-P-C4' energy: -131.256 flat angles P-C4'-P energy: -79.326 tors. eta vs tors. theta energy: -58.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3014.055010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.055010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.055010 (E_RNA) where: Base-Base interactions energy: -2110.682 where: short stacking energy: -892.547 Base-Backbone interact. energy: -2.371 local terms energy: -901.001489 where: bonds (distance) C4'-P energy: -172.606 bonds (distance) P-C4' energy: -173.016 flat angles C4'-P-C4' energy: -189.292 flat angles P-C4'-P energy: -122.372 tors. eta vs tors. theta energy: -243.714 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: 283 Temperature: 0.950000 Total energy: -2938.086452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.086452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.086452 (E_RNA) where: Base-Base interactions energy: -2119.605 where: short stacking energy: -878.701 Base-Backbone interact. energy: -1.574 local terms energy: -816.907378 where: bonds (distance) C4'-P energy: -143.803 bonds (distance) P-C4' energy: -150.606 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -120.914 tors. eta vs tors. theta energy: -232.871 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: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2867.920598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.920598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.920598 (E_RNA) where: Base-Base interactions energy: -2027.998 where: short stacking energy: -854.326 Base-Backbone interact. energy: -6.652 local terms energy: -833.271134 where: bonds (distance) C4'-P energy: -156.665 bonds (distance) P-C4' energy: -150.125 flat angles C4'-P-C4' energy: -177.910 flat angles P-C4'-P energy: -106.811 tors. eta vs tors. theta energy: -241.760 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: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2641.863776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.863776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.863776 (E_RNA) where: Base-Base interactions energy: -1839.686 where: short stacking energy: -781.777 Base-Backbone interact. energy: -5.047 local terms energy: -797.130746 where: bonds (distance) C4'-P energy: -141.547 bonds (distance) P-C4' energy: -156.821 flat angles C4'-P-C4' energy: -179.597 flat angles P-C4'-P energy: -111.660 tors. eta vs tors. theta energy: -207.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2494.647844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.647844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.647844 (E_RNA) where: Base-Base interactions energy: -1727.774 where: short stacking energy: -717.211 Base-Backbone interact. energy: -1.527 local terms energy: -765.346923 where: bonds (distance) C4'-P energy: -142.715 bonds (distance) P-C4' energy: -159.088 flat angles C4'-P-C4' energy: -150.986 flat angles P-C4'-P energy: -121.982 tors. eta vs tors. theta energy: -190.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2374.793180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.793180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.793180 (E_RNA) where: Base-Base interactions energy: -1671.555 where: short stacking energy: -715.313 Base-Backbone interact. energy: -5.603 local terms energy: -697.635271 where: bonds (distance) C4'-P energy: -135.958 bonds (distance) P-C4' energy: -147.364 flat angles C4'-P-C4' energy: -160.475 flat angles P-C4'-P energy: -81.408 tors. eta vs tors. theta energy: -172.430 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: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2256.050850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.050850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.050850 (E_RNA) where: Base-Base interactions energy: -1563.957 where: short stacking energy: -694.590 Base-Backbone interact. energy: -1.503 local terms energy: -690.590942 where: bonds (distance) C4'-P energy: -139.109 bonds (distance) P-C4' energy: -130.824 flat angles C4'-P-C4' energy: -147.306 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -173.567 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: 283 Temperature: 1.250000 Total energy: -1842.149184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.149184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.149184 (E_RNA) where: Base-Base interactions energy: -1261.824 where: short stacking energy: -534.486 Base-Backbone interact. energy: -2.075 local terms energy: -578.250524 where: bonds (distance) C4'-P energy: -141.810 bonds (distance) P-C4' energy: -138.899 flat angles C4'-P-C4' energy: -115.947 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -109.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1806.492902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.492902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.492902 (E_RNA) where: Base-Base interactions energy: -1212.448 where: short stacking energy: -539.873 Base-Backbone interact. energy: -2.111 local terms energy: -591.933646 where: bonds (distance) C4'-P energy: -126.906 bonds (distance) P-C4' energy: -145.690 flat angles C4'-P-C4' energy: -138.485 flat angles P-C4'-P energy: -85.318 tors. eta vs tors. theta energy: -95.536 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: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1543.614407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.614407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.614407 (E_RNA) where: Base-Base interactions energy: -1026.573 where: short stacking energy: -451.823 Base-Backbone interact. energy: -1.559 local terms energy: -515.482284 where: bonds (distance) C4'-P energy: -109.120 bonds (distance) P-C4' energy: -130.847 flat angles C4'-P-C4' energy: -120.185 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -64.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3021.368461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.368461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.368461 (E_RNA) where: Base-Base interactions energy: -2150.763 where: short stacking energy: -893.038 Base-Backbone interact. energy: -3.028 local terms energy: -867.577680 where: bonds (distance) C4'-P energy: -142.024 bonds (distance) P-C4' energy: -165.490 flat angles C4'-P-C4' energy: -182.391 flat angles P-C4'-P energy: -131.448 tors. eta vs tors. theta energy: -246.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2953.584724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.584724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.584724 (E_RNA) where: Base-Base interactions energy: -2109.566 where: short stacking energy: -863.288 Base-Backbone interact. energy: -2.527 local terms energy: -841.491717 where: bonds (distance) C4'-P energy: -142.181 bonds (distance) P-C4' energy: -156.459 flat angles C4'-P-C4' energy: -187.483 flat angles P-C4'-P energy: -116.644 tors. eta vs tors. theta energy: -238.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2826.224827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.224827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.224827 (E_RNA) where: Base-Base interactions energy: -2011.613 where: short stacking energy: -817.118 Base-Backbone interact. energy: -4.584 local terms energy: -810.027846 where: bonds (distance) C4'-P energy: -130.139 bonds (distance) P-C4' energy: -159.297 flat angles C4'-P-C4' energy: -181.460 flat angles P-C4'-P energy: -117.959 tors. eta vs tors. theta energy: -221.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2653.145113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.145113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.145113 (E_RNA) where: Base-Base interactions energy: -1844.961 where: short stacking energy: -775.240 Base-Backbone interact. energy: -1.573 local terms energy: -806.611247 where: bonds (distance) C4'-P energy: -147.631 bonds (distance) P-C4' energy: -171.411 flat angles C4'-P-C4' energy: -168.739 flat angles P-C4'-P energy: -111.657 tors. eta vs tors. theta energy: -207.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2529.564800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.564800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.564800 (E_RNA) where: Base-Base interactions energy: -1777.469 where: short stacking energy: -761.172 Base-Backbone interact. energy: -1.200 local terms energy: -750.896581 where: bonds (distance) C4'-P energy: -131.078 bonds (distance) P-C4' energy: -135.876 flat angles C4'-P-C4' energy: -155.077 flat angles P-C4'-P energy: -111.814 tors. eta vs tors. theta energy: -217.051 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: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2394.468705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.468705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.468705 (E_RNA) where: Base-Base interactions energy: -1685.898 where: short stacking energy: -721.469 Base-Backbone interact. energy: -1.260 local terms energy: -707.310393 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -147.371 flat angles P-C4'-P energy: -101.040 tors. eta vs tors. theta energy: -180.137 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: 3 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2324.522394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.522394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.522394 (E_RNA) where: Base-Base interactions energy: -1585.436 where: short stacking energy: -710.376 Base-Backbone interact. energy: 0.989 local terms energy: -740.075028 where: bonds (distance) C4'-P energy: -142.163 bonds (distance) P-C4' energy: -149.239 flat angles C4'-P-C4' energy: -170.373 flat angles P-C4'-P energy: -102.748 tors. eta vs tors. theta energy: -175.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1952.042516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.042516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.042516 (E_RNA) where: Base-Base interactions energy: -1310.176 where: short stacking energy: -587.720 Base-Backbone interact. energy: 1.451 local terms energy: -643.316991 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -143.134 flat angles C4'-P-C4' energy: -146.431 flat angles P-C4'-P energy: -84.622 tors. eta vs tors. theta energy: -143.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1746.991044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.991044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.991044 (E_RNA) where: Base-Base interactions energy: -1174.778 where: short stacking energy: -509.567 Base-Backbone interact. energy: -3.114 local terms energy: -569.098428 where: bonds (distance) C4'-P energy: -120.286 bonds (distance) P-C4' energy: -141.698 flat angles C4'-P-C4' energy: -141.408 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -92.050 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1464.222960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.222960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.222960 (E_RNA) where: Base-Base interactions energy: -982.233 where: short stacking energy: -432.741 Base-Backbone interact. energy: 6.426 local terms energy: -488.416882 where: bonds (distance) C4'-P energy: -141.031 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -117.718 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -67.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2940.307391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.307391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.307391 (E_RNA) where: Base-Base interactions energy: -2068.339 where: short stacking energy: -875.038 Base-Backbone interact. energy: -9.369 local terms energy: -862.598727 where: bonds (distance) C4'-P energy: -169.834 bonds (distance) P-C4' energy: -158.940 flat angles C4'-P-C4' energy: -186.335 flat angles P-C4'-P energy: -114.121 tors. eta vs tors. theta energy: -233.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2955.211823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.211823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.211823 (E_RNA) where: Base-Base interactions energy: -2132.610 where: short stacking energy: -894.581 Base-Backbone interact. energy: -3.519 local terms energy: -819.083046 where: bonds (distance) C4'-P energy: -134.475 bonds (distance) P-C4' energy: -161.464 flat angles C4'-P-C4' energy: -177.953 flat angles P-C4'-P energy: -109.617 tors. eta vs tors. theta energy: -235.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2823.628815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.628815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.628815 (E_RNA) where: Base-Base interactions energy: -1981.791 where: short stacking energy: -807.961 Base-Backbone interact. energy: -5.033 local terms energy: -836.804219 where: bonds (distance) C4'-P energy: -160.771 bonds (distance) P-C4' energy: -156.820 flat angles C4'-P-C4' energy: -176.445 flat angles P-C4'-P energy: -124.352 tors. eta vs tors. theta energy: -218.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2637.162293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.162293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.162293 (E_RNA) where: Base-Base interactions energy: -1857.250 where: short stacking energy: -777.922 Base-Backbone interact. energy: -5.964 local terms energy: -773.949077 where: bonds (distance) C4'-P energy: -140.764 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -157.508 flat angles P-C4'-P energy: -114.873 tors. eta vs tors. theta energy: -201.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2574.198455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.198455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.198455 (E_RNA) where: Base-Base interactions energy: -1830.588 where: short stacking energy: -749.768 Base-Backbone interact. energy: -2.262 local terms energy: -741.348632 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -174.288 flat angles P-C4'-P energy: -103.686 tors. eta vs tors. theta energy: -189.351 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: 6, replica: 7 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2376.988075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.988075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.988075 (E_RNA) where: Base-Base interactions energy: -1664.830 where: short stacking energy: -681.271 Base-Backbone interact. energy: -2.606 local terms energy: -709.552417 where: bonds (distance) C4'-P energy: -135.948 bonds (distance) P-C4' energy: -146.884 flat angles C4'-P-C4' energy: -151.644 flat angles P-C4'-P energy: -93.709 tors. eta vs tors. theta energy: -181.367 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: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2273.987906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.987906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.987906 (E_RNA) where: Base-Base interactions energy: -1583.861 where: short stacking energy: -697.308 Base-Backbone interact. energy: 2.356 local terms energy: -692.482413 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -137.728 flat angles C4'-P-C4' energy: -148.541 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -174.740 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: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1849.764188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.764188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.764188 (E_RNA) where: Base-Base interactions energy: -1259.164 where: short stacking energy: -581.347 Base-Backbone interact. energy: -0.305 local terms energy: -590.295043 where: bonds (distance) C4'-P energy: -116.924 bonds (distance) P-C4' energy: -137.356 flat angles C4'-P-C4' energy: -131.675 flat angles P-C4'-P energy: -82.725 tors. eta vs tors. theta energy: -121.615 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: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1766.935292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.935292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.935292 (E_RNA) where: Base-Base interactions energy: -1216.394 where: short stacking energy: -542.131 Base-Backbone interact. energy: -3.307 local terms energy: -547.233862 where: bonds (distance) C4'-P energy: -119.690 bonds (distance) P-C4' energy: -119.734 flat angles C4'-P-C4' energy: -133.979 flat angles P-C4'-P energy: -78.191 tors. eta vs tors. theta energy: -95.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1448.695567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.695567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.695567 (E_RNA) where: Base-Base interactions energy: -935.000 where: short stacking energy: -410.238 Base-Backbone interact. energy: 3.501 local terms energy: -517.196230 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -121.841 flat angles C4'-P-C4' energy: -146.505 flat angles P-C4'-P energy: -91.927 tors. eta vs tors. theta energy: -33.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2967.145805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.145805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.145805 (E_RNA) where: Base-Base interactions energy: -2099.955 where: short stacking energy: -879.948 Base-Backbone interact. energy: -5.266 local terms energy: -861.925140 where: bonds (distance) C4'-P energy: -157.966 bonds (distance) P-C4' energy: -170.322 flat angles C4'-P-C4' energy: -179.681 flat angles P-C4'-P energy: -117.916 tors. eta vs tors. theta energy: -236.041 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: 2, replica: 2 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2955.366471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.366471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.366471 (E_RNA) where: Base-Base interactions energy: -2111.939 where: short stacking energy: -867.784 Base-Backbone interact. energy: -0.962 local terms energy: -842.465986 where: bonds (distance) C4'-P energy: -151.076 bonds (distance) P-C4' energy: -156.808 flat angles C4'-P-C4' energy: -181.756 flat angles P-C4'-P energy: -113.063 tors. eta vs tors. theta energy: -239.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2815.252673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.252673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.252673 (E_RNA) where: Base-Base interactions energy: -2012.757 where: short stacking energy: -839.199 Base-Backbone interact. energy: -3.522 local terms energy: -798.973520 where: bonds (distance) C4'-P energy: -148.899 bonds (distance) P-C4' energy: -142.140 flat angles C4'-P-C4' energy: -174.724 flat angles P-C4'-P energy: -98.352 tors. eta vs tors. theta energy: -234.858 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: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2640.216853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.216853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.216853 (E_RNA) where: Base-Base interactions energy: -1857.249 where: short stacking energy: -790.861 Base-Backbone interact. energy: -5.205 local terms energy: -777.762005 where: bonds (distance) C4'-P energy: -130.415 bonds (distance) P-C4' energy: -160.345 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -106.888 tors. eta vs tors. theta energy: -209.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2578.697406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.697406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.697406 (E_RNA) where: Base-Base interactions energy: -1802.017 where: short stacking energy: -751.734 Base-Backbone interact. energy: -3.948 local terms energy: -772.731841 where: bonds (distance) C4'-P energy: -150.024 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -178.330 flat angles P-C4'-P energy: -108.507 tors. eta vs tors. theta energy: -192.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2411.985829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.985829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.985829 (E_RNA) where: Base-Base interactions energy: -1715.598 where: short stacking energy: -719.786 Base-Backbone interact. energy: 0.025 local terms energy: -696.413364 where: bonds (distance) C4'-P energy: -134.824 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -158.054 flat angles P-C4'-P energy: -83.633 tors. eta vs tors. theta energy: -179.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2265.126118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.126118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.126118 (E_RNA) where: Base-Base interactions energy: -1585.775 where: short stacking energy: -752.544 Base-Backbone interact. energy: 9.750 local terms energy: -689.101455 where: bonds (distance) C4'-P energy: -128.114 bonds (distance) P-C4' energy: -120.491 flat angles C4'-P-C4' energy: -144.275 flat angles P-C4'-P energy: -102.289 tors. eta vs tors. theta energy: -193.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1901.740736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.740736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.740736 (E_RNA) where: Base-Base interactions energy: -1297.778 where: short stacking energy: -533.033 Base-Backbone interact. energy: -0.875 local terms energy: -603.087256 where: bonds (distance) C4'-P energy: -140.241 bonds (distance) P-C4' energy: -132.380 flat angles C4'-P-C4' energy: -123.259 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -122.337 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: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1832.534292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.534292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.534292 (E_RNA) where: Base-Base interactions energy: -1273.339 where: short stacking energy: -556.388 Base-Backbone interact. energy: -5.140 local terms energy: -554.055056 where: bonds (distance) C4'-P energy: -121.105 bonds (distance) P-C4' energy: -117.281 flat angles C4'-P-C4' energy: -149.987 flat angles P-C4'-P energy: -66.831 tors. eta vs tors. theta energy: -98.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1406.115440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.115440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.115440 (E_RNA) where: Base-Base interactions energy: -935.167 where: short stacking energy: -409.229 Base-Backbone interact. energy: 3.276 local terms energy: -474.224944 where: bonds (distance) C4'-P energy: -111.970 bonds (distance) P-C4' energy: -120.739 flat angles C4'-P-C4' energy: -133.899 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: -46.323 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: 287 Temperature: 0.900000 Total energy: -2997.103694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.103694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.103694 (E_RNA) where: Base-Base interactions energy: -2137.781 where: short stacking energy: -926.379 Base-Backbone interact. energy: -4.697 local terms energy: -854.625569 where: bonds (distance) C4'-P energy: -145.583 bonds (distance) P-C4' energy: -156.889 flat angles C4'-P-C4' energy: -190.697 flat angles P-C4'-P energy: -118.275 tors. eta vs tors. theta energy: -243.181 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: 287 Temperature: 0.950000 Total energy: -2922.247139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.247139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.247139 (E_RNA) where: Base-Base interactions energy: -2100.500 where: short stacking energy: -870.344 Base-Backbone interact. energy: 2.608 local terms energy: -824.354500 where: bonds (distance) C4'-P energy: -146.399 bonds (distance) P-C4' energy: -156.105 flat angles C4'-P-C4' energy: -180.327 flat angles P-C4'-P energy: -109.138 tors. eta vs tors. theta energy: -232.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2881.784832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.784832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.784832 (E_RNA) where: Base-Base interactions energy: -2076.943 where: short stacking energy: -859.227 Base-Backbone interact. energy: -0.256 local terms energy: -804.584915 where: bonds (distance) C4'-P energy: -163.331 bonds (distance) P-C4' energy: -144.940 flat angles C4'-P-C4' energy: -170.554 flat angles P-C4'-P energy: -102.582 tors. eta vs tors. theta energy: -223.177 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: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2655.222091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.222091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.222091 (E_RNA) where: Base-Base interactions energy: -1865.438 where: short stacking energy: -787.208 Base-Backbone interact. energy: -3.597 local terms energy: -786.187257 where: bonds (distance) C4'-P energy: -146.977 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -174.980 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -201.997 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: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2496.499295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.499295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.499295 (E_RNA) where: Base-Base interactions energy: -1761.757 where: short stacking energy: -747.085 Base-Backbone interact. energy: -2.438 local terms energy: -732.304182 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -140.292 flat angles C4'-P-C4' energy: -170.050 flat angles P-C4'-P energy: -111.433 tors. eta vs tors. theta energy: -190.989 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: 6, replica: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2387.289408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.289408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.289408 (E_RNA) where: Base-Base interactions energy: -1679.685 where: short stacking energy: -730.842 Base-Backbone interact. energy: -4.419 local terms energy: -703.185099 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -131.274 flat angles C4'-P-C4' energy: -150.417 flat angles P-C4'-P energy: -107.001 tors. eta vs tors. theta energy: -179.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2269.728439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.728439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.728439 (E_RNA) where: Base-Base interactions energy: -1588.951 where: short stacking energy: -691.987 Base-Backbone interact. energy: -3.512 local terms energy: -677.265583 where: bonds (distance) C4'-P energy: -120.991 bonds (distance) P-C4' energy: -125.738 flat angles C4'-P-C4' energy: -164.309 flat angles P-C4'-P energy: -80.979 tors. eta vs tors. theta energy: -185.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1981.244807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.244807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.244807 (E_RNA) where: Base-Base interactions energy: -1366.686 where: short stacking energy: -600.878 Base-Backbone interact. energy: -4.803 local terms energy: -609.755888 where: bonds (distance) C4'-P energy: -138.041 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -147.611 flat angles P-C4'-P energy: -66.974 tors. eta vs tors. theta energy: -133.349 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: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1873.280909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.280909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.280909 (E_RNA) where: Base-Base interactions energy: -1292.790 where: short stacking energy: -558.521 Base-Backbone interact. energy: 6.222 local terms energy: -586.712506 where: bonds (distance) C4'-P energy: -126.809 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -127.800 flat angles P-C4'-P energy: -76.279 tors. eta vs tors. theta energy: -117.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1494.657524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.657524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.657524 (E_RNA) where: Base-Base interactions energy: -986.255 where: short stacking energy: -434.832 Base-Backbone interact. energy: -3.204 local terms energy: -505.198503 where: bonds (distance) C4'-P energy: -106.519 bonds (distance) P-C4' energy: -111.089 flat angles C4'-P-C4' energy: -148.375 flat angles P-C4'-P energy: -64.082 tors. eta vs tors. theta energy: -75.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2978.008005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.008005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.008005 (E_RNA) where: Base-Base interactions energy: -2127.378 where: short stacking energy: -891.926 Base-Backbone interact. energy: -2.708 local terms energy: -847.922676 where: bonds (distance) C4'-P energy: -154.800 bonds (distance) P-C4' energy: -153.188 flat angles C4'-P-C4' energy: -178.270 flat angles P-C4'-P energy: -117.774 tors. eta vs tors. theta energy: -243.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2970.926137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.926137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.926137 (E_RNA) where: Base-Base interactions energy: -2120.079 where: short stacking energy: -890.435 Base-Backbone interact. energy: -2.503 local terms energy: -848.343927 where: bonds (distance) C4'-P energy: -144.932 bonds (distance) P-C4' energy: -161.219 flat angles C4'-P-C4' energy: -182.229 flat angles P-C4'-P energy: -121.670 tors. eta vs tors. theta energy: -238.294 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2887.236467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.236467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.236467 (E_RNA) where: Base-Base interactions energy: -2036.645 where: short stacking energy: -862.503 Base-Backbone interact. energy: 5.509 local terms energy: -856.100336 where: bonds (distance) C4'-P energy: -160.493 bonds (distance) P-C4' energy: -153.330 flat angles C4'-P-C4' energy: -187.247 flat angles P-C4'-P energy: -123.657 tors. eta vs tors. theta energy: -231.372 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: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2629.969998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.969998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.969998 (E_RNA) where: Base-Base interactions energy: -1846.556 where: short stacking energy: -798.453 Base-Backbone interact. energy: -1.277 local terms energy: -782.136997 where: bonds (distance) C4'-P energy: -142.249 bonds (distance) P-C4' energy: -144.858 flat angles C4'-P-C4' energy: -183.637 flat angles P-C4'-P energy: -105.926 tors. eta vs tors. theta energy: -205.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2515.760936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.760936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.760936 (E_RNA) where: Base-Base interactions energy: -1801.920 where: short stacking energy: -749.594 Base-Backbone interact. energy: -2.879 local terms energy: -710.962738 where: bonds (distance) C4'-P energy: -123.571 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -163.296 flat angles P-C4'-P energy: -98.733 tors. eta vs tors. theta energy: -188.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2390.340697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.340697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.340697 (E_RNA) where: Base-Base interactions energy: -1677.683 where: short stacking energy: -698.709 Base-Backbone interact. energy: -5.942 local terms energy: -706.716057 where: bonds (distance) C4'-P energy: -134.401 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -156.502 flat angles P-C4'-P energy: -104.237 tors. eta vs tors. theta energy: -169.492 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: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2219.414828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.414828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.414828 (E_RNA) where: Base-Base interactions energy: -1534.063 where: short stacking energy: -643.196 Base-Backbone interact. energy: -0.592 local terms energy: -684.759623 where: bonds (distance) C4'-P energy: -119.200 bonds (distance) P-C4' energy: -142.236 flat angles C4'-P-C4' energy: -156.060 flat angles P-C4'-P energy: -105.086 tors. eta vs tors. theta energy: -162.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1978.687577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.687577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.687577 (E_RNA) where: Base-Base interactions energy: -1346.354 where: short stacking energy: -595.199 Base-Backbone interact. energy: -2.514 local terms energy: -629.819253 where: bonds (distance) C4'-P energy: -133.742 bonds (distance) P-C4' energy: -131.573 flat angles C4'-P-C4' energy: -133.906 flat angles P-C4'-P energy: -98.441 tors. eta vs tors. theta energy: -132.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1962.267087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.267087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.267087 (E_RNA) where: Base-Base interactions energy: -1366.173 where: short stacking energy: -595.409 Base-Backbone interact. energy: -1.456 local terms energy: -594.638093 where: bonds (distance) C4'-P energy: -133.163 bonds (distance) P-C4' energy: -121.955 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -86.360 tors. eta vs tors. theta energy: -124.576 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: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1521.545008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.545008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.545008 (E_RNA) where: Base-Base interactions energy: -993.543 where: short stacking energy: -425.835 Base-Backbone interact. energy: 4.681 local terms energy: -532.683059 where: bonds (distance) C4'-P energy: -115.980 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -120.840 flat angles P-C4'-P energy: -83.364 tors. eta vs tors. theta energy: -66.964 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: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2994.201617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.201617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.201617 (E_RNA) where: Base-Base interactions energy: -2116.007 where: short stacking energy: -927.435 Base-Backbone interact. energy: -4.396 local terms energy: -873.799607 where: bonds (distance) C4'-P energy: -155.066 bonds (distance) P-C4' energy: -177.139 flat angles C4'-P-C4' energy: -176.248 flat angles P-C4'-P energy: -110.962 tors. eta vs tors. theta energy: -254.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2961.700564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.700564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.700564 (E_RNA) where: Base-Base interactions energy: -2105.781 where: short stacking energy: -908.242 Base-Backbone interact. energy: -3.419 local terms energy: -852.500412 where: bonds (distance) C4'-P energy: -145.485 bonds (distance) P-C4' energy: -155.412 flat angles C4'-P-C4' energy: -189.626 flat angles P-C4'-P energy: -124.062 tors. eta vs tors. theta energy: -237.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2870.796503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.796503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.796503 (E_RNA) where: Base-Base interactions energy: -2053.967 where: short stacking energy: -827.935 Base-Backbone interact. energy: -5.411 local terms energy: -811.418207 where: bonds (distance) C4'-P energy: -139.032 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -164.792 flat angles P-C4'-P energy: -126.914 tors. eta vs tors. theta energy: -225.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2609.959566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.959566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.959566 (E_RNA) where: Base-Base interactions energy: -1842.612 where: short stacking energy: -781.876 Base-Backbone interact. energy: -3.557 local terms energy: -763.790005 where: bonds (distance) C4'-P energy: -137.969 bonds (distance) P-C4' energy: -158.356 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -100.861 tors. eta vs tors. theta energy: -212.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2505.043373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.043373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.043373 (E_RNA) where: Base-Base interactions energy: -1761.422 where: short stacking energy: -759.555 Base-Backbone interact. energy: 0.643 local terms energy: -744.264216 where: bonds (distance) C4'-P energy: -150.374 bonds (distance) P-C4' energy: -139.704 flat angles C4'-P-C4' energy: -161.242 flat angles P-C4'-P energy: -97.437 tors. eta vs tors. theta energy: -195.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2367.265118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.265118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.265118 (E_RNA) where: Base-Base interactions energy: -1659.332 where: short stacking energy: -699.770 Base-Backbone interact. energy: -5.293 local terms energy: -702.639934 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -148.318 flat angles C4'-P-C4' energy: -152.010 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -175.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2251.994219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.994219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.994219 (E_RNA) where: Base-Base interactions energy: -1587.682 where: short stacking energy: -689.300 Base-Backbone interact. energy: -0.989 local terms energy: -663.323667 where: bonds (distance) C4'-P energy: -108.046 bonds (distance) P-C4' energy: -129.604 flat angles C4'-P-C4' energy: -152.495 flat angles P-C4'-P energy: -85.169 tors. eta vs tors. theta energy: -188.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1975.725254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.725254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.725254 (E_RNA) where: Base-Base interactions energy: -1332.264 where: short stacking energy: -602.291 Base-Backbone interact. energy: -4.882 local terms energy: -638.578927 where: bonds (distance) C4'-P energy: -122.326 bonds (distance) P-C4' energy: -136.049 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -140.610 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: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1884.264747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.264747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.264747 (E_RNA) where: Base-Base interactions energy: -1329.452 where: short stacking energy: -589.162 Base-Backbone interact. energy: -4.359 local terms energy: -550.453238 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -118.434 flat angles P-C4'-P energy: -81.503 tors. eta vs tors. theta energy: -121.213 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: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1452.163822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.163822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.163822 (E_RNA) where: Base-Base interactions energy: -957.732 where: short stacking energy: -419.098 Base-Backbone interact. energy: -0.872 local terms energy: -493.559886 where: bonds (distance) C4'-P energy: -105.936 bonds (distance) P-C4' energy: -117.054 flat angles C4'-P-C4' energy: -133.808 flat angles P-C4'-P energy: -79.393 tors. eta vs tors. theta energy: -57.369 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: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2976.861928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.861928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.861928 (E_RNA) where: Base-Base interactions energy: -2110.593 where: short stacking energy: -908.726 Base-Backbone interact. energy: -1.789 local terms energy: -864.480591 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -158.650 flat angles C4'-P-C4' energy: -181.009 flat angles P-C4'-P energy: -115.300 tors. eta vs tors. theta energy: -245.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2956.425990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.425990 (E_RNA) where: Base-Base interactions energy: -2111.519 where: short stacking energy: -882.604 Base-Backbone interact. energy: -2.761 local terms energy: -842.145444 where: bonds (distance) C4'-P energy: -146.634 bonds (distance) P-C4' energy: -157.916 flat angles C4'-P-C4' energy: -182.454 flat angles P-C4'-P energy: -114.249 tors. eta vs tors. theta energy: -240.893 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: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2850.495419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.495419 (E_RNA) where: Base-Base interactions energy: -2046.523 where: short stacking energy: -832.452 Base-Backbone interact. energy: -5.385 local terms energy: -798.586856 where: bonds (distance) C4'-P energy: -135.252 bonds (distance) P-C4' energy: -151.682 flat angles C4'-P-C4' energy: -172.613 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -225.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2605.463081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.463081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.463081 (E_RNA) where: Base-Base interactions energy: -1818.577 where: short stacking energy: -800.266 Base-Backbone interact. energy: 3.539 local terms energy: -790.424476 where: bonds (distance) C4'-P energy: -155.269 bonds (distance) P-C4' energy: -134.635 flat angles C4'-P-C4' energy: -163.016 flat angles P-C4'-P energy: -114.409 tors. eta vs tors. theta energy: -223.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2485.165467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.165467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.165467 (E_RNA) where: Base-Base interactions energy: -1731.462 where: short stacking energy: -743.178 Base-Backbone interact. energy: -3.219 local terms energy: -750.483969 where: bonds (distance) C4'-P energy: -127.537 bonds (distance) P-C4' energy: -147.698 flat angles C4'-P-C4' energy: -169.155 flat angles P-C4'-P energy: -106.765 tors. eta vs tors. theta energy: -199.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2387.316776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.316776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.316776 (E_RNA) where: Base-Base interactions energy: -1680.472 where: short stacking energy: -694.388 Base-Backbone interact. energy: -4.177 local terms energy: -702.667745 where: bonds (distance) C4'-P energy: -137.453 bonds (distance) P-C4' energy: -135.817 flat angles C4'-P-C4' energy: -152.533 flat angles P-C4'-P energy: -105.757 tors. eta vs tors. theta energy: -171.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2239.109731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.109731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.109731 (E_RNA) where: Base-Base interactions energy: -1544.438 where: short stacking energy: -682.408 Base-Backbone interact. energy: -2.970 local terms energy: -691.701402 where: bonds (distance) C4'-P energy: -130.735 bonds (distance) P-C4' energy: -142.717 flat angles C4'-P-C4' energy: -147.300 flat angles P-C4'-P energy: -94.229 tors. eta vs tors. theta energy: -176.720 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: 290 Temperature: 1.250000 Total energy: -1959.160100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.160100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.160100 (E_RNA) where: Base-Base interactions energy: -1327.752 where: short stacking energy: -598.429 Base-Backbone interact. energy: 1.902 local terms energy: -633.310340 where: bonds (distance) C4'-P energy: -133.223 bonds (distance) P-C4' energy: -133.496 flat angles C4'-P-C4' energy: -146.257 flat angles P-C4'-P energy: -82.365 tors. eta vs tors. theta energy: -137.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1826.545903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.545903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.545903 (E_RNA) where: Base-Base interactions energy: -1239.162 where: short stacking energy: -547.158 Base-Backbone interact. energy: -0.873 local terms energy: -586.510902 where: bonds (distance) C4'-P energy: -116.230 bonds (distance) P-C4' energy: -140.366 flat angles C4'-P-C4' energy: -136.155 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -120.084 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: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1474.802637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.802637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.802637 (E_RNA) where: Base-Base interactions energy: -989.148 where: short stacking energy: -436.382 Base-Backbone interact. energy: 1.073 local terms energy: -486.726856 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -105.149 flat angles C4'-P-C4' energy: -122.355 flat angles P-C4'-P energy: -74.465 tors. eta vs tors. theta energy: -71.756 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: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3016.121134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.121134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.121134 (E_RNA) where: Base-Base interactions energy: -2133.980 where: short stacking energy: -903.237 Base-Backbone interact. energy: -6.971 local terms energy: -875.169959 where: bonds (distance) C4'-P energy: -164.781 bonds (distance) P-C4' energy: -158.474 flat angles C4'-P-C4' energy: -194.401 flat angles P-C4'-P energy: -119.999 tors. eta vs tors. theta energy: -237.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2933.244184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.244184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.244184 (E_RNA) where: Base-Base interactions energy: -2090.128 where: short stacking energy: -842.902 Base-Backbone interact. energy: -7.980 local terms energy: -835.136084 where: bonds (distance) C4'-P energy: -153.804 bonds (distance) P-C4' energy: -162.687 flat angles C4'-P-C4' energy: -174.806 flat angles P-C4'-P energy: -115.904 tors. eta vs tors. theta energy: -227.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2898.532305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.532305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.532305 (E_RNA) where: Base-Base interactions energy: -2058.424 where: short stacking energy: -862.784 Base-Backbone interact. energy: -1.175 local terms energy: -838.933066 where: bonds (distance) C4'-P energy: -151.224 bonds (distance) P-C4' energy: -146.341 flat angles C4'-P-C4' energy: -182.520 flat angles P-C4'-P energy: -126.913 tors. eta vs tors. theta energy: -231.936 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: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2606.044500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.044500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.044500 (E_RNA) where: Base-Base interactions energy: -1800.838 where: short stacking energy: -776.031 Base-Backbone interact. energy: -0.075 local terms energy: -805.132056 where: bonds (distance) C4'-P energy: -143.016 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -182.860 flat angles P-C4'-P energy: -121.747 tors. eta vs tors. theta energy: -206.225 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: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2567.079701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.079701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.079701 (E_RNA) where: Base-Base interactions energy: -1831.118 where: short stacking energy: -774.111 Base-Backbone interact. energy: 0.381 local terms energy: -736.342649 where: bonds (distance) C4'-P energy: -131.231 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -151.111 flat angles P-C4'-P energy: -118.613 tors. eta vs tors. theta energy: -197.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2373.529094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.529094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.529094 (E_RNA) where: Base-Base interactions energy: -1650.885 where: short stacking energy: -734.825 Base-Backbone interact. energy: -2.405 local terms energy: -720.238108 where: bonds (distance) C4'-P energy: -119.590 bonds (distance) P-C4' energy: -156.477 flat angles C4'-P-C4' energy: -152.959 flat angles P-C4'-P energy: -93.103 tors. eta vs tors. theta energy: -198.109 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2295.165896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.165896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.165896 (E_RNA) where: Base-Base interactions energy: -1621.022 where: short stacking energy: -676.841 Base-Backbone interact. energy: -0.424 local terms energy: -673.720776 where: bonds (distance) C4'-P energy: -134.213 bonds (distance) P-C4' energy: -122.669 flat angles C4'-P-C4' energy: -146.973 flat angles P-C4'-P energy: -90.196 tors. eta vs tors. theta energy: -179.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2022.430606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.430606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.430606 (E_RNA) where: Base-Base interactions energy: -1380.316 where: short stacking energy: -592.251 Base-Backbone interact. energy: -5.270 local terms energy: -636.844645 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -140.752 flat angles C4'-P-C4' energy: -131.322 flat angles P-C4'-P energy: -96.754 tors. eta vs tors. theta energy: -140.434 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: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1703.482221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.482221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.482221 (E_RNA) where: Base-Base interactions energy: -1142.156 where: short stacking energy: -502.051 Base-Backbone interact. energy: 0.718 local terms energy: -562.044416 where: bonds (distance) C4'-P energy: -116.722 bonds (distance) P-C4' energy: -134.719 flat angles C4'-P-C4' energy: -137.781 flat angles P-C4'-P energy: -81.080 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: 10, replica: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1471.242998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.242998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.242998 (E_RNA) where: Base-Base interactions energy: -1012.157 where: short stacking energy: -455.997 Base-Backbone interact. energy: 0.053 local terms energy: -459.138535 where: bonds (distance) C4'-P energy: -86.457 bonds (distance) P-C4' energy: -128.433 flat angles C4'-P-C4' energy: -115.167 flat angles P-C4'-P energy: -62.436 tors. eta vs tors. theta energy: -66.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2975.065594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.065594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.065594 (E_RNA) where: Base-Base interactions energy: -2122.982 where: short stacking energy: -871.065 Base-Backbone interact. energy: -3.023 local terms energy: -849.061197 where: bonds (distance) C4'-P energy: -155.212 bonds (distance) P-C4' energy: -159.300 flat angles C4'-P-C4' energy: -176.106 flat angles P-C4'-P energy: -123.294 tors. eta vs tors. theta energy: -235.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2917.752750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.752750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.752750 (E_RNA) where: Base-Base interactions energy: -2067.308 where: short stacking energy: -899.645 Base-Backbone interact. energy: -6.144 local terms energy: -844.300622 where: bonds (distance) C4'-P energy: -138.674 bonds (distance) P-C4' energy: -151.868 flat angles C4'-P-C4' energy: -173.411 flat angles P-C4'-P energy: -133.067 tors. eta vs tors. theta energy: -247.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2889.790022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.790022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.790022 (E_RNA) where: Base-Base interactions energy: -2053.340 where: short stacking energy: -848.291 Base-Backbone interact. energy: 0.420 local terms energy: -836.869984 where: bonds (distance) C4'-P energy: -152.817 bonds (distance) P-C4' energy: -164.750 flat angles C4'-P-C4' energy: -180.943 flat angles P-C4'-P energy: -116.090 tors. eta vs tors. theta energy: -222.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2642.152405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.152405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.152405 (E_RNA) where: Base-Base interactions energy: -1863.613 where: short stacking energy: -791.055 Base-Backbone interact. energy: -6.825 local terms energy: -771.714219 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -153.740 flat angles C4'-P-C4' energy: -161.987 flat angles P-C4'-P energy: -116.080 tors. eta vs tors. theta energy: -216.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2619.926222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.926222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.926222 (E_RNA) where: Base-Base interactions energy: -1861.271 where: short stacking energy: -753.993 Base-Backbone interact. energy: -4.065 local terms energy: -754.590179 where: bonds (distance) C4'-P energy: -136.407 bonds (distance) P-C4' energy: -149.894 flat angles C4'-P-C4' energy: -156.321 flat angles P-C4'-P energy: -118.917 tors. eta vs tors. theta energy: -193.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2318.059437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.059437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.059437 (E_RNA) where: Base-Base interactions energy: -1603.433 where: short stacking energy: -704.771 Base-Backbone interact. energy: -2.036 local terms energy: -712.591077 where: bonds (distance) C4'-P energy: -133.013 bonds (distance) P-C4' energy: -131.676 flat angles C4'-P-C4' energy: -157.533 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -185.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2280.468885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.468885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.468885 (E_RNA) where: Base-Base interactions energy: -1607.297 where: short stacking energy: -708.774 Base-Backbone interact. energy: -2.162 local terms energy: -671.010298 where: bonds (distance) C4'-P energy: -130.872 bonds (distance) P-C4' energy: -124.708 flat angles C4'-P-C4' energy: -134.341 flat angles P-C4'-P energy: -111.540 tors. eta vs tors. theta energy: -169.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2029.226165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.226165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.226165 (E_RNA) where: Base-Base interactions energy: -1399.926 where: short stacking energy: -601.021 Base-Backbone interact. energy: -3.615 local terms energy: -625.685166 where: bonds (distance) C4'-P energy: -138.913 bonds (distance) P-C4' energy: -112.166 flat angles C4'-P-C4' energy: -162.609 flat angles P-C4'-P energy: -67.802 tors. eta vs tors. theta energy: -144.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1730.079623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.079623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.079623 (E_RNA) where: Base-Base interactions energy: -1187.646 where: short stacking energy: -525.985 Base-Backbone interact. energy: -1.434 local terms energy: -540.999933 where: bonds (distance) C4'-P energy: -95.322 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -142.403 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -102.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1348.547054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.547054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.547054 (E_RNA) where: Base-Base interactions energy: -856.586 where: short stacking energy: -400.712 Base-Backbone interact. energy: 0.281 local terms energy: -492.241870 where: bonds (distance) C4'-P energy: -105.345 bonds (distance) P-C4' energy: -126.499 flat angles C4'-P-C4' energy: -124.775 flat angles P-C4'-P energy: -77.188 tors. eta vs tors. theta energy: -58.434 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: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2994.946728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.946728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.946728 (E_RNA) where: Base-Base interactions energy: -2143.223 where: short stacking energy: -879.428 Base-Backbone interact. energy: -5.611 local terms energy: -846.112821 where: bonds (distance) C4'-P energy: -154.640 bonds (distance) P-C4' energy: -155.468 flat angles C4'-P-C4' energy: -189.911 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -235.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2912.138417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.138417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.138417 (E_RNA) where: Base-Base interactions energy: -2085.322 where: short stacking energy: -855.498 Base-Backbone interact. energy: 0.401 local terms energy: -827.217524 where: bonds (distance) C4'-P energy: -150.127 bonds (distance) P-C4' energy: -153.201 flat angles C4'-P-C4' energy: -184.148 flat angles P-C4'-P energy: -131.403 tors. eta vs tors. theta energy: -208.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2844.291244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.291244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.291244 (E_RNA) where: Base-Base interactions energy: -1988.398 where: short stacking energy: -851.022 Base-Backbone interact. energy: -1.646 local terms energy: -854.247429 where: bonds (distance) C4'-P energy: -150.132 bonds (distance) P-C4' energy: -157.027 flat angles C4'-P-C4' energy: -174.791 flat angles P-C4'-P energy: -123.496 tors. eta vs tors. theta energy: -248.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2697.334771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.334771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.334771 (E_RNA) where: Base-Base interactions energy: -1928.510 where: short stacking energy: -805.938 Base-Backbone interact. energy: -3.507 local terms energy: -765.317458 where: bonds (distance) C4'-P energy: -149.110 bonds (distance) P-C4' energy: -154.201 flat angles C4'-P-C4' energy: -176.749 flat angles P-C4'-P energy: -87.154 tors. eta vs tors. theta energy: -198.104 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: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2542.883309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.883309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.883309 (E_RNA) where: Base-Base interactions energy: -1781.368 where: short stacking energy: -766.728 Base-Backbone interact. energy: -0.407 local terms energy: -761.108565 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -143.733 flat angles C4'-P-C4' energy: -163.249 flat angles P-C4'-P energy: -113.606 tors. eta vs tors. theta energy: -202.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2352.797865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.797865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.797865 (E_RNA) where: Base-Base interactions energy: -1604.848 where: short stacking energy: -726.407 Base-Backbone interact. energy: 0.318 local terms energy: -748.267817 where: bonds (distance) C4'-P energy: -157.409 bonds (distance) P-C4' energy: -124.684 flat angles C4'-P-C4' energy: -172.577 flat angles P-C4'-P energy: -109.728 tors. eta vs tors. theta energy: -183.869 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: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2282.909300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.909300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.909300 (E_RNA) where: Base-Base interactions energy: -1628.004 where: short stacking energy: -654.472 Base-Backbone interact. energy: 0.215 local terms energy: -655.120165 where: bonds (distance) C4'-P energy: -134.216 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -143.257 flat angles P-C4'-P energy: -86.376 tors. eta vs tors. theta energy: -161.676 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: 293 Temperature: 1.250000 Total energy: -2079.152967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.152967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.152967 (E_RNA) where: Base-Base interactions energy: -1435.433 where: short stacking energy: -641.308 Base-Backbone interact. energy: -2.795 local terms energy: -640.924609 where: bonds (distance) C4'-P energy: -132.082 bonds (distance) P-C4' energy: -133.223 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -146.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1784.327718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.327718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.327718 (E_RNA) where: Base-Base interactions energy: -1229.983 where: short stacking energy: -511.946 Base-Backbone interact. energy: 3.417 local terms energy: -557.762129 where: bonds (distance) C4'-P energy: -123.328 bonds (distance) P-C4' energy: -133.976 flat angles C4'-P-C4' energy: -134.548 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -78.444 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: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1295.039067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.039067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.039067 (E_RNA) where: Base-Base interactions energy: -802.868 where: short stacking energy: -393.768 Base-Backbone interact. energy: 3.600 local terms energy: -495.770801 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -136.279 flat angles C4'-P-C4' energy: -113.655 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -43.725 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: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3025.876486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.876486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.876486 (E_RNA) where: Base-Base interactions energy: -2150.223 where: short stacking energy: -896.444 Base-Backbone interact. energy: -2.627 local terms energy: -873.026109 where: bonds (distance) C4'-P energy: -156.698 bonds (distance) P-C4' energy: -157.899 flat angles C4'-P-C4' energy: -184.921 flat angles P-C4'-P energy: -130.138 tors. eta vs tors. theta energy: -243.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2964.499021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.499021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.499021 (E_RNA) where: Base-Base interactions energy: -2096.092 where: short stacking energy: -855.923 Base-Backbone interact. energy: 1.520 local terms energy: -869.926999 where: bonds (distance) C4'-P energy: -157.475 bonds (distance) P-C4' energy: -152.728 flat angles C4'-P-C4' energy: -195.027 flat angles P-C4'-P energy: -140.535 tors. eta vs tors. theta energy: -224.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2877.780191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.780191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.780191 (E_RNA) where: Base-Base interactions energy: -2013.624 where: short stacking energy: -874.855 Base-Backbone interact. energy: -5.173 local terms energy: -858.983509 where: bonds (distance) C4'-P energy: -159.666 bonds (distance) P-C4' energy: -165.877 flat angles C4'-P-C4' energy: -178.320 flat angles P-C4'-P energy: -109.559 tors. eta vs tors. theta energy: -245.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2719.230668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.230668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.230668 (E_RNA) where: Base-Base interactions energy: -1931.733 where: short stacking energy: -824.200 Base-Backbone interact. energy: -3.149 local terms energy: -784.348593 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -163.779 flat angles P-C4'-P energy: -111.721 tors. eta vs tors. theta energy: -225.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2541.198804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.198804 (E_RNA) where: Base-Base interactions energy: -1807.899 where: short stacking energy: -782.080 Base-Backbone interact. energy: -0.566 local terms energy: -732.734021 where: bonds (distance) C4'-P energy: -134.693 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -151.300 flat angles P-C4'-P energy: -114.388 tors. eta vs tors. theta energy: -200.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2295.478404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.478404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.478404 (E_RNA) where: Base-Base interactions energy: -1579.714 where: short stacking energy: -673.507 Base-Backbone interact. energy: -0.115 local terms energy: -715.649741 where: bonds (distance) C4'-P energy: -141.128 bonds (distance) P-C4' energy: -160.842 flat angles C4'-P-C4' energy: -150.429 flat angles P-C4'-P energy: -92.884 tors. eta vs tors. theta energy: -170.367 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: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2263.876897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.876897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.876897 (E_RNA) where: Base-Base interactions energy: -1592.380 where: short stacking energy: -675.120 Base-Backbone interact. energy: -7.125 local terms energy: -664.371042 where: bonds (distance) C4'-P energy: -124.815 bonds (distance) P-C4' energy: -133.922 flat angles C4'-P-C4' energy: -153.929 flat angles P-C4'-P energy: -94.368 tors. eta vs tors. theta energy: -157.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2007.347009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.347009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.347009 (E_RNA) where: Base-Base interactions energy: -1373.013 where: short stacking energy: -607.358 Base-Backbone interact. energy: -3.378 local terms energy: -630.955984 where: bonds (distance) C4'-P energy: -110.365 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -162.189 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -145.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1769.567684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.567684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.567684 (E_RNA) where: Base-Base interactions energy: -1212.341 where: short stacking energy: -517.788 Base-Backbone interact. energy: 0.215 local terms energy: -557.442203 where: bonds (distance) C4'-P energy: -118.114 bonds (distance) P-C4' energy: -118.980 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -95.233 tors. eta vs tors. theta energy: -80.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1278.065571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.065571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.065571 (E_RNA) where: Base-Base interactions energy: -815.326 where: short stacking energy: -357.334 Base-Backbone interact. energy: 1.027 local terms energy: -463.766388 where: bonds (distance) C4'-P energy: -126.785 bonds (distance) P-C4' energy: -123.604 flat angles C4'-P-C4' energy: -131.358 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2994.979808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.979808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.979808 (E_RNA) where: Base-Base interactions energy: -2142.742 where: short stacking energy: -881.159 Base-Backbone interact. energy: -2.492 local terms energy: -849.745353 where: bonds (distance) C4'-P energy: -154.708 bonds (distance) P-C4' energy: -165.629 flat angles C4'-P-C4' energy: -186.536 flat angles P-C4'-P energy: -111.558 tors. eta vs tors. theta energy: -231.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2962.917036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.917036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.917036 (E_RNA) where: Base-Base interactions energy: -2116.180 where: short stacking energy: -849.225 Base-Backbone interact. energy: -3.127 local terms energy: -843.609508 where: bonds (distance) C4'-P energy: -139.509 bonds (distance) P-C4' energy: -165.403 flat angles C4'-P-C4' energy: -194.537 flat angles P-C4'-P energy: -117.063 tors. eta vs tors. theta energy: -227.096 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2875.050429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.050429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.050429 (E_RNA) where: Base-Base interactions energy: -2026.670 where: short stacking energy: -884.818 Base-Backbone interact. energy: -5.552 local terms energy: -842.828067 where: bonds (distance) C4'-P energy: -153.702 bonds (distance) P-C4' energy: -146.393 flat angles C4'-P-C4' energy: -172.615 flat angles P-C4'-P energy: -118.577 tors. eta vs tors. theta energy: -251.541 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: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2733.137068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.137068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.137068 (E_RNA) where: Base-Base interactions energy: -1947.507 where: short stacking energy: -821.141 Base-Backbone interact. energy: -6.767 local terms energy: -778.862897 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -176.964 flat angles P-C4'-P energy: -117.930 tors. eta vs tors. theta energy: -211.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2522.478333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.478333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.478333 (E_RNA) where: Base-Base interactions energy: -1770.960 where: short stacking energy: -748.807 Base-Backbone interact. energy: -3.052 local terms energy: -748.466683 where: bonds (distance) C4'-P energy: -138.640 bonds (distance) P-C4' energy: -136.348 flat angles C4'-P-C4' energy: -171.062 flat angles P-C4'-P energy: -102.824 tors. eta vs tors. theta energy: -199.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2319.045776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.045776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.045776 (E_RNA) where: Base-Base interactions energy: -1619.109 where: short stacking energy: -673.554 Base-Backbone interact. energy: 3.667 local terms energy: -703.603390 where: bonds (distance) C4'-P energy: -148.602 bonds (distance) P-C4' energy: -143.225 flat angles C4'-P-C4' energy: -154.814 flat angles P-C4'-P energy: -83.955 tors. eta vs tors. theta energy: -173.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2250.114167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.114167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.114167 (E_RNA) where: Base-Base interactions energy: -1575.252 where: short stacking energy: -693.980 Base-Backbone interact. energy: -1.332 local terms energy: -673.530197 where: bonds (distance) C4'-P energy: -129.242 bonds (distance) P-C4' energy: -130.671 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -96.370 tors. eta vs tors. theta energy: -171.603 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -2009.703641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.703641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.703641 (E_RNA) where: Base-Base interactions energy: -1376.165 where: short stacking energy: -623.572 Base-Backbone interact. energy: -4.202 local terms energy: -629.336679 where: bonds (distance) C4'-P energy: -113.523 bonds (distance) P-C4' energy: -128.930 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -152.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1710.516810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.516810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.516810 (E_RNA) where: Base-Base interactions energy: -1190.454 where: short stacking energy: -501.483 Base-Backbone interact. energy: -2.638 local terms energy: -517.425269 where: bonds (distance) C4'-P energy: -119.521 bonds (distance) P-C4' energy: -102.158 flat angles C4'-P-C4' energy: -126.596 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -100.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1277.961217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.961217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.961217 (E_RNA) where: Base-Base interactions energy: -802.839 where: short stacking energy: -376.031 Base-Backbone interact. energy: -3.682 local terms energy: -471.440578 where: bonds (distance) C4'-P energy: -117.195 bonds (distance) P-C4' energy: -132.018 flat angles C4'-P-C4' energy: -115.549 flat angles P-C4'-P energy: -62.727 tors. eta vs tors. theta energy: -43.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3039.530557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.530557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.530557 (E_RNA) where: Base-Base interactions energy: -2164.531 where: short stacking energy: -898.870 Base-Backbone interact. energy: -0.893 local terms energy: -874.107458 where: bonds (distance) C4'-P energy: -163.550 bonds (distance) P-C4' energy: -160.193 flat angles C4'-P-C4' energy: -187.924 flat angles P-C4'-P energy: -115.437 tors. eta vs tors. theta energy: -247.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2939.058292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.058292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.058292 (E_RNA) where: Base-Base interactions energy: -2116.626 where: short stacking energy: -886.188 Base-Backbone interact. energy: -1.909 local terms energy: -820.523129 where: bonds (distance) C4'-P energy: -144.253 bonds (distance) P-C4' energy: -148.348 flat angles C4'-P-C4' energy: -180.449 flat angles P-C4'-P energy: -127.974 tors. eta vs tors. theta energy: -219.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2871.525583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.525583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.525583 (E_RNA) where: Base-Base interactions energy: -2026.137 where: short stacking energy: -879.231 Base-Backbone interact. energy: -3.637 local terms energy: -841.751485 where: bonds (distance) C4'-P energy: -136.499 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -182.802 flat angles P-C4'-P energy: -122.989 tors. eta vs tors. theta energy: -255.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2732.431138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.431138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.431138 (E_RNA) where: Base-Base interactions energy: -1936.963 where: short stacking energy: -838.605 Base-Backbone interact. energy: -6.276 local terms energy: -789.191487 where: bonds (distance) C4'-P energy: -136.925 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -171.420 flat angles P-C4'-P energy: -125.832 tors. eta vs tors. theta energy: -215.309 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: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2470.378698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.378698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.378698 (E_RNA) where: Base-Base interactions energy: -1729.323 where: short stacking energy: -710.359 Base-Backbone interact. energy: -2.254 local terms energy: -738.801674 where: bonds (distance) C4'-P energy: -148.418 bonds (distance) P-C4' energy: -141.925 flat angles C4'-P-C4' energy: -168.159 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -178.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2317.984522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.984522 (E_RNA) where: Base-Base interactions energy: -1613.433 where: short stacking energy: -692.002 Base-Backbone interact. energy: -1.024 local terms energy: -703.527893 where: bonds (distance) C4'-P energy: -125.964 bonds (distance) P-C4' energy: -149.876 flat angles C4'-P-C4' energy: -153.637 flat angles P-C4'-P energy: -105.813 tors. eta vs tors. theta energy: -168.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2260.313137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.313137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.313137 (E_RNA) where: Base-Base interactions energy: -1564.423 where: short stacking energy: -628.770 Base-Backbone interact. energy: -1.415 local terms energy: -694.475262 where: bonds (distance) C4'-P energy: -133.281 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -156.561 flat angles P-C4'-P energy: -100.630 tors. eta vs tors. theta energy: -171.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2006.236500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.236500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.236500 (E_RNA) where: Base-Base interactions energy: -1380.092 where: short stacking energy: -588.565 Base-Backbone interact. energy: -5.204 local terms energy: -620.940259 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -145.120 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -76.779 tors. eta vs tors. theta energy: -129.042 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: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1730.931228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.931228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.931228 (E_RNA) where: Base-Base interactions energy: -1152.988 where: short stacking energy: -478.719 Base-Backbone interact. energy: 1.292 local terms energy: -579.235545 where: bonds (distance) C4'-P energy: -122.488 bonds (distance) P-C4' energy: -140.275 flat angles C4'-P-C4' energy: -139.722 flat angles P-C4'-P energy: -93.315 tors. eta vs tors. theta energy: -83.436 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: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1318.852695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.852695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.852695 (E_RNA) where: Base-Base interactions energy: -830.210 where: short stacking energy: -396.803 Base-Backbone interact. energy: -0.004 local terms energy: -488.638683 where: bonds (distance) C4'-P energy: -128.259 bonds (distance) P-C4' energy: -119.715 flat angles C4'-P-C4' energy: -127.585 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -59.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3035.354880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.354880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.354880 (E_RNA) where: Base-Base interactions energy: -2176.128 where: short stacking energy: -916.653 Base-Backbone interact. energy: -5.897 local terms energy: -853.330705 where: bonds (distance) C4'-P energy: -150.448 bonds (distance) P-C4' energy: -163.098 flat angles C4'-P-C4' energy: -184.917 flat angles P-C4'-P energy: -107.836 tors. eta vs tors. theta energy: -247.031 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2937.353879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.353879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.353879 (E_RNA) where: Base-Base interactions energy: -2100.239 where: short stacking energy: -874.743 Base-Backbone interact. energy: 0.464 local terms energy: -837.579421 where: bonds (distance) C4'-P energy: -152.040 bonds (distance) P-C4' energy: -148.490 flat angles C4'-P-C4' energy: -180.204 flat angles P-C4'-P energy: -119.501 tors. eta vs tors. theta energy: -237.345 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: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2866.313828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.313828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.313828 (E_RNA) where: Base-Base interactions energy: -2023.054 where: short stacking energy: -859.343 Base-Backbone interact. energy: -3.663 local terms energy: -839.597106 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -167.938 flat angles C4'-P-C4' energy: -173.082 flat angles P-C4'-P energy: -115.763 tors. eta vs tors. theta energy: -246.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2742.397458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.397458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.397458 (E_RNA) where: Base-Base interactions energy: -1956.201 where: short stacking energy: -815.859 Base-Backbone interact. energy: -2.862 local terms energy: -783.334326 where: bonds (distance) C4'-P energy: -137.132 bonds (distance) P-C4' energy: -143.763 flat angles C4'-P-C4' energy: -169.672 flat angles P-C4'-P energy: -119.111 tors. eta vs tors. theta energy: -213.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2549.498884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.498884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.498884 (E_RNA) where: Base-Base interactions energy: -1794.581 where: short stacking energy: -764.995 Base-Backbone interact. energy: -2.366 local terms energy: -752.552090 where: bonds (distance) C4'-P energy: -137.976 bonds (distance) P-C4' energy: -140.472 flat angles C4'-P-C4' energy: -177.080 flat angles P-C4'-P energy: -109.257 tors. eta vs tors. theta energy: -187.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2320.664177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.664177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.664177 (E_RNA) where: Base-Base interactions energy: -1590.846 where: short stacking energy: -659.393 Base-Backbone interact. energy: -2.358 local terms energy: -727.459413 where: bonds (distance) C4'-P energy: -137.715 bonds (distance) P-C4' energy: -143.473 flat angles C4'-P-C4' energy: -171.739 flat angles P-C4'-P energy: -104.148 tors. eta vs tors. theta energy: -170.384 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: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2318.558086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.558086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.558086 (E_RNA) where: Base-Base interactions energy: -1621.097 where: short stacking energy: -692.382 Base-Backbone interact. energy: -3.952 local terms energy: -693.508668 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -136.863 flat angles C4'-P-C4' energy: -157.124 flat angles P-C4'-P energy: -80.845 tors. eta vs tors. theta energy: -180.882 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: 297 Temperature: 1.250000 Total energy: -1994.432794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.432794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.432794 (E_RNA) where: Base-Base interactions energy: -1373.966 where: short stacking energy: -598.508 Base-Backbone interact. energy: -1.927 local terms energy: -618.539760 where: bonds (distance) C4'-P energy: -116.530 bonds (distance) P-C4' energy: -146.997 flat angles C4'-P-C4' energy: -136.829 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -119.087 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: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1721.196956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.196956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.196956 (E_RNA) where: Base-Base interactions energy: -1136.331 where: short stacking energy: -470.431 Base-Backbone interact. energy: 3.566 local terms energy: -588.431683 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -138.294 flat angles C4'-P-C4' energy: -145.529 flat angles P-C4'-P energy: -95.307 tors. eta vs tors. theta energy: -89.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1246.847342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.847342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.847342 (E_RNA) where: Base-Base interactions energy: -758.280 where: short stacking energy: -383.987 Base-Backbone interact. energy: -2.303 local terms energy: -486.264649 where: bonds (distance) C4'-P energy: -103.996 bonds (distance) P-C4' energy: -110.400 flat angles C4'-P-C4' energy: -135.554 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -37.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3023.008882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.008882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.008882 (E_RNA) where: Base-Base interactions energy: -2165.793 where: short stacking energy: -878.992 Base-Backbone interact. energy: -1.925 local terms energy: -855.290833 where: bonds (distance) C4'-P energy: -163.680 bonds (distance) P-C4' energy: -159.421 flat angles C4'-P-C4' energy: -180.781 flat angles P-C4'-P energy: -107.642 tors. eta vs tors. theta energy: -243.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2923.918970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.918970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.918970 (E_RNA) where: Base-Base interactions energy: -2054.301 where: short stacking energy: -867.296 Base-Backbone interact. energy: -3.375 local terms energy: -866.243027 where: bonds (distance) C4'-P energy: -163.637 bonds (distance) P-C4' energy: -159.314 flat angles C4'-P-C4' energy: -186.340 flat angles P-C4'-P energy: -132.203 tors. eta vs tors. theta energy: -224.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2825.217838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.217838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.217838 (E_RNA) where: Base-Base interactions energy: -1977.229 where: short stacking energy: -849.026 Base-Backbone interact. energy: -3.329 local terms energy: -844.659816 where: bonds (distance) C4'-P energy: -154.204 bonds (distance) P-C4' energy: -147.842 flat angles C4'-P-C4' energy: -170.742 flat angles P-C4'-P energy: -129.837 tors. eta vs tors. theta energy: -242.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2709.489473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.489473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.489473 (E_RNA) where: Base-Base interactions energy: -1919.925 where: short stacking energy: -785.192 Base-Backbone interact. energy: 4.434 local terms energy: -793.998590 where: bonds (distance) C4'-P energy: -153.220 bonds (distance) P-C4' energy: -156.630 flat angles C4'-P-C4' energy: -172.377 flat angles P-C4'-P energy: -104.028 tors. eta vs tors. theta energy: -207.744 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: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2473.740577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.740577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.740577 (E_RNA) where: Base-Base interactions energy: -1754.175 where: short stacking energy: -722.655 Base-Backbone interact. energy: -3.381 local terms energy: -716.184655 where: bonds (distance) C4'-P energy: -150.398 bonds (distance) P-C4' energy: -139.435 flat angles C4'-P-C4' energy: -144.354 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -180.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2318.288887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.288887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.288887 (E_RNA) where: Base-Base interactions energy: -1613.035 where: short stacking energy: -712.909 Base-Backbone interact. energy: -4.591 local terms energy: -700.662819 where: bonds (distance) C4'-P energy: -127.309 bonds (distance) P-C4' energy: -140.525 flat angles C4'-P-C4' energy: -145.528 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -185.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2266.495444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.495444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.495444 (E_RNA) where: Base-Base interactions energy: -1561.166 where: short stacking energy: -679.607 Base-Backbone interact. energy: 4.597 local terms energy: -709.926191 where: bonds (distance) C4'-P energy: -131.670 bonds (distance) P-C4' energy: -140.727 flat angles C4'-P-C4' energy: -167.035 flat angles P-C4'-P energy: -88.983 tors. eta vs tors. theta energy: -181.512 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: 298 Temperature: 1.250000 Total energy: -2022.990854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.990854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.990854 (E_RNA) where: Base-Base interactions energy: -1387.664 where: short stacking energy: -588.879 Base-Backbone interact. energy: -6.306 local terms energy: -629.020992 where: bonds (distance) C4'-P energy: -130.832 bonds (distance) P-C4' energy: -120.801 flat angles C4'-P-C4' energy: -147.897 flat angles P-C4'-P energy: -92.952 tors. eta vs tors. theta energy: -136.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1798.847306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.847306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.847306 (E_RNA) where: Base-Base interactions energy: -1225.296 where: short stacking energy: -531.103 Base-Backbone interact. energy: -1.445 local terms energy: -572.106262 where: bonds (distance) C4'-P energy: -120.103 bonds (distance) P-C4' energy: -128.454 flat angles C4'-P-C4' energy: -126.437 flat angles P-C4'-P energy: -89.628 tors. eta vs tors. theta energy: -107.484 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: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1285.749602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.749602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.749602 (E_RNA) where: Base-Base interactions energy: -803.691 where: short stacking energy: -380.843 Base-Backbone interact. energy: -2.013 local terms energy: -480.045016 where: bonds (distance) C4'-P energy: -119.604 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -129.858 flat angles P-C4'-P energy: -72.138 tors. eta vs tors. theta energy: -27.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3031.798183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.798183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.798183 (E_RNA) where: Base-Base interactions energy: -2143.795 where: short stacking energy: -885.150 Base-Backbone interact. energy: -5.164 local terms energy: -882.839197 where: bonds (distance) C4'-P energy: -164.941 bonds (distance) P-C4' energy: -174.754 flat angles C4'-P-C4' energy: -182.327 flat angles P-C4'-P energy: -114.455 tors. eta vs tors. theta energy: -246.363 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: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2931.562019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.562019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.562019 (E_RNA) where: Base-Base interactions energy: -2065.652 where: short stacking energy: -846.731 Base-Backbone interact. energy: -3.539 local terms energy: -862.370988 where: bonds (distance) C4'-P energy: -173.687 bonds (distance) P-C4' energy: -165.943 flat angles C4'-P-C4' energy: -176.628 flat angles P-C4'-P energy: -123.277 tors. eta vs tors. theta energy: -222.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2864.808868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.808868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.808868 (E_RNA) where: Base-Base interactions energy: -2022.749 where: short stacking energy: -876.687 Base-Backbone interact. energy: -5.696 local terms energy: -836.364084 where: bonds (distance) C4'-P energy: -147.842 bonds (distance) P-C4' energy: -146.896 flat angles C4'-P-C4' energy: -173.959 flat angles P-C4'-P energy: -117.231 tors. eta vs tors. theta energy: -250.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2715.711507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.711507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.711507 (E_RNA) where: Base-Base interactions energy: -1950.452 where: short stacking energy: -807.001 Base-Backbone interact. energy: -4.723 local terms energy: -760.536641 where: bonds (distance) C4'-P energy: -136.163 bonds (distance) P-C4' energy: -147.752 flat angles C4'-P-C4' energy: -158.055 flat angles P-C4'-P energy: -111.909 tors. eta vs tors. theta energy: -206.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2486.687088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.687088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.687088 (E_RNA) where: Base-Base interactions energy: -1741.469 where: short stacking energy: -740.386 Base-Backbone interact. energy: -2.791 local terms energy: -742.426426 where: bonds (distance) C4'-P energy: -131.779 bonds (distance) P-C4' energy: -142.960 flat angles C4'-P-C4' energy: -170.131 flat angles P-C4'-P energy: -109.137 tors. eta vs tors. theta energy: -188.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2386.659958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.659958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.659958 (E_RNA) where: Base-Base interactions energy: -1678.358 where: short stacking energy: -709.827 Base-Backbone interact. energy: -1.540 local terms energy: -706.762433 where: bonds (distance) C4'-P energy: -123.495 bonds (distance) P-C4' energy: -157.396 flat angles C4'-P-C4' energy: -145.845 flat angles P-C4'-P energy: -103.670 tors. eta vs tors. theta energy: -176.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2230.077121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.077121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.077121 (E_RNA) where: Base-Base interactions energy: -1539.160 where: short stacking energy: -666.304 Base-Backbone interact. energy: -2.402 local terms energy: -688.515299 where: bonds (distance) C4'-P energy: -119.590 bonds (distance) P-C4' energy: -142.423 flat angles C4'-P-C4' energy: -168.738 flat angles P-C4'-P energy: -93.001 tors. eta vs tors. theta energy: -164.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1980.486301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.486301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.486301 (E_RNA) where: Base-Base interactions energy: -1362.040 where: short stacking energy: -613.677 Base-Backbone interact. energy: -1.888 local terms energy: -616.558387 where: bonds (distance) C4'-P energy: -107.923 bonds (distance) P-C4' energy: -133.934 flat angles C4'-P-C4' energy: -154.838 flat angles P-C4'-P energy: -86.526 tors. eta vs tors. theta energy: -133.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1848.927228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.927228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.927228 (E_RNA) where: Base-Base interactions energy: -1234.787 where: short stacking energy: -530.818 Base-Backbone interact. energy: -1.232 local terms energy: -612.908526 where: bonds (distance) C4'-P energy: -123.544 bonds (distance) P-C4' energy: -141.359 flat angles C4'-P-C4' energy: -152.981 flat angles P-C4'-P energy: -81.414 tors. eta vs tors. theta energy: -113.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1258.096633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.096633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.096633 (E_RNA) where: Base-Base interactions energy: -803.086 where: short stacking energy: -384.673 Base-Backbone interact. energy: -3.662 local terms energy: -451.349497 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -117.428 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -78.650 tors. eta vs tors. theta energy: -37.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3046.155823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.155823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.155823 (E_RNA) where: Base-Base interactions energy: -2179.584 where: short stacking energy: -922.219 Base-Backbone interact. energy: -3.036 local terms energy: -863.536489 where: bonds (distance) C4'-P energy: -155.251 bonds (distance) P-C4' energy: -162.024 flat angles C4'-P-C4' energy: -178.485 flat angles P-C4'-P energy: -117.726 tors. eta vs tors. theta energy: -250.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2928.913853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.913853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.913853 (E_RNA) where: Base-Base interactions energy: -2072.069 where: short stacking energy: -863.760 Base-Backbone interact. energy: -3.628 local terms energy: -853.217216 where: bonds (distance) C4'-P energy: -157.104 bonds (distance) P-C4' energy: -157.056 flat angles C4'-P-C4' energy: -176.928 flat angles P-C4'-P energy: -130.714 tors. eta vs tors. theta energy: -231.416 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: 300 Temperature: 1.000000 Total energy: -2831.809836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.809836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.809836 (E_RNA) where: Base-Base interactions energy: -1975.413 where: short stacking energy: -853.706 Base-Backbone interact. energy: -0.431 local terms energy: -855.965605 where: bonds (distance) C4'-P energy: -147.966 bonds (distance) P-C4' energy: -155.361 flat angles C4'-P-C4' energy: -184.749 flat angles P-C4'-P energy: -124.989 tors. eta vs tors. theta energy: -242.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2692.797222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.797222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.797222 (E_RNA) where: Base-Base interactions energy: -1909.460 where: short stacking energy: -797.904 Base-Backbone interact. energy: -1.931 local terms energy: -781.406606 where: bonds (distance) C4'-P energy: -149.327 bonds (distance) P-C4' energy: -144.687 flat angles C4'-P-C4' energy: -164.363 flat angles P-C4'-P energy: -100.143 tors. eta vs tors. theta energy: -222.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2491.088354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.088354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.088354 (E_RNA) where: Base-Base interactions energy: -1779.894 where: short stacking energy: -745.595 Base-Backbone interact. energy: -0.574 local terms energy: -710.620359 where: bonds (distance) C4'-P energy: -125.747 bonds (distance) P-C4' energy: -138.616 flat angles C4'-P-C4' energy: -163.481 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -175.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2356.222967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.222967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.222967 (E_RNA) where: Base-Base interactions energy: -1656.565 where: short stacking energy: -707.070 Base-Backbone interact. energy: 6.190 local terms energy: -705.848104 where: bonds (distance) C4'-P energy: -140.760 bonds (distance) P-C4' energy: -134.759 flat angles C4'-P-C4' energy: -162.531 flat angles P-C4'-P energy: -85.539 tors. eta vs tors. theta energy: -182.259 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: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2233.339719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.339719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.339719 (E_RNA) where: Base-Base interactions energy: -1572.138 where: short stacking energy: -667.948 Base-Backbone interact. energy: -0.810 local terms energy: -660.391585 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -132.668 flat angles C4'-P-C4' energy: -133.873 flat angles P-C4'-P energy: -105.414 tors. eta vs tors. theta energy: -176.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1997.514282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.514282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.514282 (E_RNA) where: Base-Base interactions energy: -1382.892 where: short stacking energy: -548.353 Base-Backbone interact. energy: -3.845 local terms energy: -610.777479 where: bonds (distance) C4'-P energy: -142.488 bonds (distance) P-C4' energy: -132.195 flat angles C4'-P-C4' energy: -155.036 flat angles P-C4'-P energy: -71.691 tors. eta vs tors. theta energy: -109.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1821.510726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.510726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.510726 (E_RNA) where: Base-Base interactions energy: -1237.292 where: short stacking energy: -527.055 Base-Backbone interact. energy: 2.937 local terms energy: -587.156396 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -136.140 flat angles C4'-P-C4' energy: -124.178 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -117.920 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: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1336.569637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.569637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.569637 (E_RNA) where: Base-Base interactions energy: -831.603 where: short stacking energy: -394.112 Base-Backbone interact. energy: -3.106 local terms energy: -501.859938 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -124.032 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -65.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3044.764032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.764032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.764032 (E_RNA) where: Base-Base interactions energy: -2175.350 where: short stacking energy: -910.593 Base-Backbone interact. energy: -2.986 local terms energy: -866.428679 where: bonds (distance) C4'-P energy: -152.769 bonds (distance) P-C4' energy: -183.968 flat angles C4'-P-C4' energy: -176.786 flat angles P-C4'-P energy: -109.613 tors. eta vs tors. theta energy: -243.292 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: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2945.818165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.818165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.818165 (E_RNA) where: Base-Base interactions energy: -2113.031 where: short stacking energy: -883.469 Base-Backbone interact. energy: -4.698 local terms energy: -828.088887 where: bonds (distance) C4'-P energy: -131.226 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -177.638 flat angles P-C4'-P energy: -126.768 tors. eta vs tors. theta energy: -240.565 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: 301 Temperature: 1.000000 Total energy: -2864.918161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.918161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.918161 (E_RNA) where: Base-Base interactions energy: -2028.438 where: short stacking energy: -887.421 Base-Backbone interact. energy: -6.342 local terms energy: -830.137531 where: bonds (distance) C4'-P energy: -142.898 bonds (distance) P-C4' energy: -152.196 flat angles C4'-P-C4' energy: -166.903 flat angles P-C4'-P energy: -118.254 tors. eta vs tors. theta energy: -249.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2706.873862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.873862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.873862 (E_RNA) where: Base-Base interactions energy: -1918.403 where: short stacking energy: -830.613 Base-Backbone interact. energy: -1.809 local terms energy: -786.662424 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -143.503 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -130.444 tors. eta vs tors. theta energy: -215.432 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: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2476.497464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.497464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.497464 (E_RNA) where: Base-Base interactions energy: -1734.595 where: short stacking energy: -695.530 Base-Backbone interact. energy: -1.570 local terms energy: -740.332778 where: bonds (distance) C4'-P energy: -140.987 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -153.937 flat angles P-C4'-P energy: -110.099 tors. eta vs tors. theta energy: -175.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2413.649052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.649052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.649052 (E_RNA) where: Base-Base interactions energy: -1701.784 where: short stacking energy: -741.032 Base-Backbone interact. energy: -3.392 local terms energy: -708.472885 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -199.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2255.991994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.991994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.991994 (E_RNA) where: Base-Base interactions energy: -1574.932 where: short stacking energy: -671.866 Base-Backbone interact. energy: -1.754 local terms energy: -679.306545 where: bonds (distance) C4'-P energy: -127.427 bonds (distance) P-C4' energy: -144.414 flat angles C4'-P-C4' energy: -154.870 flat angles P-C4'-P energy: -92.263 tors. eta vs tors. theta energy: -160.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -2067.606200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.606200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.606200 (E_RNA) where: Base-Base interactions energy: -1423.356 where: short stacking energy: -595.689 Base-Backbone interact. energy: -1.015 local terms energy: -643.235234 where: bonds (distance) C4'-P energy: -132.734 bonds (distance) P-C4' energy: -114.389 flat angles C4'-P-C4' energy: -151.077 flat angles P-C4'-P energy: -100.756 tors. eta vs tors. theta energy: -144.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1814.392851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.392851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.392851 (E_RNA) where: Base-Base interactions energy: -1261.762 where: short stacking energy: -547.568 Base-Backbone interact. energy: -0.771 local terms energy: -551.859798 where: bonds (distance) C4'-P energy: -127.460 bonds (distance) P-C4' energy: -115.223 flat angles C4'-P-C4' energy: -127.838 flat angles P-C4'-P energy: -77.321 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: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1271.881358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.881358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.881358 (E_RNA) where: Base-Base interactions energy: -799.255 where: short stacking energy: -383.485 Base-Backbone interact. energy: -0.161 local terms energy: -472.465142 where: bonds (distance) C4'-P energy: -128.112 bonds (distance) P-C4' energy: -137.581 flat angles C4'-P-C4' energy: -102.660 flat angles P-C4'-P energy: -59.990 tors. eta vs tors. theta energy: -44.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3010.172010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.172010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.172010 (E_RNA) where: Base-Base interactions energy: -2140.196 where: short stacking energy: -906.465 Base-Backbone interact. energy: -5.133 local terms energy: -864.843051 where: bonds (distance) C4'-P energy: -162.362 bonds (distance) P-C4' energy: -163.204 flat angles C4'-P-C4' energy: -185.579 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -238.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2937.690409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.690409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.690409 (E_RNA) where: Base-Base interactions energy: -2092.239 where: short stacking energy: -859.942 Base-Backbone interact. energy: -2.189 local terms energy: -843.261783 where: bonds (distance) C4'-P energy: -153.694 bonds (distance) P-C4' energy: -160.520 flat angles C4'-P-C4' energy: -187.399 flat angles P-C4'-P energy: -114.955 tors. eta vs tors. theta energy: -226.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2862.355471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.355471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.355471 (E_RNA) where: Base-Base interactions energy: -1998.470 where: short stacking energy: -899.378 Base-Backbone interact. energy: -5.484 local terms energy: -858.401750 where: bonds (distance) C4'-P energy: -156.788 bonds (distance) P-C4' energy: -156.187 flat angles C4'-P-C4' energy: -173.175 flat angles P-C4'-P energy: -115.036 tors. eta vs tors. theta energy: -257.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2726.999379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.999379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.999379 (E_RNA) where: Base-Base interactions energy: -1909.836 where: short stacking energy: -813.655 Base-Backbone interact. energy: -3.964 local terms energy: -813.199580 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -162.950 flat angles C4'-P-C4' energy: -185.160 flat angles P-C4'-P energy: -117.314 tors. eta vs tors. theta energy: -216.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2467.843724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.843724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.843724 (E_RNA) where: Base-Base interactions energy: -1743.944 where: short stacking energy: -708.256 Base-Backbone interact. energy: -2.547 local terms energy: -721.352915 where: bonds (distance) C4'-P energy: -125.415 bonds (distance) P-C4' energy: -155.721 flat angles C4'-P-C4' energy: -157.221 flat angles P-C4'-P energy: -113.715 tors. eta vs tors. theta energy: -169.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2380.849746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.849746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.849746 (E_RNA) where: Base-Base interactions energy: -1700.659 where: short stacking energy: -727.296 Base-Backbone interact. energy: -0.572 local terms energy: -679.618613 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -122.117 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -106.990 tors. eta vs tors. theta energy: -181.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2241.117851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.117851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.117851 (E_RNA) where: Base-Base interactions energy: -1529.329 where: short stacking energy: -669.608 Base-Backbone interact. energy: -2.717 local terms energy: -709.071810 where: bonds (distance) C4'-P energy: -132.858 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -156.861 flat angles P-C4'-P energy: -115.661 tors. eta vs tors. theta energy: -164.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2072.273046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.273046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.273046 (E_RNA) where: Base-Base interactions energy: -1477.464 where: short stacking energy: -661.581 Base-Backbone interact. energy: 0.986 local terms energy: -595.794301 where: bonds (distance) C4'-P energy: -114.078 bonds (distance) P-C4' energy: -125.060 flat angles C4'-P-C4' energy: -140.141 flat angles P-C4'-P energy: -77.745 tors. eta vs tors. theta energy: -138.770 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: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1772.895616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.895616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.895616 (E_RNA) where: Base-Base interactions energy: -1201.963 where: short stacking energy: -524.152 Base-Backbone interact. energy: -5.205 local terms energy: -565.727201 where: bonds (distance) C4'-P energy: -116.142 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -124.894 flat angles P-C4'-P energy: -75.578 tors. eta vs tors. theta energy: -116.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1375.663305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.663305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.663305 (E_RNA) where: Base-Base interactions energy: -898.350 where: short stacking energy: -431.112 Base-Backbone interact. energy: 11.865 local terms energy: -489.178355 where: bonds (distance) C4'-P energy: -113.523 bonds (distance) P-C4' energy: -144.666 flat angles C4'-P-C4' energy: -121.361 flat angles P-C4'-P energy: -51.924 tors. eta vs tors. theta energy: -57.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3031.149047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.149047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.149047 (E_RNA) where: Base-Base interactions energy: -2162.236 where: short stacking energy: -898.250 Base-Backbone interact. energy: -8.805 local terms energy: -860.108370 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -165.513 flat angles C4'-P-C4' energy: -186.796 flat angles P-C4'-P energy: -115.856 tors. eta vs tors. theta energy: -243.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2957.380507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.380507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.380507 (E_RNA) where: Base-Base interactions energy: -2108.836 where: short stacking energy: -894.648 Base-Backbone interact. energy: -1.564 local terms energy: -846.980847 where: bonds (distance) C4'-P energy: -146.278 bonds (distance) P-C4' energy: -160.860 flat angles C4'-P-C4' energy: -184.252 flat angles P-C4'-P energy: -113.699 tors. eta vs tors. theta energy: -241.892 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: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2843.332771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.332771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.332771 (E_RNA) where: Base-Base interactions energy: -2026.729 where: short stacking energy: -873.646 Base-Backbone interact. energy: 0.570 local terms energy: -817.174127 where: bonds (distance) C4'-P energy: -137.921 bonds (distance) P-C4' energy: -149.593 flat angles C4'-P-C4' energy: -173.797 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -250.163 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: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2726.268735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.268735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.268735 (E_RNA) where: Base-Base interactions energy: -1936.325 where: short stacking energy: -832.877 Base-Backbone interact. energy: -2.884 local terms energy: -787.059451 where: bonds (distance) C4'-P energy: -150.411 bonds (distance) P-C4' energy: -149.620 flat angles C4'-P-C4' energy: -164.626 flat angles P-C4'-P energy: -103.514 tors. eta vs tors. theta energy: -218.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2516.668136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.668136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.668136 (E_RNA) where: Base-Base interactions energy: -1781.003 where: short stacking energy: -751.506 Base-Backbone interact. energy: 1.066 local terms energy: -736.730913 where: bonds (distance) C4'-P energy: -152.230 bonds (distance) P-C4' energy: -151.563 flat angles C4'-P-C4' energy: -147.469 flat angles P-C4'-P energy: -105.289 tors. eta vs tors. theta energy: -180.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2382.218495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.218495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.218495 (E_RNA) where: Base-Base interactions energy: -1655.693 where: short stacking energy: -724.964 Base-Backbone interact. energy: -5.387 local terms energy: -721.138402 where: bonds (distance) C4'-P energy: -144.706 bonds (distance) P-C4' energy: -143.411 flat angles C4'-P-C4' energy: -153.101 flat angles P-C4'-P energy: -100.528 tors. eta vs tors. theta energy: -179.394 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: 303 Temperature: 1.200000 Total energy: -2127.346683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.346683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.346683 (E_RNA) where: Base-Base interactions energy: -1492.794 where: short stacking energy: -664.982 Base-Backbone interact. energy: -2.196 local terms energy: -632.356643 where: bonds (distance) C4'-P energy: -112.484 bonds (distance) P-C4' energy: -110.798 flat angles C4'-P-C4' energy: -159.989 flat angles P-C4'-P energy: -89.642 tors. eta vs tors. theta energy: -159.444 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: 303 Temperature: 1.250000 Total energy: -2130.439468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.439468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.439468 (E_RNA) where: Base-Base interactions energy: -1449.484 where: short stacking energy: -647.086 Base-Backbone interact. energy: -2.362 local terms energy: -678.593354 where: bonds (distance) C4'-P energy: -129.357 bonds (distance) P-C4' energy: -148.551 flat angles C4'-P-C4' energy: -144.712 flat angles P-C4'-P energy: -94.701 tors. eta vs tors. theta energy: -161.272 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: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1800.216474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.216474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.216474 (E_RNA) where: Base-Base interactions energy: -1248.590 where: short stacking energy: -535.190 Base-Backbone interact. energy: -0.569 local terms energy: -551.057837 where: bonds (distance) C4'-P energy: -104.557 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -125.110 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -117.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1421.970001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.970001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.970001 (E_RNA) where: Base-Base interactions energy: -912.625 where: short stacking energy: -407.153 Base-Backbone interact. energy: -2.239 local terms energy: -507.106832 where: bonds (distance) C4'-P energy: -127.945 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -124.350 flat angles P-C4'-P energy: -82.700 tors. eta vs tors. theta energy: -62.936 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: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3045.342970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.342970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.342970 (E_RNA) where: Base-Base interactions energy: -2160.525 where: short stacking energy: -907.068 Base-Backbone interact. energy: -6.749 local terms energy: -878.068568 where: bonds (distance) C4'-P energy: -150.269 bonds (distance) P-C4' energy: -163.287 flat angles C4'-P-C4' energy: -194.747 flat angles P-C4'-P energy: -122.144 tors. eta vs tors. theta energy: -247.622 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: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2958.951231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.951231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.951231 (E_RNA) where: Base-Base interactions energy: -2121.753 where: short stacking energy: -907.630 Base-Backbone interact. energy: 1.519 local terms energy: -838.717221 where: bonds (distance) C4'-P energy: -158.266 bonds (distance) P-C4' energy: -159.717 flat angles C4'-P-C4' energy: -174.257 flat angles P-C4'-P energy: -116.767 tors. eta vs tors. theta energy: -229.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2827.751527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.751527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.751527 (E_RNA) where: Base-Base interactions energy: -1978.563 where: short stacking energy: -873.654 Base-Backbone interact. energy: -5.983 local terms energy: -843.205794 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -152.128 flat angles C4'-P-C4' energy: -185.789 flat angles P-C4'-P energy: -119.610 tors. eta vs tors. theta energy: -242.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2663.334273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.334273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.334273 (E_RNA) where: Base-Base interactions energy: -1887.491 where: short stacking energy: -784.876 Base-Backbone interact. energy: -1.313 local terms energy: -774.530108 where: bonds (distance) C4'-P energy: -153.870 bonds (distance) P-C4' energy: -139.246 flat angles C4'-P-C4' energy: -166.009 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -204.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2488.678546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.678546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.678546 (E_RNA) where: Base-Base interactions energy: -1739.282 where: short stacking energy: -739.267 Base-Backbone interact. energy: -1.609 local terms energy: -747.787596 where: bonds (distance) C4'-P energy: -140.169 bonds (distance) P-C4' energy: -139.741 flat angles C4'-P-C4' energy: -162.612 flat angles P-C4'-P energy: -111.806 tors. eta vs tors. theta energy: -193.460 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: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2368.691382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.691382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.691382 (E_RNA) where: Base-Base interactions energy: -1674.046 where: short stacking energy: -710.537 Base-Backbone interact. energy: -2.806 local terms energy: -691.840004 where: bonds (distance) C4'-P energy: -128.804 bonds (distance) P-C4' energy: -122.568 flat angles C4'-P-C4' energy: -149.136 flat angles P-C4'-P energy: -108.629 tors. eta vs tors. theta energy: -182.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2147.317033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.317033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.317033 (E_RNA) where: Base-Base interactions energy: -1438.225 where: short stacking energy: -646.849 Base-Backbone interact. energy: -0.457 local terms energy: -708.635318 where: bonds (distance) C4'-P energy: -131.601 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -150.952 flat angles P-C4'-P energy: -112.722 tors. eta vs tors. theta energy: -171.469 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: 304 Temperature: 1.250000 Total energy: -2091.218776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.218776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.218776 (E_RNA) where: Base-Base interactions energy: -1476.567 where: short stacking energy: -653.206 Base-Backbone interact. energy: 1.694 local terms energy: -616.345872 where: bonds (distance) C4'-P energy: -112.728 bonds (distance) P-C4' energy: -126.633 flat angles C4'-P-C4' energy: -144.404 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -159.320 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: 9, replica: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1881.381303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.381303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.381303 (E_RNA) where: Base-Base interactions energy: -1281.558 where: short stacking energy: -536.390 Base-Backbone interact. energy: 8.537 local terms energy: -608.360135 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -138.570 flat angles C4'-P-C4' energy: -141.570 flat angles P-C4'-P energy: -98.156 tors. eta vs tors. theta energy: -106.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1521.213060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.213060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.213060 (E_RNA) where: Base-Base interactions energy: -971.811 where: short stacking energy: -435.884 Base-Backbone interact. energy: 2.733 local terms energy: -552.135458 where: bonds (distance) C4'-P energy: -120.630 bonds (distance) P-C4' energy: -131.737 flat angles C4'-P-C4' energy: -133.066 flat angles P-C4'-P energy: -80.507 tors. eta vs tors. theta energy: -86.197 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: 305 Temperature: 0.900000 Total energy: -3069.421508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.421508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.421508 (E_RNA) where: Base-Base interactions energy: -2232.986 where: short stacking energy: -940.360 Base-Backbone interact. energy: -5.557 local terms energy: -830.877902 where: bonds (distance) C4'-P energy: -160.009 bonds (distance) P-C4' energy: -145.614 flat angles C4'-P-C4' energy: -187.701 flat angles P-C4'-P energy: -94.021 tors. eta vs tors. theta energy: -243.533 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: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2946.107510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.107510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.107510 (E_RNA) where: Base-Base interactions energy: -2122.333 where: short stacking energy: -901.125 Base-Backbone interact. energy: 0.609 local terms energy: -824.382880 where: bonds (distance) C4'-P energy: -154.206 bonds (distance) P-C4' energy: -143.072 flat angles C4'-P-C4' energy: -181.045 flat angles P-C4'-P energy: -107.858 tors. eta vs tors. theta energy: -238.202 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: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2837.196399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.196399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.196399 (E_RNA) where: Base-Base interactions energy: -2008.981 where: short stacking energy: -872.584 Base-Backbone interact. energy: -1.704 local terms energy: -826.510956 where: bonds (distance) C4'-P energy: -158.395 bonds (distance) P-C4' energy: -146.678 flat angles C4'-P-C4' energy: -172.049 flat angles P-C4'-P energy: -104.641 tors. eta vs tors. theta energy: -244.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2711.275688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.275688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.275688 (E_RNA) where: Base-Base interactions energy: -1930.270 where: short stacking energy: -812.031 Base-Backbone interact. energy: -3.377 local terms energy: -777.628755 where: bonds (distance) C4'-P energy: -146.985 bonds (distance) P-C4' energy: -138.482 flat angles C4'-P-C4' energy: -161.771 flat angles P-C4'-P energy: -110.369 tors. eta vs tors. theta energy: -220.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2466.464518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.464518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.464518 (E_RNA) where: Base-Base interactions energy: -1756.471 where: short stacking energy: -713.238 Base-Backbone interact. energy: -3.189 local terms energy: -706.804890 where: bonds (distance) C4'-P energy: -116.986 bonds (distance) P-C4' energy: -166.693 flat angles C4'-P-C4' energy: -163.214 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -167.418 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: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2466.616408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.616408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.616408 (E_RNA) where: Base-Base interactions energy: -1740.221 where: short stacking energy: -760.727 Base-Backbone interact. energy: 3.354 local terms energy: -729.749559 where: bonds (distance) C4'-P energy: -122.375 bonds (distance) P-C4' energy: -146.026 flat angles C4'-P-C4' energy: -155.410 flat angles P-C4'-P energy: -107.973 tors. eta vs tors. theta energy: -197.965 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: 305 Temperature: 1.200000 Total energy: -2168.629138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.629138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.629138 (E_RNA) where: Base-Base interactions energy: -1505.405 where: short stacking energy: -656.799 Base-Backbone interact. energy: -0.788 local terms energy: -662.436529 where: bonds (distance) C4'-P energy: -145.807 bonds (distance) P-C4' energy: -112.000 flat angles C4'-P-C4' energy: -141.794 flat angles P-C4'-P energy: -91.386 tors. eta vs tors. theta energy: -171.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -2006.887002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.887002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.887002 (E_RNA) where: Base-Base interactions energy: -1377.176 where: short stacking energy: -591.323 Base-Backbone interact. energy: -2.666 local terms energy: -627.044851 where: bonds (distance) C4'-P energy: -110.410 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -156.527 flat angles P-C4'-P energy: -90.887 tors. eta vs tors. theta energy: -135.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1821.304475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.304475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.304475 (E_RNA) where: Base-Base interactions energy: -1258.405 where: short stacking energy: -563.014 Base-Backbone interact. energy: -1.221 local terms energy: -561.679002 where: bonds (distance) C4'-P energy: -122.896 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -125.836 flat angles P-C4'-P energy: -72.756 tors. eta vs tors. theta energy: -116.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1584.274537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.274537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.274537 (E_RNA) where: Base-Base interactions energy: -1066.550 where: short stacking energy: -476.093 Base-Backbone interact. energy: 0.451 local terms energy: -518.175094 where: bonds (distance) C4'-P energy: -113.598 bonds (distance) P-C4' energy: -124.467 flat angles C4'-P-C4' energy: -122.719 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -89.962 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: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3033.580918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.580918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.580918 (E_RNA) where: Base-Base interactions energy: -2173.379 where: short stacking energy: -926.688 Base-Backbone interact. energy: -6.131 local terms energy: -854.070807 where: bonds (distance) C4'-P energy: -150.135 bonds (distance) P-C4' energy: -163.021 flat angles C4'-P-C4' energy: -181.676 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -250.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2938.909901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.909901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.909901 (E_RNA) where: Base-Base interactions energy: -2062.978 where: short stacking energy: -883.366 Base-Backbone interact. energy: 1.100 local terms energy: -877.031364 where: bonds (distance) C4'-P energy: -150.626 bonds (distance) P-C4' energy: -162.956 flat angles C4'-P-C4' energy: -194.687 flat angles P-C4'-P energy: -129.014 tors. eta vs tors. theta energy: -239.748 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: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2834.527039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.527039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.527039 (E_RNA) where: Base-Base interactions energy: -2020.530 where: short stacking energy: -895.206 Base-Backbone interact. energy: 7.162 local terms energy: -821.158378 where: bonds (distance) C4'-P energy: -129.555 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -170.230 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -249.437 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: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2744.640348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.640348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.640348 (E_RNA) where: Base-Base interactions energy: -1920.954 where: short stacking energy: -802.803 Base-Backbone interact. energy: -6.431 local terms energy: -817.254871 where: bonds (distance) C4'-P energy: -145.512 bonds (distance) P-C4' energy: -153.567 flat angles C4'-P-C4' energy: -182.031 flat angles P-C4'-P energy: -120.838 tors. eta vs tors. theta energy: -215.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2495.609907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.609907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.609907 (E_RNA) where: Base-Base interactions energy: -1771.305 where: short stacking energy: -736.132 Base-Backbone interact. energy: -2.738 local terms energy: -721.566601 where: bonds (distance) C4'-P energy: -121.817 bonds (distance) P-C4' energy: -146.896 flat angles C4'-P-C4' energy: -166.528 flat angles P-C4'-P energy: -108.430 tors. eta vs tors. theta energy: -177.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2390.394280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.394280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.394280 (E_RNA) where: Base-Base interactions energy: -1663.702 where: short stacking energy: -733.584 Base-Backbone interact. energy: -3.040 local terms energy: -723.651487 where: bonds (distance) C4'-P energy: -148.686 bonds (distance) P-C4' energy: -134.278 flat angles C4'-P-C4' energy: -155.830 flat angles P-C4'-P energy: -96.402 tors. eta vs tors. theta energy: -188.456 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: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2270.965579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.965579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.965579 (E_RNA) where: Base-Base interactions energy: -1573.817 where: short stacking energy: -670.641 Base-Backbone interact. energy: -0.083 local terms energy: -697.064753 where: bonds (distance) C4'-P energy: -119.507 bonds (distance) P-C4' energy: -147.279 flat angles C4'-P-C4' energy: -164.656 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -163.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1991.638315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.638315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.638315 (E_RNA) where: Base-Base interactions energy: -1355.644 where: short stacking energy: -634.194 Base-Backbone interact. energy: 6.799 local terms energy: -642.793809 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -124.235 flat angles C4'-P-C4' energy: -155.377 flat angles P-C4'-P energy: -81.578 tors. eta vs tors. theta energy: -143.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1832.877239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.877239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.877239 (E_RNA) where: Base-Base interactions energy: -1259.112 where: short stacking energy: -545.260 Base-Backbone interact. energy: -0.133 local terms energy: -573.632646 where: bonds (distance) C4'-P energy: -139.512 bonds (distance) P-C4' energy: -130.397 flat angles C4'-P-C4' energy: -129.567 flat angles P-C4'-P energy: -46.885 tors. eta vs tors. theta energy: -127.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1522.214600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.214600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.214600 (E_RNA) where: Base-Base interactions energy: -1025.100 where: short stacking energy: -446.588 Base-Backbone interact. energy: -1.084 local terms energy: -496.030335 where: bonds (distance) C4'-P energy: -116.458 bonds (distance) P-C4' energy: -124.667 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -78.099 tors. eta vs tors. theta energy: -54.810 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: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3041.973578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.973578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.973578 (E_RNA) where: Base-Base interactions energy: -2189.657 where: short stacking energy: -902.194 Base-Backbone interact. energy: -5.385 local terms energy: -846.930846 where: bonds (distance) C4'-P energy: -145.422 bonds (distance) P-C4' energy: -162.621 flat angles C4'-P-C4' energy: -183.397 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -242.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2948.318647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.318647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.318647 (E_RNA) where: Base-Base interactions energy: -2118.056 where: short stacking energy: -897.517 Base-Backbone interact. energy: -3.886 local terms energy: -826.376926 where: bonds (distance) C4'-P energy: -154.103 bonds (distance) P-C4' energy: -135.784 flat angles C4'-P-C4' energy: -182.105 flat angles P-C4'-P energy: -115.416 tors. eta vs tors. theta energy: -238.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2858.584513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.584513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.584513 (E_RNA) where: Base-Base interactions energy: -2041.562 where: short stacking energy: -883.389 Base-Backbone interact. energy: -3.028 local terms energy: -813.995197 where: bonds (distance) C4'-P energy: -145.400 bonds (distance) P-C4' energy: -144.229 flat angles C4'-P-C4' energy: -183.425 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -237.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2701.162847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.162847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.162847 (E_RNA) where: Base-Base interactions energy: -1915.588 where: short stacking energy: -813.865 Base-Backbone interact. energy: -2.694 local terms energy: -782.881591 where: bonds (distance) C4'-P energy: -140.363 bonds (distance) P-C4' energy: -140.226 flat angles C4'-P-C4' energy: -171.001 flat angles P-C4'-P energy: -114.656 tors. eta vs tors. theta energy: -216.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2498.133603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.133603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.133603 (E_RNA) where: Base-Base interactions energy: -1761.057 where: short stacking energy: -742.698 Base-Backbone interact. energy: -1.701 local terms energy: -735.374879 where: bonds (distance) C4'-P energy: -133.479 bonds (distance) P-C4' energy: -134.208 flat angles C4'-P-C4' energy: -166.246 flat angles P-C4'-P energy: -115.190 tors. eta vs tors. theta energy: -186.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2339.871385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.871385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.871385 (E_RNA) where: Base-Base interactions energy: -1614.649 where: short stacking energy: -686.710 Base-Backbone interact. energy: 0.821 local terms energy: -726.043642 where: bonds (distance) C4'-P energy: -147.735 bonds (distance) P-C4' energy: -158.551 flat angles C4'-P-C4' energy: -159.220 flat angles P-C4'-P energy: -93.939 tors. eta vs tors. theta energy: -166.599 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: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2173.166879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.166879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.166879 (E_RNA) where: Base-Base interactions energy: -1499.148 where: short stacking energy: -645.507 Base-Backbone interact. energy: 0.204 local terms energy: -674.222799 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -160.632 flat angles C4'-P-C4' energy: -140.615 flat angles P-C4'-P energy: -85.865 tors. eta vs tors. theta energy: -155.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1974.493834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.493834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.493834 (E_RNA) where: Base-Base interactions energy: -1352.666 where: short stacking energy: -619.360 Base-Backbone interact. energy: -1.780 local terms energy: -620.047458 where: bonds (distance) C4'-P energy: -115.298 bonds (distance) P-C4' energy: -134.215 flat angles C4'-P-C4' energy: -139.281 flat angles P-C4'-P energy: -83.799 tors. eta vs tors. theta energy: -147.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1862.468861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.468861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.468861 (E_RNA) where: Base-Base interactions energy: -1277.124 where: short stacking energy: -562.023 Base-Backbone interact. energy: -4.747 local terms energy: -580.597862 where: bonds (distance) C4'-P energy: -110.005 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -122.597 flat angles P-C4'-P energy: -81.868 tors. eta vs tors. theta energy: -139.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1542.281060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.281060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.281060 (E_RNA) where: Base-Base interactions energy: -1023.198 where: short stacking energy: -431.234 Base-Backbone interact. energy: -1.507 local terms energy: -517.576164 where: bonds (distance) C4'-P energy: -133.668 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -111.643 flat angles P-C4'-P energy: -78.953 tors. eta vs tors. theta energy: -71.143 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: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3050.229652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.229652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.229652 (E_RNA) where: Base-Base interactions energy: -2189.863 where: short stacking energy: -915.142 Base-Backbone interact. energy: -10.140 local terms energy: -850.226518 where: bonds (distance) C4'-P energy: -146.626 bonds (distance) P-C4' energy: -165.705 flat angles C4'-P-C4' energy: -180.041 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -246.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2928.067167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.067167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.067167 (E_RNA) where: Base-Base interactions energy: -2075.282 where: short stacking energy: -887.850 Base-Backbone interact. energy: -3.221 local terms energy: -849.563959 where: bonds (distance) C4'-P energy: -148.255 bonds (distance) P-C4' energy: -145.085 flat angles C4'-P-C4' energy: -189.930 flat angles P-C4'-P energy: -127.160 tors. eta vs tors. theta energy: -239.134 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: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2841.676836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.676836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.676836 (E_RNA) where: Base-Base interactions energy: -2034.011 where: short stacking energy: -859.235 Base-Backbone interact. energy: -4.677 local terms energy: -802.988429 where: bonds (distance) C4'-P energy: -146.205 bonds (distance) P-C4' energy: -141.239 flat angles C4'-P-C4' energy: -169.384 flat angles P-C4'-P energy: -102.136 tors. eta vs tors. theta energy: -244.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2706.478628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.478628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.478628 (E_RNA) where: Base-Base interactions energy: -1922.390 where: short stacking energy: -819.956 Base-Backbone interact. energy: -2.875 local terms energy: -781.214476 where: bonds (distance) C4'-P energy: -146.251 bonds (distance) P-C4' energy: -150.359 flat angles C4'-P-C4' energy: -161.593 flat angles P-C4'-P energy: -108.741 tors. eta vs tors. theta energy: -214.271 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: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2571.489262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.489262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.489262 (E_RNA) where: Base-Base interactions energy: -1793.879 where: short stacking energy: -731.748 Base-Backbone interact. energy: -6.433 local terms energy: -771.178108 where: bonds (distance) C4'-P energy: -148.720 bonds (distance) P-C4' energy: -164.639 flat angles C4'-P-C4' energy: -161.000 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -194.520 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: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2378.435653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.435653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.435653 (E_RNA) where: Base-Base interactions energy: -1686.066 where: short stacking energy: -716.743 Base-Backbone interact. energy: -1.192 local terms energy: -691.178190 where: bonds (distance) C4'-P energy: -117.924 bonds (distance) P-C4' energy: -141.942 flat angles C4'-P-C4' energy: -156.293 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -175.480 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2212.237119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.237119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.237119 (E_RNA) where: Base-Base interactions energy: -1561.380 where: short stacking energy: -705.716 Base-Backbone interact. energy: 2.580 local terms energy: -653.437826 where: bonds (distance) C4'-P energy: -121.619 bonds (distance) P-C4' energy: -122.090 flat angles C4'-P-C4' energy: -142.728 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -173.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2018.283462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.283462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.283462 (E_RNA) where: Base-Base interactions energy: -1362.427 where: short stacking energy: -583.941 Base-Backbone interact. energy: 0.232 local terms energy: -656.088283 where: bonds (distance) C4'-P energy: -133.363 bonds (distance) P-C4' energy: -120.419 flat angles C4'-P-C4' energy: -155.449 flat angles P-C4'-P energy: -101.349 tors. eta vs tors. theta energy: -145.508 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: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1847.042499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.042499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.042499 (E_RNA) where: Base-Base interactions energy: -1279.208 where: short stacking energy: -544.405 Base-Backbone interact. energy: -3.241 local terms energy: -564.593428 where: bonds (distance) C4'-P energy: -131.512 bonds (distance) P-C4' energy: -103.543 flat angles C4'-P-C4' energy: -123.241 flat angles P-C4'-P energy: -89.820 tors. eta vs tors. theta energy: -116.477 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: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1515.750829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.750829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.750829 (E_RNA) where: Base-Base interactions energy: -1029.982 where: short stacking energy: -439.345 Base-Backbone interact. energy: -2.351 local terms energy: -483.417990 where: bonds (distance) C4'-P energy: -111.358 bonds (distance) P-C4' energy: -129.388 flat angles C4'-P-C4' energy: -121.404 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -62.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3038.042853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.042853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.042853 (E_RNA) where: Base-Base interactions energy: -2195.740 where: short stacking energy: -911.358 Base-Backbone interact. energy: -5.104 local terms energy: -837.199663 where: bonds (distance) C4'-P energy: -143.222 bonds (distance) P-C4' energy: -149.676 flat angles C4'-P-C4' energy: -180.220 flat angles P-C4'-P energy: -116.934 tors. eta vs tors. theta energy: -247.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2937.190574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.190574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.190574 (E_RNA) where: Base-Base interactions energy: -2072.419 where: short stacking energy: -862.435 Base-Backbone interact. energy: 0.706 local terms energy: -865.477800 where: bonds (distance) C4'-P energy: -149.217 bonds (distance) P-C4' energy: -165.250 flat angles C4'-P-C4' energy: -186.747 flat angles P-C4'-P energy: -121.689 tors. eta vs tors. theta energy: -242.575 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: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2848.613087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.613087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.613087 (E_RNA) where: Base-Base interactions energy: -1996.956 where: short stacking energy: -843.852 Base-Backbone interact. energy: -2.624 local terms energy: -849.033533 where: bonds (distance) C4'-P energy: -148.673 bonds (distance) P-C4' energy: -149.883 flat angles C4'-P-C4' energy: -186.325 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -243.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2557.144848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.144848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.144848 (E_RNA) where: Base-Base interactions energy: -1819.487 where: short stacking energy: -767.405 Base-Backbone interact. energy: -3.202 local terms energy: -734.455635 where: bonds (distance) C4'-P energy: -137.082 bonds (distance) P-C4' energy: -123.327 flat angles C4'-P-C4' energy: -173.480 flat angles P-C4'-P energy: -109.054 tors. eta vs tors. theta energy: -191.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2583.864523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.864523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.864523 (E_RNA) where: Base-Base interactions energy: -1817.434 where: short stacking energy: -779.473 Base-Backbone interact. energy: -3.329 local terms energy: -763.101282 where: bonds (distance) C4'-P energy: -152.562 bonds (distance) P-C4' energy: -157.494 flat angles C4'-P-C4' energy: -156.279 flat angles P-C4'-P energy: -100.759 tors. eta vs tors. theta energy: -196.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2443.855955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.855955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.855955 (E_RNA) where: Base-Base interactions energy: -1723.049 where: short stacking energy: -730.692 Base-Backbone interact. energy: 2.187 local terms energy: -722.994040 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -137.762 flat angles C4'-P-C4' energy: -151.417 flat angles P-C4'-P energy: -110.938 tors. eta vs tors. theta energy: -193.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2189.290244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.290244 (E_RNA) where: Base-Base interactions energy: -1517.679 where: short stacking energy: -670.062 Base-Backbone interact. energy: 0.088 local terms energy: -671.699250 where: bonds (distance) C4'-P energy: -123.305 bonds (distance) P-C4' energy: -131.116 flat angles C4'-P-C4' energy: -147.496 flat angles P-C4'-P energy: -100.736 tors. eta vs tors. theta energy: -169.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1960.536385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.536385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.536385 (E_RNA) where: Base-Base interactions energy: -1336.478 where: short stacking energy: -593.998 Base-Backbone interact. energy: -1.024 local terms energy: -623.034852 where: bonds (distance) C4'-P energy: -135.639 bonds (distance) P-C4' energy: -131.103 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -136.023 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: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1893.716513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.716513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.716513 (E_RNA) where: Base-Base interactions energy: -1307.685 where: short stacking energy: -544.653 Base-Backbone interact. energy: -3.905 local terms energy: -582.126153 where: bonds (distance) C4'-P energy: -117.146 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -143.744 flat angles P-C4'-P energy: -86.662 tors. eta vs tors. theta energy: -109.270 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: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1481.439925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.439925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.439925 (E_RNA) where: Base-Base interactions energy: -959.569 where: short stacking energy: -409.157 Base-Backbone interact. energy: -2.266 local terms energy: -519.605294 where: bonds (distance) C4'-P energy: -126.754 bonds (distance) P-C4' energy: -106.333 flat angles C4'-P-C4' energy: -125.005 flat angles P-C4'-P energy: -89.815 tors. eta vs tors. theta energy: -71.698 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: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3044.599216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.599216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.599216 (E_RNA) where: Base-Base interactions energy: -2205.329 where: short stacking energy: -915.098 Base-Backbone interact. energy: -4.688 local terms energy: -834.582779 where: bonds (distance) C4'-P energy: -147.118 bonds (distance) P-C4' energy: -156.991 flat angles C4'-P-C4' energy: -180.181 flat angles P-C4'-P energy: -104.637 tors. eta vs tors. theta energy: -245.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2917.842750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.842750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.842750 (E_RNA) where: Base-Base interactions energy: -2066.317 where: short stacking energy: -865.567 Base-Backbone interact. energy: -4.598 local terms energy: -846.928393 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -155.428 flat angles C4'-P-C4' energy: -184.359 flat angles P-C4'-P energy: -127.940 tors. eta vs tors. theta energy: -241.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2841.887184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.887184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.887184 (E_RNA) where: Base-Base interactions energy: -2028.021 where: short stacking energy: -881.777 Base-Backbone interact. energy: 1.636 local terms energy: -815.501878 where: bonds (distance) C4'-P energy: -147.912 bonds (distance) P-C4' energy: -141.288 flat angles C4'-P-C4' energy: -176.766 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -246.210 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: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2554.086380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.086380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.086380 (E_RNA) where: Base-Base interactions energy: -1801.988 where: short stacking energy: -751.724 Base-Backbone interact. energy: -6.723 local terms energy: -745.374953 where: bonds (distance) C4'-P energy: -134.366 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -160.256 flat angles P-C4'-P energy: -103.860 tors. eta vs tors. theta energy: -185.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2567.924989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.924989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.924989 (E_RNA) where: Base-Base interactions energy: -1786.014 where: short stacking energy: -741.295 Base-Backbone interact. energy: -5.047 local terms energy: -776.864234 where: bonds (distance) C4'-P energy: -154.979 bonds (distance) P-C4' energy: -155.590 flat angles C4'-P-C4' energy: -161.982 flat angles P-C4'-P energy: -99.747 tors. eta vs tors. theta energy: -204.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2438.747224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.747224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.747224 (E_RNA) where: Base-Base interactions energy: -1729.085 where: short stacking energy: -714.912 Base-Backbone interact. energy: -2.879 local terms energy: -706.782927 where: bonds (distance) C4'-P energy: -136.483 bonds (distance) P-C4' energy: -133.425 flat angles C4'-P-C4' energy: -151.219 flat angles P-C4'-P energy: -96.390 tors. eta vs tors. theta energy: -189.266 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: 310 Temperature: 1.200000 Total energy: -2162.670935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.670935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.670935 (E_RNA) where: Base-Base interactions energy: -1467.473 where: short stacking energy: -626.466 Base-Backbone interact. energy: -1.980 local terms energy: -693.218009 where: bonds (distance) C4'-P energy: -134.803 bonds (distance) P-C4' energy: -140.446 flat angles C4'-P-C4' energy: -161.975 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: -175.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -2032.810002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.810002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.810002 (E_RNA) where: Base-Base interactions energy: -1380.403 where: short stacking energy: -592.256 Base-Backbone interact. energy: -1.282 local terms energy: -651.124504 where: bonds (distance) C4'-P energy: -124.813 bonds (distance) P-C4' energy: -139.253 flat angles C4'-P-C4' energy: -155.713 flat angles P-C4'-P energy: -96.054 tors. eta vs tors. theta energy: -135.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1868.712158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.712158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.712158 (E_RNA) where: Base-Base interactions energy: -1277.217 where: short stacking energy: -531.580 Base-Backbone interact. energy: 4.688 local terms energy: -596.183632 where: bonds (distance) C4'-P energy: -126.353 bonds (distance) P-C4' energy: -140.918 flat angles C4'-P-C4' energy: -134.090 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: -114.163 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1539.837776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.837776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.837776 (E_RNA) where: Base-Base interactions energy: -1026.238 where: short stacking energy: -463.620 Base-Backbone interact. energy: -4.435 local terms energy: -509.164696 where: bonds (distance) C4'-P energy: -122.056 bonds (distance) P-C4' energy: -117.663 flat angles C4'-P-C4' energy: -125.710 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -68.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3059.777288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.777288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.777288 (E_RNA) where: Base-Base interactions energy: -2180.712 where: short stacking energy: -880.537 Base-Backbone interact. energy: -7.303 local terms energy: -871.761731 where: bonds (distance) C4'-P energy: -167.639 bonds (distance) P-C4' energy: -161.253 flat angles C4'-P-C4' energy: -181.269 flat angles P-C4'-P energy: -120.440 tors. eta vs tors. theta energy: -241.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2878.777950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.777950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.777950 (E_RNA) where: Base-Base interactions energy: -2012.599 where: short stacking energy: -861.673 Base-Backbone interact. energy: -4.029 local terms energy: -862.150252 where: bonds (distance) C4'-P energy: -162.043 bonds (distance) P-C4' energy: -158.844 flat angles C4'-P-C4' energy: -188.434 flat angles P-C4'-P energy: -121.172 tors. eta vs tors. theta energy: -231.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2805.627771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.627771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.627771 (E_RNA) where: Base-Base interactions energy: -1980.789 where: short stacking energy: -826.463 Base-Backbone interact. energy: -0.199 local terms energy: -824.639907 where: bonds (distance) C4'-P energy: -151.824 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -172.356 flat angles P-C4'-P energy: -114.344 tors. eta vs tors. theta energy: -235.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2633.562354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.562354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.562354 (E_RNA) where: Base-Base interactions energy: -1857.485 where: short stacking energy: -805.111 Base-Backbone interact. energy: 6.091 local terms energy: -782.168799 where: bonds (distance) C4'-P energy: -145.383 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -173.975 flat angles P-C4'-P energy: -116.528 tors. eta vs tors. theta energy: -212.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2541.347019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.347019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.347019 (E_RNA) where: Base-Base interactions energy: -1790.654 where: short stacking energy: -748.483 Base-Backbone interact. energy: -1.330 local terms energy: -749.362927 where: bonds (distance) C4'-P energy: -142.523 bonds (distance) P-C4' energy: -134.760 flat angles C4'-P-C4' energy: -173.035 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -183.738 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: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2448.059107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.059107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.059107 (E_RNA) where: Base-Base interactions energy: -1705.629 where: short stacking energy: -720.335 Base-Backbone interact. energy: -4.881 local terms energy: -737.549078 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -136.530 flat angles C4'-P-C4' energy: -164.273 flat angles P-C4'-P energy: -111.360 tors. eta vs tors. theta energy: -195.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2179.516422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.516422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.516422 (E_RNA) where: Base-Base interactions energy: -1476.039 where: short stacking energy: -641.194 Base-Backbone interact. energy: -2.861 local terms energy: -700.615910 where: bonds (distance) C4'-P energy: -140.089 bonds (distance) P-C4' energy: -131.326 flat angles C4'-P-C4' energy: -156.063 flat angles P-C4'-P energy: -108.642 tors. eta vs tors. theta energy: -164.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1962.243056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.243056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.243056 (E_RNA) where: Base-Base interactions energy: -1346.919 where: short stacking energy: -563.240 Base-Backbone interact. energy: -1.234 local terms energy: -614.089814 where: bonds (distance) C4'-P energy: -128.917 bonds (distance) P-C4' energy: -133.139 flat angles C4'-P-C4' energy: -144.417 flat angles P-C4'-P energy: -85.337 tors. eta vs tors. theta energy: -122.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1922.767192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.767192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.767192 (E_RNA) where: Base-Base interactions energy: -1331.060 where: short stacking energy: -587.105 Base-Backbone interact. energy: -0.953 local terms energy: -590.753742 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -123.965 flat angles C4'-P-C4' energy: -140.456 flat angles P-C4'-P energy: -67.865 tors. eta vs tors. theta energy: -136.736 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: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1465.300096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.300096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.300096 (E_RNA) where: Base-Base interactions energy: -987.210 where: short stacking energy: -449.223 Base-Backbone interact. energy: -5.005 local terms energy: -473.084540 where: bonds (distance) C4'-P energy: -113.590 bonds (distance) P-C4' energy: -139.256 flat angles C4'-P-C4' energy: -95.904 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -54.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3008.834529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.834529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.834529 (E_RNA) where: Base-Base interactions energy: -2178.296 where: short stacking energy: -894.474 Base-Backbone interact. energy: -3.084 local terms energy: -827.454484 where: bonds (distance) C4'-P energy: -151.937 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -175.233 flat angles P-C4'-P energy: -114.187 tors. eta vs tors. theta energy: -233.302 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: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2930.204797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.204797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.204797 (E_RNA) where: Base-Base interactions energy: -2080.750 where: short stacking energy: -866.368 Base-Backbone interact. energy: -0.653 local terms energy: -848.801837 where: bonds (distance) C4'-P energy: -141.979 bonds (distance) P-C4' energy: -179.849 flat angles C4'-P-C4' energy: -182.820 flat angles P-C4'-P energy: -119.864 tors. eta vs tors. theta energy: -224.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2820.470589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.470589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.470589 (E_RNA) where: Base-Base interactions energy: -2001.787 where: short stacking energy: -846.735 Base-Backbone interact. energy: -4.019 local terms energy: -814.664200 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -156.750 flat angles C4'-P-C4' energy: -160.483 flat angles P-C4'-P energy: -126.047 tors. eta vs tors. theta energy: -228.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2699.139760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.139760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.139760 (E_RNA) where: Base-Base interactions energy: -1916.944 where: short stacking energy: -840.378 Base-Backbone interact. energy: -2.057 local terms energy: -780.139075 where: bonds (distance) C4'-P energy: -140.833 bonds (distance) P-C4' energy: -136.894 flat angles C4'-P-C4' energy: -186.471 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -211.542 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: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2525.700945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.700945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.700945 (E_RNA) where: Base-Base interactions energy: -1781.413 where: short stacking energy: -757.586 Base-Backbone interact. energy: -2.051 local terms energy: -742.236905 where: bonds (distance) C4'-P energy: -139.258 bonds (distance) P-C4' energy: -134.791 flat angles C4'-P-C4' energy: -157.487 flat angles P-C4'-P energy: -107.574 tors. eta vs tors. theta energy: -203.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2461.013295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.013295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.013295 (E_RNA) where: Base-Base interactions energy: -1725.606 where: short stacking energy: -734.511 Base-Backbone interact. energy: -3.352 local terms energy: -732.054819 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -136.291 flat angles C4'-P-C4' energy: -155.739 flat angles P-C4'-P energy: -85.906 tors. eta vs tors. theta energy: -205.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2202.650809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.650809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.650809 (E_RNA) where: Base-Base interactions energy: -1515.949 where: short stacking energy: -655.631 Base-Backbone interact. energy: 0.521 local terms energy: -687.223320 where: bonds (distance) C4'-P energy: -126.933 bonds (distance) P-C4' energy: -136.006 flat angles C4'-P-C4' energy: -159.661 flat angles P-C4'-P energy: -98.122 tors. eta vs tors. theta energy: -166.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2076.639675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.639675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.639675 (E_RNA) where: Base-Base interactions energy: -1442.967 where: short stacking energy: -623.019 Base-Backbone interact. energy: 2.753 local terms energy: -636.426098 where: bonds (distance) C4'-P energy: -131.846 bonds (distance) P-C4' energy: -123.978 flat angles C4'-P-C4' energy: -157.818 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -137.712 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: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1964.963113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.963113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.963113 (E_RNA) where: Base-Base interactions energy: -1335.811 where: short stacking energy: -613.379 Base-Backbone interact. energy: 0.810 local terms energy: -629.961926 where: bonds (distance) C4'-P energy: -121.605 bonds (distance) P-C4' energy: -128.801 flat angles C4'-P-C4' energy: -156.138 flat angles P-C4'-P energy: -85.162 tors. eta vs tors. theta energy: -138.257 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: 1 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1480.691806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.691806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.691806 (E_RNA) where: Base-Base interactions energy: -965.960 where: short stacking energy: -431.037 Base-Backbone interact. energy: 0.567 local terms energy: -515.298528 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -145.992 flat angles P-C4'-P energy: -61.737 tors. eta vs tors. theta energy: -83.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3016.612760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.612760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.612760 (E_RNA) where: Base-Base interactions energy: -2161.849 where: short stacking energy: -887.295 Base-Backbone interact. energy: -1.510 local terms energy: -853.254166 where: bonds (distance) C4'-P energy: -160.454 bonds (distance) P-C4' energy: -155.053 flat angles C4'-P-C4' energy: -175.578 flat angles P-C4'-P energy: -119.379 tors. eta vs tors. theta energy: -242.790 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: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2901.401002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.401002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.401002 (E_RNA) where: Base-Base interactions energy: -2080.878 where: short stacking energy: -847.062 Base-Backbone interact. energy: -1.139 local terms energy: -819.384188 where: bonds (distance) C4'-P energy: -147.879 bonds (distance) P-C4' energy: -158.946 flat angles C4'-P-C4' energy: -174.711 flat angles P-C4'-P energy: -118.026 tors. eta vs tors. theta energy: -219.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2891.876769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.876769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.876769 (E_RNA) where: Base-Base interactions energy: -2061.841 where: short stacking energy: -879.007 Base-Backbone interact. energy: 4.596 local terms energy: -834.631300 where: bonds (distance) C4'-P energy: -145.771 bonds (distance) P-C4' energy: -147.317 flat angles C4'-P-C4' energy: -179.124 flat angles P-C4'-P energy: -117.642 tors. eta vs tors. theta energy: -244.777 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: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2684.482287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.482287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.482287 (E_RNA) where: Base-Base interactions energy: -1895.105 where: short stacking energy: -816.496 Base-Backbone interact. energy: -3.552 local terms energy: -785.825899 where: bonds (distance) C4'-P energy: -157.005 bonds (distance) P-C4' energy: -153.976 flat angles C4'-P-C4' energy: -165.738 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -209.045 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: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2514.573579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.573579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.573579 (E_RNA) where: Base-Base interactions energy: -1738.187 where: short stacking energy: -730.220 Base-Backbone interact. energy: -3.323 local terms energy: -773.063573 where: bonds (distance) C4'-P energy: -145.905 bonds (distance) P-C4' energy: -153.180 flat angles C4'-P-C4' energy: -157.146 flat angles P-C4'-P energy: -108.861 tors. eta vs tors. theta energy: -207.972 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: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2468.986468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.986468 (E_RNA) where: Base-Base interactions energy: -1745.267 where: short stacking energy: -735.166 Base-Backbone interact. energy: -2.654 local terms energy: -721.066203 where: bonds (distance) C4'-P energy: -118.083 bonds (distance) P-C4' energy: -126.562 flat angles C4'-P-C4' energy: -159.848 flat angles P-C4'-P energy: -114.474 tors. eta vs tors. theta energy: -202.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2209.788930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.788930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.788930 (E_RNA) where: Base-Base interactions energy: -1565.393 where: short stacking energy: -652.393 Base-Backbone interact. energy: -4.241 local terms energy: -640.154612 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -131.757 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -95.487 tors. eta vs tors. theta energy: -166.809 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: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2016.931977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.931977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.931977 (E_RNA) where: Base-Base interactions energy: -1381.095 where: short stacking energy: -603.565 Base-Backbone interact. energy: -1.446 local terms energy: -634.390547 where: bonds (distance) C4'-P energy: -138.658 bonds (distance) P-C4' energy: -139.063 flat angles C4'-P-C4' energy: -140.693 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -141.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1871.808669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.808669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.808669 (E_RNA) where: Base-Base interactions energy: -1243.839 where: short stacking energy: -555.718 Base-Backbone interact. energy: -3.972 local terms energy: -623.997767 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -142.369 flat angles C4'-P-C4' energy: -155.216 flat angles P-C4'-P energy: -83.733 tors. eta vs tors. theta energy: -134.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1525.362794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.362794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.362794 (E_RNA) where: Base-Base interactions energy: -1023.366 where: short stacking energy: -487.316 Base-Backbone interact. energy: -1.167 local terms energy: -500.829384 where: bonds (distance) C4'-P energy: -130.585 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -60.931 tors. eta vs tors. theta energy: -71.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3017.269437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.269437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.269437 (E_RNA) where: Base-Base interactions energy: -2163.232 where: short stacking energy: -891.002 Base-Backbone interact. energy: -4.744 local terms energy: -849.292722 where: bonds (distance) C4'-P energy: -166.556 bonds (distance) P-C4' energy: -153.197 flat angles C4'-P-C4' energy: -180.618 flat angles P-C4'-P energy: -120.848 tors. eta vs tors. theta energy: -228.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2900.332941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.332941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.332941 (E_RNA) where: Base-Base interactions energy: -2062.797 where: short stacking energy: -866.624 Base-Backbone interact. energy: -1.468 local terms energy: -836.068168 where: bonds (distance) C4'-P energy: -149.506 bonds (distance) P-C4' energy: -153.419 flat angles C4'-P-C4' energy: -178.363 flat angles P-C4'-P energy: -127.313 tors. eta vs tors. theta energy: -227.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2889.335411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.335411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.335411 (E_RNA) where: Base-Base interactions energy: -2079.503 where: short stacking energy: -883.577 Base-Backbone interact. energy: -4.512 local terms energy: -805.320715 where: bonds (distance) C4'-P energy: -131.964 bonds (distance) P-C4' energy: -139.412 flat angles C4'-P-C4' energy: -176.930 flat angles P-C4'-P energy: -112.572 tors. eta vs tors. theta energy: -244.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2628.945034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.945034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.945034 (E_RNA) where: Base-Base interactions energy: -1856.143 where: short stacking energy: -804.603 Base-Backbone interact. energy: -1.423 local terms energy: -771.378789 where: bonds (distance) C4'-P energy: -144.539 bonds (distance) P-C4' energy: -151.220 flat angles C4'-P-C4' energy: -166.840 flat angles P-C4'-P energy: -112.476 tors. eta vs tors. theta energy: -196.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2533.692147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.692147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.692147 (E_RNA) where: Base-Base interactions energy: -1787.681 where: short stacking energy: -757.630 Base-Backbone interact. energy: -0.489 local terms energy: -745.522732 where: bonds (distance) C4'-P energy: -143.094 bonds (distance) P-C4' energy: -148.973 flat angles C4'-P-C4' energy: -170.910 flat angles P-C4'-P energy: -91.113 tors. eta vs tors. theta energy: -191.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2431.578326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.578326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.578326 (E_RNA) where: Base-Base interactions energy: -1697.957 where: short stacking energy: -714.542 Base-Backbone interact. energy: -1.688 local terms energy: -731.932544 where: bonds (distance) C4'-P energy: -123.281 bonds (distance) P-C4' energy: -155.252 flat angles C4'-P-C4' energy: -165.220 flat angles P-C4'-P energy: -92.587 tors. eta vs tors. theta energy: -195.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2189.985152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.985152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.985152 (E_RNA) where: Base-Base interactions energy: -1494.907 where: short stacking energy: -662.586 Base-Backbone interact. energy: 0.801 local terms energy: -695.879000 where: bonds (distance) C4'-P energy: -141.175 bonds (distance) P-C4' energy: -128.600 flat angles C4'-P-C4' energy: -145.755 flat angles P-C4'-P energy: -103.585 tors. eta vs tors. theta energy: -176.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2024.338880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.338880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.338880 (E_RNA) where: Base-Base interactions energy: -1416.901 where: short stacking energy: -621.882 Base-Backbone interact. energy: 1.363 local terms energy: -608.801521 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -128.761 flat angles C4'-P-C4' energy: -148.282 flat angles P-C4'-P energy: -94.326 tors. eta vs tors. theta energy: -132.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1886.776461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.776461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.776461 (E_RNA) where: Base-Base interactions energy: -1286.332 where: short stacking energy: -558.259 Base-Backbone interact. energy: -0.821 local terms energy: -599.623205 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -145.341 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -116.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1547.255427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.255427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.255427 (E_RNA) where: Base-Base interactions energy: -1021.260 where: short stacking energy: -452.740 Base-Backbone interact. energy: -0.335 local terms energy: -525.659832 where: bonds (distance) C4'-P energy: -132.877 bonds (distance) P-C4' energy: -133.698 flat angles C4'-P-C4' energy: -97.050 flat angles P-C4'-P energy: -86.244 tors. eta vs tors. theta energy: -75.790 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: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3028.572994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.572994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.572994 (E_RNA) where: Base-Base interactions energy: -2160.332 where: short stacking energy: -865.573 Base-Backbone interact. energy: -1.556 local terms energy: -866.685033 where: bonds (distance) C4'-P energy: -163.136 bonds (distance) P-C4' energy: -165.484 flat angles C4'-P-C4' energy: -184.840 flat angles P-C4'-P energy: -116.674 tors. eta vs tors. theta energy: -236.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2953.995299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.995299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.995299 (E_RNA) where: Base-Base interactions energy: -2109.789 where: short stacking energy: -866.492 Base-Backbone interact. energy: -0.154 local terms energy: -844.051952 where: bonds (distance) C4'-P energy: -139.238 bonds (distance) P-C4' energy: -166.760 flat angles C4'-P-C4' energy: -182.255 flat angles P-C4'-P energy: -119.992 tors. eta vs tors. theta energy: -235.807 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: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2902.171315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.171315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.171315 (E_RNA) where: Base-Base interactions energy: -2055.682 where: short stacking energy: -863.756 Base-Backbone interact. energy: -3.448 local terms energy: -843.041453 where: bonds (distance) C4'-P energy: -148.760 bonds (distance) P-C4' energy: -153.667 flat angles C4'-P-C4' energy: -172.684 flat angles P-C4'-P energy: -121.610 tors. eta vs tors. theta energy: -246.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2659.132337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.132337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.132337 (E_RNA) where: Base-Base interactions energy: -1876.157 where: short stacking energy: -793.979 Base-Backbone interact. energy: -3.095 local terms energy: -779.880175 where: bonds (distance) C4'-P energy: -140.868 bonds (distance) P-C4' energy: -145.111 flat angles C4'-P-C4' energy: -173.804 flat angles P-C4'-P energy: -100.863 tors. eta vs tors. theta energy: -219.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2510.107228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.107228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.107228 (E_RNA) where: Base-Base interactions energy: -1773.476 where: short stacking energy: -760.839 Base-Backbone interact. energy: -1.984 local terms energy: -734.646885 where: bonds (distance) C4'-P energy: -128.222 bonds (distance) P-C4' energy: -136.758 flat angles C4'-P-C4' energy: -159.944 flat angles P-C4'-P energy: -113.610 tors. eta vs tors. theta energy: -196.113 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: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2425.282124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.282124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.282124 (E_RNA) where: Base-Base interactions energy: -1726.246 where: short stacking energy: -756.751 Base-Backbone interact. energy: -0.097 local terms energy: -698.938652 where: bonds (distance) C4'-P energy: -150.446 bonds (distance) P-C4' energy: -128.687 flat angles C4'-P-C4' energy: -158.101 flat angles P-C4'-P energy: -62.916 tors. eta vs tors. theta energy: -198.788 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: 315 Temperature: 1.200000 Total energy: -2196.463175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.463175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.463175 (E_RNA) where: Base-Base interactions energy: -1530.102 where: short stacking energy: -668.304 Base-Backbone interact. energy: -3.501 local terms energy: -662.860011 where: bonds (distance) C4'-P energy: -144.216 bonds (distance) P-C4' energy: -139.611 flat angles C4'-P-C4' energy: -139.540 flat angles P-C4'-P energy: -87.539 tors. eta vs tors. theta energy: -151.955 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: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2015.487268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.487268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.487268 (E_RNA) where: Base-Base interactions energy: -1416.644 where: short stacking energy: -629.738 Base-Backbone interact. energy: 3.044 local terms energy: -601.887209 where: bonds (distance) C4'-P energy: -105.891 bonds (distance) P-C4' energy: -120.033 flat angles C4'-P-C4' energy: -149.993 flat angles P-C4'-P energy: -84.130 tors. eta vs tors. theta energy: -141.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1879.278756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.278756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.278756 (E_RNA) where: Base-Base interactions energy: -1295.219 where: short stacking energy: -548.813 Base-Backbone interact. energy: 0.576 local terms energy: -584.635655 where: bonds (distance) C4'-P energy: -128.553 bonds (distance) P-C4' energy: -120.636 flat angles C4'-P-C4' energy: -136.552 flat angles P-C4'-P energy: -86.847 tors. eta vs tors. theta energy: -112.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1456.065152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.065152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.065152 (E_RNA) where: Base-Base interactions energy: -941.307 where: short stacking energy: -403.892 Base-Backbone interact. energy: -1.378 local terms energy: -513.379329 where: bonds (distance) C4'-P energy: -139.160 bonds (distance) P-C4' energy: -137.294 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -84.210 tors. eta vs tors. theta energy: -40.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3038.036717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.036717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.036717 (E_RNA) where: Base-Base interactions energy: -2169.508 where: short stacking energy: -903.861 Base-Backbone interact. energy: -9.337 local terms energy: -859.192325 where: bonds (distance) C4'-P energy: -169.701 bonds (distance) P-C4' energy: -156.460 flat angles C4'-P-C4' energy: -181.980 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -238.861 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: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2955.992263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.992263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.992263 (E_RNA) where: Base-Base interactions energy: -2117.431 where: short stacking energy: -874.188 Base-Backbone interact. energy: 1.226 local terms energy: -839.786476 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -149.588 flat angles C4'-P-C4' energy: -181.579 flat angles P-C4'-P energy: -131.164 tors. eta vs tors. theta energy: -233.977 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: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2857.777978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.777978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.777978 (E_RNA) where: Base-Base interactions energy: -2011.668 where: short stacking energy: -857.686 Base-Backbone interact. energy: -5.433 local terms energy: -840.676991 where: bonds (distance) C4'-P energy: -143.113 bonds (distance) P-C4' energy: -164.959 flat angles C4'-P-C4' energy: -176.819 flat angles P-C4'-P energy: -122.253 tors. eta vs tors. theta energy: -233.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2677.955229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.955229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.955229 (E_RNA) where: Base-Base interactions energy: -1885.580 where: short stacking energy: -810.035 Base-Backbone interact. energy: -2.319 local terms energy: -790.055794 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -152.132 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -115.474 tors. eta vs tors. theta energy: -216.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2469.093464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.093464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.093464 (E_RNA) where: Base-Base interactions energy: -1704.192 where: short stacking energy: -721.958 Base-Backbone interact. energy: -1.436 local terms energy: -763.465084 where: bonds (distance) C4'-P energy: -147.346 bonds (distance) P-C4' energy: -144.378 flat angles C4'-P-C4' energy: -168.552 flat angles P-C4'-P energy: -111.062 tors. eta vs tors. theta energy: -192.128 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: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2427.919891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.919891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.919891 (E_RNA) where: Base-Base interactions energy: -1710.795 where: short stacking energy: -728.205 Base-Backbone interact. energy: -1.783 local terms energy: -715.342199 where: bonds (distance) C4'-P energy: -127.746 bonds (distance) P-C4' energy: -140.234 flat angles C4'-P-C4' energy: -158.556 flat angles P-C4'-P energy: -108.352 tors. eta vs tors. theta energy: -180.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2215.351920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.351920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.351920 (E_RNA) where: Base-Base interactions energy: -1524.793 where: short stacking energy: -689.606 Base-Backbone interact. energy: 0.075 local terms energy: -690.633128 where: bonds (distance) C4'-P energy: -138.597 bonds (distance) P-C4' energy: -127.183 flat angles C4'-P-C4' energy: -162.395 flat angles P-C4'-P energy: -81.420 tors. eta vs tors. theta energy: -181.038 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: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2067.774176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.774176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.774176 (E_RNA) where: Base-Base interactions energy: -1452.145 where: short stacking energy: -621.448 Base-Backbone interact. energy: 0.458 local terms energy: -616.087345 where: bonds (distance) C4'-P energy: -110.599 bonds (distance) P-C4' energy: -137.907 flat angles C4'-P-C4' energy: -130.071 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -141.575 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: 5 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1868.030492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.030492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.030492 (E_RNA) where: Base-Base interactions energy: -1282.688 where: short stacking energy: -563.749 Base-Backbone interact. energy: -0.642 local terms energy: -584.700899 where: bonds (distance) C4'-P energy: -129.645 bonds (distance) P-C4' energy: -139.378 flat angles C4'-P-C4' energy: -117.478 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -113.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1457.191911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.191911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.191911 (E_RNA) where: Base-Base interactions energy: -943.904 where: short stacking energy: -427.489 Base-Backbone interact. energy: 2.143 local terms energy: -515.430700 where: bonds (distance) C4'-P energy: -118.462 bonds (distance) P-C4' energy: -140.648 flat angles C4'-P-C4' energy: -135.391 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -58.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3007.365738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.365738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.365738 (E_RNA) where: Base-Base interactions energy: -2159.058 where: short stacking energy: -886.901 Base-Backbone interact. energy: -4.573 local terms energy: -843.734424 where: bonds (distance) C4'-P energy: -160.015 bonds (distance) P-C4' energy: -144.542 flat angles C4'-P-C4' energy: -177.975 flat angles P-C4'-P energy: -119.133 tors. eta vs tors. theta energy: -242.070 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: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2887.722935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.722935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.722935 (E_RNA) where: Base-Base interactions energy: -2031.156 where: short stacking energy: -846.136 Base-Backbone interact. energy: -3.960 local terms energy: -852.606216 where: bonds (distance) C4'-P energy: -140.814 bonds (distance) P-C4' energy: -162.164 flat angles C4'-P-C4' energy: -191.427 flat angles P-C4'-P energy: -123.307 tors. eta vs tors. theta energy: -234.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2856.350513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.350513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.350513 (E_RNA) where: Base-Base interactions energy: -2029.862 where: short stacking energy: -849.449 Base-Backbone interact. energy: -4.356 local terms energy: -822.132267 where: bonds (distance) C4'-P energy: -144.197 bonds (distance) P-C4' energy: -158.416 flat angles C4'-P-C4' energy: -176.881 flat angles P-C4'-P energy: -115.541 tors. eta vs tors. theta energy: -227.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2659.733708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.733708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.733708 (E_RNA) where: Base-Base interactions energy: -1890.894 where: short stacking energy: -802.729 Base-Backbone interact. energy: -4.968 local terms energy: -763.871395 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -173.017 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -210.775 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: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2475.727538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.727538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.727538 (E_RNA) where: Base-Base interactions energy: -1743.024 where: short stacking energy: -727.750 Base-Backbone interact. energy: -3.178 local terms energy: -729.525798 where: bonds (distance) C4'-P energy: -124.702 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -171.881 flat angles P-C4'-P energy: -102.811 tors. eta vs tors. theta energy: -190.242 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: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2410.444674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.444674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.444674 (E_RNA) where: Base-Base interactions energy: -1716.685 where: short stacking energy: -717.354 Base-Backbone interact. energy: -3.706 local terms energy: -690.053522 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -124.041 flat angles C4'-P-C4' energy: -159.456 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -173.573 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: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2236.148987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.148987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.148987 (E_RNA) where: Base-Base interactions energy: -1581.183 where: short stacking energy: -702.881 Base-Backbone interact. energy: -1.931 local terms energy: -653.034995 where: bonds (distance) C4'-P energy: -127.592 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -151.235 flat angles P-C4'-P energy: -102.844 tors. eta vs tors. theta energy: -164.734 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: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2048.265962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.265962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.265962 (E_RNA) where: Base-Base interactions energy: -1427.786 where: short stacking energy: -606.072 Base-Backbone interact. energy: -3.283 local terms energy: -617.197436 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -105.173 flat angles C4'-P-C4' energy: -172.676 flat angles P-C4'-P energy: -84.578 tors. eta vs tors. theta energy: -137.829 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: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1838.389928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.389928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.389928 (E_RNA) where: Base-Base interactions energy: -1279.896 where: short stacking energy: -536.476 Base-Backbone interact. energy: -2.724 local terms energy: -555.769393 where: bonds (distance) C4'-P energy: -111.574 bonds (distance) P-C4' energy: -122.052 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -127.277 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1450.709109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.709109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.709109 (E_RNA) where: Base-Base interactions energy: -945.399 where: short stacking energy: -449.337 Base-Backbone interact. energy: -0.721 local terms energy: -504.589897 where: bonds (distance) C4'-P energy: -123.467 bonds (distance) P-C4' energy: -130.096 flat angles C4'-P-C4' energy: -106.792 flat angles P-C4'-P energy: -76.850 tors. eta vs tors. theta energy: -67.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3007.933381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.933381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.933381 (E_RNA) where: Base-Base interactions energy: -2163.296 where: short stacking energy: -888.025 Base-Backbone interact. energy: -5.380 local terms energy: -839.257071 where: bonds (distance) C4'-P energy: -149.618 bonds (distance) P-C4' energy: -155.779 flat angles C4'-P-C4' energy: -184.131 flat angles P-C4'-P energy: -120.411 tors. eta vs tors. theta energy: -229.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2898.195729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.195729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.195729 (E_RNA) where: Base-Base interactions energy: -2009.146 where: short stacking energy: -857.672 Base-Backbone interact. energy: -4.073 local terms energy: -884.976896 where: bonds (distance) C4'-P energy: -168.918 bonds (distance) P-C4' energy: -173.979 flat angles C4'-P-C4' energy: -184.986 flat angles P-C4'-P energy: -111.011 tors. eta vs tors. theta energy: -246.082 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: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2879.336572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.336572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.336572 (E_RNA) where: Base-Base interactions energy: -2038.289 where: short stacking energy: -869.554 Base-Backbone interact. energy: -3.470 local terms energy: -837.577798 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -156.148 flat angles C4'-P-C4' energy: -182.222 flat angles P-C4'-P energy: -121.795 tors. eta vs tors. theta energy: -236.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2650.368841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.368841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.368841 (E_RNA) where: Base-Base interactions energy: -1897.740 where: short stacking energy: -819.971 Base-Backbone interact. energy: 2.433 local terms energy: -755.062438 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -157.665 flat angles C4'-P-C4' energy: -165.354 flat angles P-C4'-P energy: -103.770 tors. eta vs tors. theta energy: -201.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2491.497864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.497864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.497864 (E_RNA) where: Base-Base interactions energy: -1744.340 where: short stacking energy: -719.357 Base-Backbone interact. energy: -5.513 local terms energy: -741.644117 where: bonds (distance) C4'-P energy: -146.827 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -189.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2342.661336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.661336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.661336 (E_RNA) where: Base-Base interactions energy: -1642.197 where: short stacking energy: -704.408 Base-Backbone interact. energy: 5.239 local terms energy: -705.702898 where: bonds (distance) C4'-P energy: -123.851 bonds (distance) P-C4' energy: -137.376 flat angles C4'-P-C4' energy: -145.021 flat angles P-C4'-P energy: -94.547 tors. eta vs tors. theta energy: -204.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2228.685686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.685686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.685686 (E_RNA) where: Base-Base interactions energy: -1521.535 where: short stacking energy: -683.706 Base-Backbone interact. energy: 0.267 local terms energy: -707.417925 where: bonds (distance) C4'-P energy: -145.706 bonds (distance) P-C4' energy: -133.329 flat angles C4'-P-C4' energy: -149.285 flat angles P-C4'-P energy: -104.308 tors. eta vs tors. theta energy: -174.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2070.845681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.845681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.845681 (E_RNA) where: Base-Base interactions energy: -1457.965 where: short stacking energy: -619.576 Base-Backbone interact. energy: 1.245 local terms energy: -614.125358 where: bonds (distance) C4'-P energy: -121.188 bonds (distance) P-C4' energy: -118.900 flat angles C4'-P-C4' energy: -153.258 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -134.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1818.639896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.639896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.639896 (E_RNA) where: Base-Base interactions energy: -1256.836 where: short stacking energy: -561.632 Base-Backbone interact. energy: -0.298 local terms energy: -561.505378 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -120.932 flat angles C4'-P-C4' energy: -129.545 flat angles P-C4'-P energy: -76.947 tors. eta vs tors. theta energy: -114.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1472.327632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.327632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.327632 (E_RNA) where: Base-Base interactions energy: -981.332 where: short stacking energy: -453.072 Base-Backbone interact. energy: -1.747 local terms energy: -489.249101 where: bonds (distance) C4'-P energy: -114.010 bonds (distance) P-C4' energy: -125.096 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -86.113 tors. eta vs tors. theta energy: -52.513 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: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3017.350166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.350166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.350166 (E_RNA) where: Base-Base interactions energy: -2153.217 where: short stacking energy: -893.375 Base-Backbone interact. energy: -7.590 local terms energy: -856.542972 where: bonds (distance) C4'-P energy: -167.508 bonds (distance) P-C4' energy: -160.481 flat angles C4'-P-C4' energy: -182.188 flat angles P-C4'-P energy: -110.922 tors. eta vs tors. theta energy: -235.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2900.547861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.547861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.547861 (E_RNA) where: Base-Base interactions energy: -2038.957 where: short stacking energy: -870.142 Base-Backbone interact. energy: -4.507 local terms energy: -857.084421 where: bonds (distance) C4'-P energy: -147.697 bonds (distance) P-C4' energy: -169.862 flat angles C4'-P-C4' energy: -182.912 flat angles P-C4'-P energy: -117.708 tors. eta vs tors. theta energy: -238.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2872.583193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.583193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.583193 (E_RNA) where: Base-Base interactions energy: -2013.095 where: short stacking energy: -877.364 Base-Backbone interact. energy: -5.262 local terms energy: -854.226573 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -159.716 flat angles C4'-P-C4' energy: -186.643 flat angles P-C4'-P energy: -125.685 tors. eta vs tors. theta energy: -237.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2675.277538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.277538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.277538 (E_RNA) where: Base-Base interactions energy: -1896.444 where: short stacking energy: -813.665 Base-Backbone interact. energy: -4.280 local terms energy: -774.553654 where: bonds (distance) C4'-P energy: -151.659 bonds (distance) P-C4' energy: -153.871 flat angles C4'-P-C4' energy: -169.978 flat angles P-C4'-P energy: -103.374 tors. eta vs tors. theta energy: -195.671 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: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2466.059137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.059137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.059137 (E_RNA) where: Base-Base interactions energy: -1704.702 where: short stacking energy: -734.661 Base-Backbone interact. energy: 0.990 local terms energy: -762.347182 where: bonds (distance) C4'-P energy: -142.823 bonds (distance) P-C4' energy: -146.453 flat angles C4'-P-C4' energy: -176.790 flat angles P-C4'-P energy: -105.913 tors. eta vs tors. theta energy: -190.368 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: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2349.829192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.829192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.829192 (E_RNA) where: Base-Base interactions energy: -1653.640 where: short stacking energy: -712.849 Base-Backbone interact. energy: -4.885 local terms energy: -691.304603 where: bonds (distance) C4'-P energy: -113.246 bonds (distance) P-C4' energy: -134.696 flat angles C4'-P-C4' energy: -154.883 flat angles P-C4'-P energy: -93.760 tors. eta vs tors. theta energy: -194.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2192.686974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.686974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.686974 (E_RNA) where: Base-Base interactions energy: -1509.306 where: short stacking energy: -654.469 Base-Backbone interact. energy: -1.475 local terms energy: -681.906178 where: bonds (distance) C4'-P energy: -146.341 bonds (distance) P-C4' energy: -150.752 flat angles C4'-P-C4' energy: -150.606 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -161.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2049.880627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.880627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.880627 (E_RNA) where: Base-Base interactions energy: -1417.999 where: short stacking energy: -569.219 Base-Backbone interact. energy: -3.084 local terms energy: -628.796951 where: bonds (distance) C4'-P energy: -135.927 bonds (distance) P-C4' energy: -143.372 flat angles C4'-P-C4' energy: -134.799 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -124.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1872.727627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.727627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.727627 (E_RNA) where: Base-Base interactions energy: -1242.178 where: short stacking energy: -552.131 Base-Backbone interact. energy: -2.436 local terms energy: -628.114276 where: bonds (distance) C4'-P energy: -122.547 bonds (distance) P-C4' energy: -142.174 flat angles C4'-P-C4' energy: -161.353 flat angles P-C4'-P energy: -78.979 tors. eta vs tors. theta energy: -123.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1465.064769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.064769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.064769 (E_RNA) where: Base-Base interactions energy: -958.735 where: short stacking energy: -420.253 Base-Backbone interact. energy: 0.137 local terms energy: -506.466940 where: bonds (distance) C4'-P energy: -137.323 bonds (distance) P-C4' energy: -121.793 flat angles C4'-P-C4' energy: -115.338 flat angles P-C4'-P energy: -68.601 tors. eta vs tors. theta energy: -63.412 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: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3009.807397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.807397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.807397 (E_RNA) where: Base-Base interactions energy: -2154.901 where: short stacking energy: -891.276 Base-Backbone interact. energy: -0.919 local terms energy: -853.986974 where: bonds (distance) C4'-P energy: -145.936 bonds (distance) P-C4' energy: -171.848 flat angles C4'-P-C4' energy: -176.411 flat angles P-C4'-P energy: -118.128 tors. eta vs tors. theta energy: -241.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2946.952545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.952545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.952545 (E_RNA) where: Base-Base interactions energy: -2085.603 where: short stacking energy: -881.056 Base-Backbone interact. energy: 3.436 local terms energy: -864.785930 where: bonds (distance) C4'-P energy: -161.621 bonds (distance) P-C4' energy: -159.983 flat angles C4'-P-C4' energy: -182.104 flat angles P-C4'-P energy: -117.681 tors. eta vs tors. theta energy: -243.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2855.245357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.245357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.245357 (E_RNA) where: Base-Base interactions energy: -2038.468 where: short stacking energy: -864.339 Base-Backbone interact. energy: -2.159 local terms energy: -814.618573 where: bonds (distance) C4'-P energy: -153.046 bonds (distance) P-C4' energy: -135.513 flat angles C4'-P-C4' energy: -173.339 flat angles P-C4'-P energy: -121.639 tors. eta vs tors. theta energy: -231.081 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: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2661.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.657633 (E_RNA) where: Base-Base interactions energy: -1896.411 where: short stacking energy: -808.739 Base-Backbone interact. energy: -3.571 local terms energy: -761.675460 where: bonds (distance) C4'-P energy: -137.497 bonds (distance) P-C4' energy: -151.529 flat angles C4'-P-C4' energy: -159.586 flat angles P-C4'-P energy: -102.656 tors. eta vs tors. theta energy: -210.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2541.196919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.196919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.196919 (E_RNA) where: Base-Base interactions energy: -1747.662 where: short stacking energy: -760.508 Base-Backbone interact. energy: -0.425 local terms energy: -793.109784 where: bonds (distance) C4'-P energy: -141.459 bonds (distance) P-C4' energy: -168.123 flat angles C4'-P-C4' energy: -169.665 flat angles P-C4'-P energy: -117.796 tors. eta vs tors. theta energy: -196.068 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: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2416.513790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.513790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.513790 (E_RNA) where: Base-Base interactions energy: -1680.688 where: short stacking energy: -736.044 Base-Backbone interact. energy: -2.402 local terms energy: -733.424188 where: bonds (distance) C4'-P energy: -122.525 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -163.188 flat angles P-C4'-P energy: -105.207 tors. eta vs tors. theta energy: -207.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2221.187952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.187952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.187952 (E_RNA) where: Base-Base interactions energy: -1538.620 where: short stacking energy: -635.679 Base-Backbone interact. energy: -0.683 local terms energy: -681.884179 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -152.477 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: -175.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2058.890609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.890609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.890609 (E_RNA) where: Base-Base interactions energy: -1461.390 where: short stacking energy: -593.149 Base-Backbone interact. energy: 1.981 local terms energy: -599.481164 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -120.778 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -70.804 tors. eta vs tors. theta energy: -135.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1829.608123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.608123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.608123 (E_RNA) where: Base-Base interactions energy: -1262.738 where: short stacking energy: -552.552 Base-Backbone interact. energy: -3.096 local terms energy: -563.773403 where: bonds (distance) C4'-P energy: -136.232 bonds (distance) P-C4' energy: -106.014 flat angles C4'-P-C4' energy: -130.930 flat angles P-C4'-P energy: -80.192 tors. eta vs tors. theta energy: -110.406 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: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1411.047942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.047942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.047942 (E_RNA) where: Base-Base interactions energy: -881.883 where: short stacking energy: -427.945 Base-Backbone interact. energy: 9.130 local terms energy: -538.294350 where: bonds (distance) C4'-P energy: -113.066 bonds (distance) P-C4' energy: -133.484 flat angles C4'-P-C4' energy: -134.085 flat angles P-C4'-P energy: -83.151 tors. eta vs tors. theta energy: -74.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3029.145433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.145433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.145433 (E_RNA) where: Base-Base interactions energy: -2141.473 where: short stacking energy: -872.616 Base-Backbone interact. energy: -4.602 local terms energy: -883.070321 where: bonds (distance) C4'-P energy: -154.524 bonds (distance) P-C4' energy: -165.550 flat angles C4'-P-C4' energy: -198.285 flat angles P-C4'-P energy: -120.004 tors. eta vs tors. theta energy: -244.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2930.899724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.899724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.899724 (E_RNA) where: Base-Base interactions energy: -2093.494 where: short stacking energy: -881.508 Base-Backbone interact. energy: -3.084 local terms energy: -834.321525 where: bonds (distance) C4'-P energy: -157.942 bonds (distance) P-C4' energy: -136.414 flat angles C4'-P-C4' energy: -176.184 flat angles P-C4'-P energy: -128.072 tors. eta vs tors. theta energy: -235.709 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: 321 Temperature: 1.000000 Total energy: -2891.157333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.157333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.157333 (E_RNA) where: Base-Base interactions energy: -2090.068 where: short stacking energy: -884.526 Base-Backbone interact. energy: -5.778 local terms energy: -795.312079 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -142.718 flat angles C4'-P-C4' energy: -167.779 flat angles P-C4'-P energy: -107.363 tors. eta vs tors. theta energy: -234.199 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2706.719473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.719473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.719473 (E_RNA) where: Base-Base interactions energy: -1932.029 where: short stacking energy: -816.905 Base-Backbone interact. energy: -4.216 local terms energy: -770.474462 where: bonds (distance) C4'-P energy: -150.909 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -167.540 flat angles P-C4'-P energy: -102.556 tors. eta vs tors. theta energy: -200.563 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: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2495.129798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.129798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.129798 (E_RNA) where: Base-Base interactions energy: -1786.874 where: short stacking energy: -752.009 Base-Backbone interact. energy: 2.200 local terms energy: -710.455046 where: bonds (distance) C4'-P energy: -145.854 bonds (distance) P-C4' energy: -129.345 flat angles C4'-P-C4' energy: -142.359 flat angles P-C4'-P energy: -98.613 tors. eta vs tors. theta energy: -194.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2445.043641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.043641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.043641 (E_RNA) where: Base-Base interactions energy: -1710.010 where: short stacking energy: -745.431 Base-Backbone interact. energy: -5.494 local terms energy: -729.540081 where: bonds (distance) C4'-P energy: -127.275 bonds (distance) P-C4' energy: -144.964 flat angles C4'-P-C4' energy: -159.128 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -202.047 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: 321 Temperature: 1.200000 Total energy: -2182.510731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.510731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.510731 (E_RNA) where: Base-Base interactions energy: -1481.699 where: short stacking energy: -641.863 Base-Backbone interact. energy: -0.470 local terms energy: -700.342002 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -141.417 flat angles C4'-P-C4' energy: -156.543 flat angles P-C4'-P energy: -95.991 tors. eta vs tors. theta energy: -170.012 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: 8, replica: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2133.572551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.572551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.572551 (E_RNA) where: Base-Base interactions energy: -1487.204 where: short stacking energy: -638.349 Base-Backbone interact. energy: 3.151 local terms energy: -649.519587 where: bonds (distance) C4'-P energy: -121.197 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -162.701 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -139.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1821.171379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.171379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.171379 (E_RNA) where: Base-Base interactions energy: -1279.370 where: short stacking energy: -550.437 Base-Backbone interact. energy: -3.191 local terms energy: -538.609952 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -122.863 flat angles C4'-P-C4' energy: -139.584 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -119.385 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1385.838658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.838658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.838658 (E_RNA) where: Base-Base interactions energy: -901.308 where: short stacking energy: -407.890 Base-Backbone interact. energy: 5.992 local terms energy: -490.522167 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -132.130 flat angles C4'-P-C4' energy: -129.752 flat angles P-C4'-P energy: -66.672 tors. eta vs tors. theta energy: -52.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3056.035015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.035015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.035015 (E_RNA) where: Base-Base interactions energy: -2181.005 where: short stacking energy: -882.803 Base-Backbone interact. energy: -5.123 local terms energy: -869.906683 where: bonds (distance) C4'-P energy: -164.469 bonds (distance) P-C4' energy: -148.435 flat angles C4'-P-C4' energy: -189.863 flat angles P-C4'-P energy: -124.160 tors. eta vs tors. theta energy: -242.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2900.179143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.179143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.179143 (E_RNA) where: Base-Base interactions energy: -2053.631 where: short stacking energy: -877.767 Base-Backbone interact. energy: -1.759 local terms energy: -844.788706 where: bonds (distance) C4'-P energy: -151.731 bonds (distance) P-C4' energy: -147.972 flat angles C4'-P-C4' energy: -184.357 flat angles P-C4'-P energy: -128.625 tors. eta vs tors. theta energy: -232.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2894.346097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.346097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.346097 (E_RNA) where: Base-Base interactions energy: -2045.221 where: short stacking energy: -880.787 Base-Backbone interact. energy: -2.433 local terms energy: -846.692564 where: bonds (distance) C4'-P energy: -154.525 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -175.645 flat angles P-C4'-P energy: -115.566 tors. eta vs tors. theta energy: -244.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2643.940145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.940145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.940145 (E_RNA) where: Base-Base interactions energy: -1896.925 where: short stacking energy: -791.004 Base-Backbone interact. energy: 2.911 local terms energy: -749.925496 where: bonds (distance) C4'-P energy: -144.844 bonds (distance) P-C4' energy: -138.549 flat angles C4'-P-C4' energy: -174.196 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -195.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2520.095771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.095771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.095771 (E_RNA) where: Base-Base interactions energy: -1768.985 where: short stacking energy: -784.384 Base-Backbone interact. energy: -4.346 local terms energy: -746.764829 where: bonds (distance) C4'-P energy: -133.332 bonds (distance) P-C4' energy: -147.881 flat angles C4'-P-C4' energy: -146.476 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -207.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2478.228936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.228936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.228936 (E_RNA) where: Base-Base interactions energy: -1730.912 where: short stacking energy: -736.122 Base-Backbone interact. energy: -4.561 local terms energy: -742.755797 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -124.182 flat angles C4'-P-C4' energy: -168.923 flat angles P-C4'-P energy: -104.394 tors. eta vs tors. theta energy: -192.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2245.416928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.416928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.416928 (E_RNA) where: Base-Base interactions energy: -1578.657 where: short stacking energy: -718.626 Base-Backbone interact. energy: 3.392 local terms energy: -670.151979 where: bonds (distance) C4'-P energy: -111.213 bonds (distance) P-C4' energy: -149.940 flat angles C4'-P-C4' energy: -150.559 flat angles P-C4'-P energy: -77.325 tors. eta vs tors. theta energy: -181.116 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: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2104.527710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.527710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.527710 (E_RNA) where: Base-Base interactions energy: -1483.326 where: short stacking energy: -625.758 Base-Backbone interact. energy: -2.743 local terms energy: -618.458661 where: bonds (distance) C4'-P energy: -118.717 bonds (distance) P-C4' energy: -126.626 flat angles C4'-P-C4' energy: -149.929 flat angles P-C4'-P energy: -80.799 tors. eta vs tors. theta energy: -142.387 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: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1848.645931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.645931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.645931 (E_RNA) where: Base-Base interactions energy: -1283.764 where: short stacking energy: -559.736 Base-Backbone interact. energy: -1.635 local terms energy: -563.247007 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -114.136 flat angles C4'-P-C4' energy: -141.284 flat angles P-C4'-P energy: -68.159 tors. eta vs tors. theta energy: -111.936 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: 10, replica: 1 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1384.640156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.640156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.640156 (E_RNA) where: Base-Base interactions energy: -897.848 where: short stacking energy: -413.687 Base-Backbone interact. energy: 1.298 local terms energy: -488.091079 where: bonds (distance) C4'-P energy: -129.119 bonds (distance) P-C4' energy: -138.375 flat angles C4'-P-C4' energy: -110.293 flat angles P-C4'-P energy: -57.345 tors. eta vs tors. theta energy: -52.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3021.300467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.300467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.300467 (E_RNA) where: Base-Base interactions energy: -2128.813 where: short stacking energy: -856.162 Base-Backbone interact. energy: -8.219 local terms energy: -884.268336 where: bonds (distance) C4'-P energy: -160.868 bonds (distance) P-C4' energy: -164.534 flat angles C4'-P-C4' energy: -190.383 flat angles P-C4'-P energy: -123.162 tors. eta vs tors. theta energy: -245.322 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: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2954.009103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.009103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.009103 (E_RNA) where: Base-Base interactions energy: -2115.129 where: short stacking energy: -905.494 Base-Backbone interact. energy: -5.034 local terms energy: -833.845613 where: bonds (distance) C4'-P energy: -154.704 bonds (distance) P-C4' energy: -148.652 flat angles C4'-P-C4' energy: -187.609 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -237.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2858.834215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.834215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.834215 (E_RNA) where: Base-Base interactions energy: -2046.345 where: short stacking energy: -873.359 Base-Backbone interact. energy: -0.610 local terms energy: -811.879593 where: bonds (distance) C4'-P energy: -140.817 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -173.071 flat angles P-C4'-P energy: -113.594 tors. eta vs tors. theta energy: -230.660 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: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2685.223346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.223346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.223346 (E_RNA) where: Base-Base interactions energy: -1898.800 where: short stacking energy: -796.807 Base-Backbone interact. energy: -0.525 local terms energy: -785.898522 where: bonds (distance) C4'-P energy: -144.686 bonds (distance) P-C4' energy: -143.255 flat angles C4'-P-C4' energy: -176.890 flat angles P-C4'-P energy: -106.237 tors. eta vs tors. theta energy: -214.832 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: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2506.640147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.640147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.640147 (E_RNA) where: Base-Base interactions energy: -1739.535 where: short stacking energy: -782.542 Base-Backbone interact. energy: -1.786 local terms energy: -765.319282 where: bonds (distance) C4'-P energy: -138.240 bonds (distance) P-C4' energy: -160.932 flat angles C4'-P-C4' energy: -147.781 flat angles P-C4'-P energy: -107.134 tors. eta vs tors. theta energy: -211.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2484.038218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.038218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.038218 (E_RNA) where: Base-Base interactions energy: -1768.470 where: short stacking energy: -713.836 Base-Backbone interact. energy: -2.682 local terms energy: -712.886466 where: bonds (distance) C4'-P energy: -125.101 bonds (distance) P-C4' energy: -138.720 flat angles C4'-P-C4' energy: -148.541 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -185.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2217.446044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.446044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.446044 (E_RNA) where: Base-Base interactions energy: -1541.264 where: short stacking energy: -666.251 Base-Backbone interact. energy: -1.164 local terms energy: -675.018079 where: bonds (distance) C4'-P energy: -134.837 bonds (distance) P-C4' energy: -139.370 flat angles C4'-P-C4' energy: -144.508 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -162.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2160.462144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.462144 (E_RNA) where: Base-Base interactions energy: -1539.694 where: short stacking energy: -650.993 Base-Backbone interact. energy: 0.180 local terms energy: -620.948358 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -118.486 flat angles C4'-P-C4' energy: -154.589 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -155.598 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: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1843.239970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.239970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.239970 (E_RNA) where: Base-Base interactions energy: -1253.106 where: short stacking energy: -554.338 Base-Backbone interact. energy: -0.337 local terms energy: -589.796464 where: bonds (distance) C4'-P energy: -109.966 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -136.808 flat angles P-C4'-P energy: -82.664 tors. eta vs tors. theta energy: -106.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1487.196195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.196195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.196195 (E_RNA) where: Base-Base interactions energy: -977.508 where: short stacking energy: -459.389 Base-Backbone interact. energy: 1.252 local terms energy: -510.939622 where: bonds (distance) C4'-P energy: -122.695 bonds (distance) P-C4' energy: -137.361 flat angles C4'-P-C4' energy: -110.495 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -72.262 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: 324 Temperature: 0.900000 Total energy: -3028.295388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.295388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.295388 (E_RNA) where: Base-Base interactions energy: -2155.093 where: short stacking energy: -889.838 Base-Backbone interact. energy: -7.449 local terms energy: -865.753891 where: bonds (distance) C4'-P energy: -152.660 bonds (distance) P-C4' energy: -160.777 flat angles C4'-P-C4' energy: -182.812 flat angles P-C4'-P energy: -134.846 tors. eta vs tors. theta energy: -234.659 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: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2948.411364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.411364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.411364 (E_RNA) where: Base-Base interactions energy: -2092.774 where: short stacking energy: -901.446 Base-Backbone interact. energy: -3.063 local terms energy: -852.574488 where: bonds (distance) C4'-P energy: -158.379 bonds (distance) P-C4' energy: -151.926 flat angles C4'-P-C4' energy: -179.799 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -241.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2861.989090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.989090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.989090 (E_RNA) where: Base-Base interactions energy: -2047.282 where: short stacking energy: -841.920 Base-Backbone interact. energy: -1.629 local terms energy: -813.077525 where: bonds (distance) C4'-P energy: -139.077 bonds (distance) P-C4' energy: -156.469 flat angles C4'-P-C4' energy: -166.904 flat angles P-C4'-P energy: -118.223 tors. eta vs tors. theta energy: -232.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2639.044354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.044354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.044354 (E_RNA) where: Base-Base interactions energy: -1876.685 where: short stacking energy: -786.418 Base-Backbone interact. energy: -1.411 local terms energy: -760.948001 where: bonds (distance) C4'-P energy: -140.858 bonds (distance) P-C4' energy: -124.355 flat angles C4'-P-C4' energy: -184.965 flat angles P-C4'-P energy: -99.630 tors. eta vs tors. theta energy: -211.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2518.378960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.378960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.378960 (E_RNA) where: Base-Base interactions energy: -1770.617 where: short stacking energy: -780.955 Base-Backbone interact. energy: 2.092 local terms energy: -749.853795 where: bonds (distance) C4'-P energy: -139.265 bonds (distance) P-C4' energy: -149.146 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -112.215 tors. eta vs tors. theta energy: -197.496 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: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2439.987259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.987259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.987259 (E_RNA) where: Base-Base interactions energy: -1724.538 where: short stacking energy: -701.554 Base-Backbone interact. energy: -2.642 local terms energy: -712.807764 where: bonds (distance) C4'-P energy: -128.267 bonds (distance) P-C4' energy: -144.604 flat angles C4'-P-C4' energy: -159.209 flat angles P-C4'-P energy: -95.372 tors. eta vs tors. theta energy: -185.355 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2280.207837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.207837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.207837 (E_RNA) where: Base-Base interactions energy: -1598.492 where: short stacking energy: -641.035 Base-Backbone interact. energy: -3.432 local terms energy: -678.283445 where: bonds (distance) C4'-P energy: -139.400 bonds (distance) P-C4' energy: -124.175 flat angles C4'-P-C4' energy: -156.638 flat angles P-C4'-P energy: -96.113 tors. eta vs tors. theta energy: -161.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2118.319736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.319736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.319736 (E_RNA) where: Base-Base interactions energy: -1462.538 where: short stacking energy: -655.683 Base-Backbone interact. energy: -0.375 local terms energy: -655.406360 where: bonds (distance) C4'-P energy: -146.121 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -143.272 flat angles P-C4'-P energy: -92.819 tors. eta vs tors. theta energy: -154.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1847.732158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.732158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.732158 (E_RNA) where: Base-Base interactions energy: -1263.951 where: short stacking energy: -528.357 Base-Backbone interact. energy: -1.368 local terms energy: -582.413809 where: bonds (distance) C4'-P energy: -117.579 bonds (distance) P-C4' energy: -123.237 flat angles C4'-P-C4' energy: -149.793 flat angles P-C4'-P energy: -88.569 tors. eta vs tors. theta energy: -103.235 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: 10, replica: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1377.405835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.405835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.405835 (E_RNA) where: Base-Base interactions energy: -893.506 where: short stacking energy: -418.358 Base-Backbone interact. energy: -2.884 local terms energy: -481.016393 where: bonds (distance) C4'-P energy: -102.699 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -125.177 flat angles P-C4'-P energy: -65.818 tors. eta vs tors. theta energy: -55.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3030.238152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.238152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.238152 (E_RNA) where: Base-Base interactions energy: -2155.820 where: short stacking energy: -878.758 Base-Backbone interact. energy: -4.744 local terms energy: -869.674964 where: bonds (distance) C4'-P energy: -163.357 bonds (distance) P-C4' energy: -157.123 flat angles C4'-P-C4' energy: -190.206 flat angles P-C4'-P energy: -120.501 tors. eta vs tors. theta energy: -238.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2956.431985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.431985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.431985 (E_RNA) where: Base-Base interactions energy: -2094.224 where: short stacking energy: -897.746 Base-Backbone interact. energy: -3.508 local terms energy: -858.699397 where: bonds (distance) C4'-P energy: -157.623 bonds (distance) P-C4' energy: -155.151 flat angles C4'-P-C4' energy: -186.734 flat angles P-C4'-P energy: -113.883 tors. eta vs tors. theta energy: -245.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2898.573461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.573461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.573461 (E_RNA) where: Base-Base interactions energy: -2067.267 where: short stacking energy: -872.798 Base-Backbone interact. energy: -1.403 local terms energy: -829.903362 where: bonds (distance) C4'-P energy: -152.942 bonds (distance) P-C4' energy: -154.293 flat angles C4'-P-C4' energy: -179.934 flat angles P-C4'-P energy: -118.493 tors. eta vs tors. theta energy: -224.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2654.824888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.824888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.824888 (E_RNA) where: Base-Base interactions energy: -1883.826 where: short stacking energy: -769.959 Base-Backbone interact. energy: -3.495 local terms energy: -767.504144 where: bonds (distance) C4'-P energy: -128.635 bonds (distance) P-C4' energy: -156.416 flat angles C4'-P-C4' energy: -167.215 flat angles P-C4'-P energy: -109.835 tors. eta vs tors. theta energy: -205.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2471.364494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.364494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.364494 (E_RNA) where: Base-Base interactions energy: -1712.376 where: short stacking energy: -741.677 Base-Backbone interact. energy: 0.422 local terms energy: -759.410964 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -177.618 flat angles P-C4'-P energy: -120.439 tors. eta vs tors. theta energy: -198.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2443.910322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.910322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.910322 (E_RNA) where: Base-Base interactions energy: -1749.459 where: short stacking energy: -712.554 Base-Backbone interact. energy: -7.015 local terms energy: -687.436000 where: bonds (distance) C4'-P energy: -121.463 bonds (distance) P-C4' energy: -125.071 flat angles C4'-P-C4' energy: -161.496 flat angles P-C4'-P energy: -85.034 tors. eta vs tors. theta energy: -194.372 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: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2275.069563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.069563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.069563 (E_RNA) where: Base-Base interactions energy: -1596.533 where: short stacking energy: -654.183 Base-Backbone interact. energy: -5.119 local terms energy: -673.417373 where: bonds (distance) C4'-P energy: -153.683 bonds (distance) P-C4' energy: -135.763 flat angles C4'-P-C4' energy: -151.137 flat angles P-C4'-P energy: -86.013 tors. eta vs tors. theta energy: -146.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2109.493845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.493845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.493845 (E_RNA) where: Base-Base interactions energy: -1462.350 where: short stacking energy: -646.017 Base-Backbone interact. energy: 0.365 local terms energy: -647.508511 where: bonds (distance) C4'-P energy: -129.721 bonds (distance) P-C4' energy: -144.458 flat angles C4'-P-C4' energy: -137.927 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -157.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1815.578562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.578562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.578562 (E_RNA) where: Base-Base interactions energy: -1179.084 where: short stacking energy: -541.745 Base-Backbone interact. energy: 0.272 local terms energy: -636.766073 where: bonds (distance) C4'-P energy: -145.272 bonds (distance) P-C4' energy: -129.794 flat angles C4'-P-C4' energy: -143.332 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -117.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1318.480998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.480998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.480998 (E_RNA) where: Base-Base interactions energy: -856.144 where: short stacking energy: -397.584 Base-Backbone interact. energy: 4.822 local terms energy: -467.159549 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -111.185 flat angles C4'-P-C4' energy: -104.058 flat angles P-C4'-P energy: -74.209 tors. eta vs tors. theta energy: -46.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3026.451983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.451983 (E_RNA) where: Base-Base interactions energy: -2143.912 where: short stacking energy: -909.007 Base-Backbone interact. energy: -0.131 local terms energy: -882.409083 where: bonds (distance) C4'-P energy: -164.687 bonds (distance) P-C4' energy: -161.277 flat angles C4'-P-C4' energy: -180.885 flat angles P-C4'-P energy: -121.601 tors. eta vs tors. theta energy: -253.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2959.430042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.430042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.430042 (E_RNA) where: Base-Base interactions energy: -2113.034 where: short stacking energy: -887.183 Base-Backbone interact. energy: -5.966 local terms energy: -840.430310 where: bonds (distance) C4'-P energy: -152.885 bonds (distance) P-C4' energy: -139.287 flat angles C4'-P-C4' energy: -180.398 flat angles P-C4'-P energy: -131.107 tors. eta vs tors. theta energy: -236.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2877.724372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.724372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.724372 (E_RNA) where: Base-Base interactions energy: -2043.682 where: short stacking energy: -871.265 Base-Backbone interact. energy: -6.227 local terms energy: -827.815211 where: bonds (distance) C4'-P energy: -157.286 bonds (distance) P-C4' energy: -165.694 flat angles C4'-P-C4' energy: -164.997 flat angles P-C4'-P energy: -112.153 tors. eta vs tors. theta energy: -227.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2645.141685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.141685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.141685 (E_RNA) where: Base-Base interactions energy: -1881.843 where: short stacking energy: -803.359 Base-Backbone interact. energy: -2.626 local terms energy: -760.672787 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -137.208 flat angles C4'-P-C4' energy: -168.762 flat angles P-C4'-P energy: -109.031 tors. eta vs tors. theta energy: -214.909 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: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2509.360083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.360083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.360083 (E_RNA) where: Base-Base interactions energy: -1779.979 where: short stacking energy: -729.308 Base-Backbone interact. energy: -2.500 local terms energy: -726.881241 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -151.152 flat angles C4'-P-C4' energy: -169.449 flat angles P-C4'-P energy: -99.730 tors. eta vs tors. theta energy: -188.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2359.054093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.054093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.054093 (E_RNA) where: Base-Base interactions energy: -1668.341 where: short stacking energy: -676.328 Base-Backbone interact. energy: -1.176 local terms energy: -689.536454 where: bonds (distance) C4'-P energy: -131.889 bonds (distance) P-C4' energy: -130.775 flat angles C4'-P-C4' energy: -143.174 flat angles P-C4'-P energy: -107.623 tors. eta vs tors. theta energy: -176.076 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: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2273.615520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.615520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.615520 (E_RNA) where: Base-Base interactions energy: -1601.904 where: short stacking energy: -676.133 Base-Backbone interact. energy: 2.779 local terms energy: -674.490367 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -130.730 flat angles C4'-P-C4' energy: -151.781 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -151.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2120.781473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.781473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.781473 (E_RNA) where: Base-Base interactions energy: -1468.870 where: short stacking energy: -649.186 Base-Backbone interact. energy: 1.560 local terms energy: -653.471948 where: bonds (distance) C4'-P energy: -110.451 bonds (distance) P-C4' energy: -146.912 flat angles C4'-P-C4' energy: -154.107 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -158.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1809.702542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.702542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.702542 (E_RNA) where: Base-Base interactions energy: -1251.425 where: short stacking energy: -562.613 Base-Backbone interact. energy: 1.240 local terms energy: -559.518004 where: bonds (distance) C4'-P energy: -115.036 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -121.449 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -107.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1339.269686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.269686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.269686 (E_RNA) where: Base-Base interactions energy: -870.783 where: short stacking energy: -409.601 Base-Backbone interact. energy: -2.643 local terms energy: -465.844577 where: bonds (distance) C4'-P energy: -120.078 bonds (distance) P-C4' energy: -122.269 flat angles C4'-P-C4' energy: -97.182 flat angles P-C4'-P energy: -59.646 tors. eta vs tors. theta energy: -66.669 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3019.441376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.441376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.441376 (E_RNA) where: Base-Base interactions energy: -2147.897 where: short stacking energy: -905.130 Base-Backbone interact. energy: -0.736 local terms energy: -870.808474 where: bonds (distance) C4'-P energy: -148.969 bonds (distance) P-C4' energy: -167.953 flat angles C4'-P-C4' energy: -180.029 flat angles P-C4'-P energy: -118.382 tors. eta vs tors. theta energy: -255.475 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: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2958.139787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.139787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.139787 (E_RNA) where: Base-Base interactions energy: -2123.760 where: short stacking energy: -861.140 Base-Backbone interact. energy: -0.267 local terms energy: -834.112547 where: bonds (distance) C4'-P energy: -151.842 bonds (distance) P-C4' energy: -153.983 flat angles C4'-P-C4' energy: -179.856 flat angles P-C4'-P energy: -115.027 tors. eta vs tors. theta energy: -233.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2885.723082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.723082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.723082 (E_RNA) where: Base-Base interactions energy: -2038.560 where: short stacking energy: -847.823 Base-Backbone interact. energy: -0.453 local terms energy: -846.710250 where: bonds (distance) C4'-P energy: -164.450 bonds (distance) P-C4' energy: -158.101 flat angles C4'-P-C4' energy: -168.695 flat angles P-C4'-P energy: -126.994 tors. eta vs tors. theta energy: -228.470 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: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2688.221638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.221638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.221638 (E_RNA) where: Base-Base interactions energy: -1906.483 where: short stacking energy: -820.274 Base-Backbone interact. energy: -6.068 local terms energy: -775.671239 where: bonds (distance) C4'-P energy: -147.124 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -167.455 flat angles P-C4'-P energy: -102.477 tors. eta vs tors. theta energy: -208.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2520.101111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.101111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.101111 (E_RNA) where: Base-Base interactions energy: -1798.519 where: short stacking energy: -750.886 Base-Backbone interact. energy: 1.359 local terms energy: -722.941629 where: bonds (distance) C4'-P energy: -126.666 bonds (distance) P-C4' energy: -134.275 flat angles C4'-P-C4' energy: -158.956 flat angles P-C4'-P energy: -97.609 tors. eta vs tors. theta energy: -205.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2371.942314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.942314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.942314 (E_RNA) where: Base-Base interactions energy: -1678.003 where: short stacking energy: -723.279 Base-Backbone interact. energy: -4.006 local terms energy: -689.933371 where: bonds (distance) C4'-P energy: -130.860 bonds (distance) P-C4' energy: -131.270 flat angles C4'-P-C4' energy: -165.741 flat angles P-C4'-P energy: -85.067 tors. eta vs tors. theta energy: -176.995 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: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2284.456605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.456605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.456605 (E_RNA) where: Base-Base interactions energy: -1605.984 where: short stacking energy: -657.658 Base-Backbone interact. energy: -3.124 local terms energy: -675.348621 where: bonds (distance) C4'-P energy: -129.768 bonds (distance) P-C4' energy: -139.678 flat angles C4'-P-C4' energy: -154.114 flat angles P-C4'-P energy: -91.884 tors. eta vs tors. theta energy: -159.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2095.559991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.559991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.559991 (E_RNA) where: Base-Base interactions energy: -1434.202 where: short stacking energy: -616.708 Base-Backbone interact. energy: -1.680 local terms energy: -659.677360 where: bonds (distance) C4'-P energy: -126.072 bonds (distance) P-C4' energy: -156.773 flat angles C4'-P-C4' energy: -140.843 flat angles P-C4'-P energy: -86.417 tors. eta vs tors. theta energy: -149.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1833.307851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.307851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.307851 (E_RNA) where: Base-Base interactions energy: -1258.694 where: short stacking energy: -564.152 Base-Backbone interact. energy: 7.579 local terms energy: -582.193011 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -108.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1363.498937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.498937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.498937 (E_RNA) where: Base-Base interactions energy: -881.003 where: short stacking energy: -393.777 Base-Backbone interact. energy: -0.598 local terms energy: -481.897274 where: bonds (distance) C4'-P energy: -126.002 bonds (distance) P-C4' energy: -127.508 flat angles C4'-P-C4' energy: -118.305 flat angles P-C4'-P energy: -65.813 tors. eta vs tors. theta energy: -44.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3041.497406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.497406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.497406 (E_RNA) where: Base-Base interactions energy: -2148.158 where: short stacking energy: -899.571 Base-Backbone interact. energy: -0.337 local terms energy: -893.001905 where: bonds (distance) C4'-P energy: -172.240 bonds (distance) P-C4' energy: -148.528 flat angles C4'-P-C4' energy: -193.330 flat angles P-C4'-P energy: -127.060 tors. eta vs tors. theta energy: -251.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2947.881597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.881597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.881597 (E_RNA) where: Base-Base interactions energy: -2113.433 where: short stacking energy: -871.793 Base-Backbone interact. energy: -4.329 local terms energy: -830.120205 where: bonds (distance) C4'-P energy: -160.907 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -181.845 flat angles P-C4'-P energy: -114.821 tors. eta vs tors. theta energy: -231.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2865.258500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.258500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.258500 (E_RNA) where: Base-Base interactions energy: -2032.984 where: short stacking energy: -856.707 Base-Backbone interact. energy: 0.265 local terms energy: -832.539607 where: bonds (distance) C4'-P energy: -139.572 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -180.467 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -234.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2688.416533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.416533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.416533 (E_RNA) where: Base-Base interactions energy: -1910.232 where: short stacking energy: -800.302 Base-Backbone interact. energy: 1.234 local terms energy: -779.418557 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -149.998 flat angles C4'-P-C4' energy: -160.294 flat angles P-C4'-P energy: -115.987 tors. eta vs tors. theta energy: -207.709 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: 5, replica: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2513.802080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.802080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.802080 (E_RNA) where: Base-Base interactions energy: -1772.585 where: short stacking energy: -735.584 Base-Backbone interact. energy: -2.633 local terms energy: -738.584306 where: bonds (distance) C4'-P energy: -141.840 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -161.048 flat angles P-C4'-P energy: -104.741 tors. eta vs tors. theta energy: -177.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2401.815263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.815263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.815263 (E_RNA) where: Base-Base interactions energy: -1689.643 where: short stacking energy: -712.414 Base-Backbone interact. energy: -2.657 local terms energy: -709.515209 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -129.739 flat angles C4'-P-C4' energy: -150.369 flat angles P-C4'-P energy: -110.047 tors. eta vs tors. theta energy: -174.547 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: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2376.177904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.177904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.177904 (E_RNA) where: Base-Base interactions energy: -1658.172 where: short stacking energy: -695.656 Base-Backbone interact. energy: -1.324 local terms energy: -716.681755 where: bonds (distance) C4'-P energy: -125.948 bonds (distance) P-C4' energy: -166.366 flat angles C4'-P-C4' energy: -154.940 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -174.330 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: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2087.016622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.016622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.016622 (E_RNA) where: Base-Base interactions energy: -1430.501 where: short stacking energy: -637.089 Base-Backbone interact. energy: 0.523 local terms energy: -657.038753 where: bonds (distance) C4'-P energy: -119.959 bonds (distance) P-C4' energy: -125.477 flat angles C4'-P-C4' energy: -147.081 flat angles P-C4'-P energy: -91.319 tors. eta vs tors. theta energy: -173.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1862.843207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.843207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.843207 (E_RNA) where: Base-Base interactions energy: -1250.078 where: short stacking energy: -560.457 Base-Backbone interact. energy: 0.910 local terms energy: -613.675521 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -138.992 flat angles C4'-P-C4' energy: -146.522 flat angles P-C4'-P energy: -83.959 tors. eta vs tors. theta energy: -117.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1351.180718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.180718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.180718 (E_RNA) where: Base-Base interactions energy: -877.611 where: short stacking energy: -397.583 Base-Backbone interact. energy: -0.528 local terms energy: -473.041390 where: bonds (distance) C4'-P energy: -135.644 bonds (distance) P-C4' energy: -108.375 flat angles C4'-P-C4' energy: -124.775 flat angles P-C4'-P energy: -68.521 tors. eta vs tors. theta energy: -35.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3018.193596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.193596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.193596 (E_RNA) where: Base-Base interactions energy: -2152.794 where: short stacking energy: -924.553 Base-Backbone interact. energy: 2.427 local terms energy: -867.826452 where: bonds (distance) C4'-P energy: -144.499 bonds (distance) P-C4' energy: -148.741 flat angles C4'-P-C4' energy: -192.573 flat angles P-C4'-P energy: -121.913 tors. eta vs tors. theta energy: -260.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2953.136059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.136059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.136059 (E_RNA) where: Base-Base interactions energy: -2122.326 where: short stacking energy: -867.708 Base-Backbone interact. energy: -5.506 local terms energy: -825.304116 where: bonds (distance) C4'-P energy: -158.152 bonds (distance) P-C4' energy: -144.616 flat angles C4'-P-C4' energy: -187.217 flat angles P-C4'-P energy: -101.294 tors. eta vs tors. theta energy: -234.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2879.931786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.931786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.931786 (E_RNA) where: Base-Base interactions energy: -2054.930 where: short stacking energy: -857.219 Base-Backbone interact. energy: -6.469 local terms energy: -818.532444 where: bonds (distance) C4'-P energy: -133.090 bonds (distance) P-C4' energy: -150.208 flat angles C4'-P-C4' energy: -183.788 flat angles P-C4'-P energy: -117.652 tors. eta vs tors. theta energy: -233.795 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: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2669.960313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.960313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.960313 (E_RNA) where: Base-Base interactions energy: -1876.273 where: short stacking energy: -786.474 Base-Backbone interact. energy: -5.604 local terms energy: -788.083857 where: bonds (distance) C4'-P energy: -142.207 bonds (distance) P-C4' energy: -145.535 flat angles C4'-P-C4' energy: -177.287 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -212.161 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: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2524.378571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.378571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.378571 (E_RNA) where: Base-Base interactions energy: -1780.978 where: short stacking energy: -736.461 Base-Backbone interact. energy: -3.065 local terms energy: -740.335754 where: bonds (distance) C4'-P energy: -141.915 bonds (distance) P-C4' energy: -139.719 flat angles C4'-P-C4' energy: -155.332 flat angles P-C4'-P energy: -108.753 tors. eta vs tors. theta energy: -194.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2391.032185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.032185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.032185 (E_RNA) where: Base-Base interactions energy: -1689.900 where: short stacking energy: -691.800 Base-Backbone interact. energy: -5.739 local terms energy: -695.392284 where: bonds (distance) C4'-P energy: -119.220 bonds (distance) P-C4' energy: -138.936 flat angles C4'-P-C4' energy: -164.479 flat angles P-C4'-P energy: -82.415 tors. eta vs tors. theta energy: -190.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2411.107853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.107853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.107853 (E_RNA) where: Base-Base interactions energy: -1744.677 where: short stacking energy: -727.609 Base-Backbone interact. energy: -2.626 local terms energy: -663.805421 where: bonds (distance) C4'-P energy: -103.855 bonds (distance) P-C4' energy: -130.680 flat angles C4'-P-C4' energy: -158.709 flat angles P-C4'-P energy: -83.714 tors. eta vs tors. theta energy: -186.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2091.539167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.539167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.539167 (E_RNA) where: Base-Base interactions energy: -1473.480 where: short stacking energy: -604.686 Base-Backbone interact. energy: -2.099 local terms energy: -615.959925 where: bonds (distance) C4'-P energy: -121.357 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -153.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1834.125783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.125783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.125783 (E_RNA) where: Base-Base interactions energy: -1224.450 where: short stacking energy: -520.492 Base-Backbone interact. energy: -1.432 local terms energy: -608.244459 where: bonds (distance) C4'-P energy: -109.469 bonds (distance) P-C4' energy: -132.732 flat angles C4'-P-C4' energy: -144.496 flat angles P-C4'-P energy: -96.508 tors. eta vs tors. theta energy: -125.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1319.258725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.258725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.258725 (E_RNA) where: Base-Base interactions energy: -834.481 where: short stacking energy: -385.851 Base-Backbone interact. energy: -1.924 local terms energy: -482.853587 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -128.058 flat angles C4'-P-C4' energy: -111.985 flat angles P-C4'-P energy: -85.778 tors. eta vs tors. theta energy: -46.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3030.645604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.645604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.645604 (E_RNA) where: Base-Base interactions energy: -2138.338 where: short stacking energy: -922.212 Base-Backbone interact. energy: -5.189 local terms energy: -887.118221 where: bonds (distance) C4'-P energy: -153.737 bonds (distance) P-C4' energy: -161.474 flat angles C4'-P-C4' energy: -189.448 flat angles P-C4'-P energy: -127.881 tors. eta vs tors. theta energy: -254.579 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2990.283053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.283053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.283053 (E_RNA) where: Base-Base interactions energy: -2152.160 where: short stacking energy: -895.629 Base-Backbone interact. energy: -3.598 local terms energy: -834.525560 where: bonds (distance) C4'-P energy: -143.040 bonds (distance) P-C4' energy: -158.562 flat angles C4'-P-C4' energy: -176.741 flat angles P-C4'-P energy: -115.171 tors. eta vs tors. theta energy: -241.012 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: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2884.115588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.115588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.115588 (E_RNA) where: Base-Base interactions energy: -2051.501 where: short stacking energy: -881.121 Base-Backbone interact. energy: -2.079 local terms energy: -830.536409 where: bonds (distance) C4'-P energy: -140.498 bonds (distance) P-C4' energy: -161.106 flat angles C4'-P-C4' energy: -178.642 flat angles P-C4'-P energy: -118.259 tors. eta vs tors. theta energy: -232.031 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: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2715.900829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.900829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.900829 (E_RNA) where: Base-Base interactions energy: -1916.846 where: short stacking energy: -792.561 Base-Backbone interact. energy: -5.837 local terms energy: -793.218398 where: bonds (distance) C4'-P energy: -142.600 bonds (distance) P-C4' energy: -158.153 flat angles C4'-P-C4' energy: -172.916 flat angles P-C4'-P energy: -111.602 tors. eta vs tors. theta energy: -207.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2544.870679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.870679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.870679 (E_RNA) where: Base-Base interactions energy: -1813.714 where: short stacking energy: -749.480 Base-Backbone interact. energy: -1.432 local terms energy: -729.723929 where: bonds (distance) C4'-P energy: -133.081 bonds (distance) P-C4' energy: -152.635 flat angles C4'-P-C4' energy: -154.767 flat angles P-C4'-P energy: -111.066 tors. eta vs tors. theta energy: -178.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2382.345923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.345923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.345923 (E_RNA) where: Base-Base interactions energy: -1688.629 where: short stacking energy: -724.411 Base-Backbone interact. energy: 6.353 local terms energy: -700.069609 where: bonds (distance) C4'-P energy: -138.516 bonds (distance) P-C4' energy: -135.255 flat angles C4'-P-C4' energy: -154.525 flat angles P-C4'-P energy: -88.572 tors. eta vs tors. theta energy: -183.202 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: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2339.417484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.417484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.417484 (E_RNA) where: Base-Base interactions energy: -1662.422 where: short stacking energy: -696.999 Base-Backbone interact. energy: -2.878 local terms energy: -674.117438 where: bonds (distance) C4'-P energy: -94.582 bonds (distance) P-C4' energy: -150.993 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -108.556 tors. eta vs tors. theta energy: -165.902 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: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2126.229466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.229466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.229466 (E_RNA) where: Base-Base interactions energy: -1469.311 where: short stacking energy: -616.794 Base-Backbone interact. energy: -0.414 local terms energy: -656.504263 where: bonds (distance) C4'-P energy: -135.141 bonds (distance) P-C4' energy: -146.927 flat angles C4'-P-C4' energy: -140.890 flat angles P-C4'-P energy: -83.349 tors. eta vs tors. theta energy: -150.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1820.427911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.427911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.427911 (E_RNA) where: Base-Base interactions energy: -1237.454 where: short stacking energy: -542.810 Base-Backbone interact. energy: -0.731 local terms energy: -582.242701 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -129.361 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -132.083 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: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1425.639078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.639078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.639078 (E_RNA) where: Base-Base interactions energy: -909.480 where: short stacking energy: -418.139 Base-Backbone interact. energy: -1.880 local terms energy: -514.279461 where: bonds (distance) C4'-P energy: -118.989 bonds (distance) P-C4' energy: -124.024 flat angles C4'-P-C4' energy: -140.334 flat angles P-C4'-P energy: -63.945 tors. eta vs tors. theta energy: -66.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2983.463734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.463734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.463734 (E_RNA) where: Base-Base interactions energy: -2126.400 where: short stacking energy: -885.109 Base-Backbone interact. energy: -1.912 local terms energy: -855.151754 where: bonds (distance) C4'-P energy: -162.444 bonds (distance) P-C4' energy: -153.897 flat angles C4'-P-C4' energy: -177.589 flat angles P-C4'-P energy: -123.593 tors. eta vs tors. theta energy: -237.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2960.498146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.498146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.498146 (E_RNA) where: Base-Base interactions energy: -2096.855 where: short stacking energy: -869.482 Base-Backbone interact. energy: -3.715 local terms energy: -859.927826 where: bonds (distance) C4'-P energy: -152.098 bonds (distance) P-C4' energy: -156.985 flat angles C4'-P-C4' energy: -186.346 flat angles P-C4'-P energy: -120.492 tors. eta vs tors. theta energy: -244.008 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: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2923.949548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.949548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.949548 (E_RNA) where: Base-Base interactions energy: -2115.377 where: short stacking energy: -862.001 Base-Backbone interact. energy: -2.101 local terms energy: -806.472099 where: bonds (distance) C4'-P energy: -138.426 bonds (distance) P-C4' energy: -144.366 flat angles C4'-P-C4' energy: -168.014 flat angles P-C4'-P energy: -114.732 tors. eta vs tors. theta energy: -240.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2731.761953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.761953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.761953 (E_RNA) where: Base-Base interactions energy: -1919.257 where: short stacking energy: -825.434 Base-Backbone interact. energy: -3.352 local terms energy: -809.153533 where: bonds (distance) C4'-P energy: -149.303 bonds (distance) P-C4' energy: -155.150 flat angles C4'-P-C4' energy: -173.819 flat angles P-C4'-P energy: -104.375 tors. eta vs tors. theta energy: -226.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2570.923027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.923027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.923027 (E_RNA) where: Base-Base interactions energy: -1815.047 where: short stacking energy: -757.694 Base-Backbone interact. energy: -4.530 local terms energy: -751.345847 where: bonds (distance) C4'-P energy: -128.599 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -184.206 flat angles P-C4'-P energy: -102.380 tors. eta vs tors. theta energy: -201.592 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: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2388.797577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.797577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.797577 (E_RNA) where: Base-Base interactions energy: -1717.639 where: short stacking energy: -728.329 Base-Backbone interact. energy: -0.997 local terms energy: -670.161642 where: bonds (distance) C4'-P energy: -125.892 bonds (distance) P-C4' energy: -127.080 flat angles C4'-P-C4' energy: -142.552 flat angles P-C4'-P energy: -100.789 tors. eta vs tors. theta energy: -173.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2317.919279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.919279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.919279 (E_RNA) where: Base-Base interactions energy: -1625.285 where: short stacking energy: -701.343 Base-Backbone interact. energy: 1.955 local terms energy: -694.589529 where: bonds (distance) C4'-P energy: -129.429 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -153.190 flat angles P-C4'-P energy: -98.334 tors. eta vs tors. theta energy: -176.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2053.417467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.417467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.417467 (E_RNA) where: Base-Base interactions energy: -1426.895 where: short stacking energy: -576.284 Base-Backbone interact. energy: -2.304 local terms energy: -624.218325 where: bonds (distance) C4'-P energy: -130.906 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -151.342 flat angles P-C4'-P energy: -100.605 tors. eta vs tors. theta energy: -131.900 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: 5 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1847.303672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.303672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.303672 (E_RNA) where: Base-Base interactions energy: -1259.861 where: short stacking energy: -567.267 Base-Backbone interact. energy: 3.074 local terms energy: -590.517592 where: bonds (distance) C4'-P energy: -108.146 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -111.174 flat angles P-C4'-P energy: -98.726 tors. eta vs tors. theta energy: -128.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1360.664336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.664336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.664336 (E_RNA) where: Base-Base interactions energy: -894.194 where: short stacking energy: -397.721 Base-Backbone interact. energy: -0.541 local terms energy: -465.928858 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -96.650 flat angles C4'-P-C4' energy: -111.682 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -68.124 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: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3013.359032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.359032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.359032 (E_RNA) where: Base-Base interactions energy: -2122.950 where: short stacking energy: -906.281 Base-Backbone interact. energy: -0.540 local terms energy: -889.869253 where: bonds (distance) C4'-P energy: -155.284 bonds (distance) P-C4' energy: -168.692 flat angles C4'-P-C4' energy: -187.981 flat angles P-C4'-P energy: -133.950 tors. eta vs tors. theta energy: -243.962 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: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2965.436642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.436642 (E_RNA) where: Base-Base interactions energy: -2110.491 where: short stacking energy: -888.720 Base-Backbone interact. energy: -3.325 local terms energy: -851.620958 where: bonds (distance) C4'-P energy: -158.968 bonds (distance) P-C4' energy: -151.156 flat angles C4'-P-C4' energy: -177.904 flat angles P-C4'-P energy: -129.068 tors. eta vs tors. theta energy: -234.526 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2871.964686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.964686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.964686 (E_RNA) where: Base-Base interactions energy: -2037.431 where: short stacking energy: -833.479 Base-Backbone interact. energy: -1.859 local terms energy: -832.674468 where: bonds (distance) C4'-P energy: -145.638 bonds (distance) P-C4' energy: -172.674 flat angles C4'-P-C4' energy: -179.310 flat angles P-C4'-P energy: -104.183 tors. eta vs tors. theta energy: -230.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2683.986679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.986679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.986679 (E_RNA) where: Base-Base interactions energy: -1898.732 where: short stacking energy: -815.676 Base-Backbone interact. energy: -6.417 local terms energy: -778.837174 where: bonds (distance) C4'-P energy: -142.056 bonds (distance) P-C4' energy: -142.909 flat angles C4'-P-C4' energy: -163.143 flat angles P-C4'-P energy: -121.664 tors. eta vs tors. theta energy: -209.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2525.052272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.052272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.052272 (E_RNA) where: Base-Base interactions energy: -1819.495 where: short stacking energy: -731.082 Base-Backbone interact. energy: -2.695 local terms energy: -702.862406 where: bonds (distance) C4'-P energy: -113.396 bonds (distance) P-C4' energy: -143.313 flat angles C4'-P-C4' energy: -160.173 flat angles P-C4'-P energy: -97.034 tors. eta vs tors. theta energy: -188.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2474.041548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.041548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.041548 (E_RNA) where: Base-Base interactions energy: -1757.100 where: short stacking energy: -719.906 Base-Backbone interact. energy: -3.760 local terms energy: -713.182098 where: bonds (distance) C4'-P energy: -138.716 bonds (distance) P-C4' energy: -151.611 flat angles C4'-P-C4' energy: -146.148 flat angles P-C4'-P energy: -96.828 tors. eta vs tors. theta energy: -179.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2254.598636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.598636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.598636 (E_RNA) where: Base-Base interactions energy: -1601.749 where: short stacking energy: -674.707 Base-Backbone interact. energy: 13.201 local terms energy: -666.051076 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -121.824 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -95.922 tors. eta vs tors. theta energy: -171.885 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: 8, replica: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2065.551995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.551995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.551995 (E_RNA) where: Base-Base interactions energy: -1442.165 where: short stacking energy: -601.453 Base-Backbone interact. energy: -0.115 local terms energy: -623.272174 where: bonds (distance) C4'-P energy: -139.323 bonds (distance) P-C4' energy: -135.428 flat angles C4'-P-C4' energy: -142.495 flat angles P-C4'-P energy: -77.796 tors. eta vs tors. theta energy: -128.231 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: 5 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1739.777181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.777181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.777181 (E_RNA) where: Base-Base interactions energy: -1177.651 where: short stacking energy: -519.804 Base-Backbone interact. energy: 8.710 local terms energy: -570.836989 where: bonds (distance) C4'-P energy: -121.499 bonds (distance) P-C4' energy: -124.977 flat angles C4'-P-C4' energy: -128.312 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -99.082 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1386.324496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.324496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.324496 (E_RNA) where: Base-Base interactions energy: -882.349 where: short stacking energy: -405.361 Base-Backbone interact. energy: -2.742 local terms energy: -501.233374 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -124.717 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -56.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3008.439917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.439917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.439917 (E_RNA) where: Base-Base interactions energy: -2140.268 where: short stacking energy: -900.580 Base-Backbone interact. energy: -5.115 local terms energy: -863.057056 where: bonds (distance) C4'-P energy: -170.383 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -189.417 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -242.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2969.537405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.537405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.537405 (E_RNA) where: Base-Base interactions energy: -2129.022 where: short stacking energy: -881.424 Base-Backbone interact. energy: -2.101 local terms energy: -838.414952 where: bonds (distance) C4'-P energy: -145.821 bonds (distance) P-C4' energy: -155.784 flat angles C4'-P-C4' energy: -180.338 flat angles P-C4'-P energy: -119.834 tors. eta vs tors. theta energy: -236.637 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: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2886.173600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.173600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.173600 (E_RNA) where: Base-Base interactions energy: -2084.773 where: short stacking energy: -871.659 Base-Backbone interact. energy: -1.059 local terms energy: -800.340992 where: bonds (distance) C4'-P energy: -148.585 bonds (distance) P-C4' energy: -162.729 flat angles C4'-P-C4' energy: -167.756 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -227.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2749.129493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.129493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.129493 (E_RNA) where: Base-Base interactions energy: -1953.301 where: short stacking energy: -848.977 Base-Backbone interact. energy: -5.122 local terms energy: -790.706454 where: bonds (distance) C4'-P energy: -145.605 bonds (distance) P-C4' energy: -158.179 flat angles C4'-P-C4' energy: -170.197 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -213.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2581.223798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.223798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.223798 (E_RNA) where: Base-Base interactions energy: -1814.296 where: short stacking energy: -744.074 Base-Backbone interact. energy: -1.738 local terms energy: -765.189247 where: bonds (distance) C4'-P energy: -153.332 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -106.499 tors. eta vs tors. theta energy: -189.772 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: 333 Temperature: 1.150000 Total energy: -2477.542969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.542969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.542969 (E_RNA) where: Base-Base interactions energy: -1734.828 where: short stacking energy: -698.412 Base-Backbone interact. energy: -1.165 local terms energy: -741.550601 where: bonds (distance) C4'-P energy: -145.058 bonds (distance) P-C4' energy: -150.089 flat angles C4'-P-C4' energy: -166.432 flat angles P-C4'-P energy: -109.049 tors. eta vs tors. theta energy: -170.922 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: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2269.943156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.943156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.943156 (E_RNA) where: Base-Base interactions energy: -1581.696 where: short stacking energy: -653.276 Base-Backbone interact. energy: -2.116 local terms energy: -686.131263 where: bonds (distance) C4'-P energy: -137.523 bonds (distance) P-C4' energy: -132.984 flat angles C4'-P-C4' energy: -158.785 flat angles P-C4'-P energy: -84.945 tors. eta vs tors. theta energy: -171.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2093.893235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.893235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.893235 (E_RNA) where: Base-Base interactions energy: -1464.401 where: short stacking energy: -632.339 Base-Backbone interact. energy: -1.574 local terms energy: -627.918421 where: bonds (distance) C4'-P energy: -112.452 bonds (distance) P-C4' energy: -132.709 flat angles C4'-P-C4' energy: -144.866 flat angles P-C4'-P energy: -88.242 tors. eta vs tors. theta energy: -149.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1716.789592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.789592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.789592 (E_RNA) where: Base-Base interactions energy: -1151.673 where: short stacking energy: -514.494 Base-Backbone interact. energy: 3.023 local terms energy: -568.139230 where: bonds (distance) C4'-P energy: -115.471 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -89.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1336.824226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.824226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.824226 (E_RNA) where: Base-Base interactions energy: -842.404 where: short stacking energy: -394.777 Base-Backbone interact. energy: 0.728 local terms energy: -495.148294 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -146.329 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: -53.216 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: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3040.655353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.655353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.655353 (E_RNA) where: Base-Base interactions energy: -2156.220 where: short stacking energy: -911.417 Base-Backbone interact. energy: -3.353 local terms energy: -881.083067 where: bonds (distance) C4'-P energy: -156.942 bonds (distance) P-C4' energy: -165.559 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -123.488 tors. eta vs tors. theta energy: -243.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2962.189185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.189185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.189185 (E_RNA) where: Base-Base interactions energy: -2104.054 where: short stacking energy: -838.876 Base-Backbone interact. energy: 0.415 local terms energy: -858.549969 where: bonds (distance) C4'-P energy: -176.131 bonds (distance) P-C4' energy: -145.031 flat angles C4'-P-C4' energy: -181.197 flat angles P-C4'-P energy: -132.767 tors. eta vs tors. theta energy: -223.423 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2915.713348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.713348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.713348 (E_RNA) where: Base-Base interactions energy: -2101.813 where: short stacking energy: -856.776 Base-Backbone interact. energy: -4.956 local terms energy: -808.944599 where: bonds (distance) C4'-P energy: -148.534 bonds (distance) P-C4' energy: -132.600 flat angles C4'-P-C4' energy: -180.656 flat angles P-C4'-P energy: -107.362 tors. eta vs tors. theta energy: -239.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2766.034329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.034329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.034329 (E_RNA) where: Base-Base interactions energy: -1989.015 where: short stacking energy: -819.370 Base-Backbone interact. energy: -4.964 local terms energy: -772.055910 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -149.432 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -102.584 tors. eta vs tors. theta energy: -225.293 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: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2574.662590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.662590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.662590 (E_RNA) where: Base-Base interactions energy: -1842.312 where: short stacking energy: -741.785 Base-Backbone interact. energy: 1.219 local terms energy: -733.569728 where: bonds (distance) C4'-P energy: -141.316 bonds (distance) P-C4' energy: -136.835 flat angles C4'-P-C4' energy: -160.827 flat angles P-C4'-P energy: -102.875 tors. eta vs tors. theta energy: -191.717 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: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2429.007220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.007220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.007220 (E_RNA) where: Base-Base interactions energy: -1710.576 where: short stacking energy: -707.820 Base-Backbone interact. energy: -3.474 local terms energy: -714.957005 where: bonds (distance) C4'-P energy: -129.057 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -157.684 flat angles P-C4'-P energy: -112.205 tors. eta vs tors. theta energy: -163.280 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: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2228.136344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.136344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.136344 (E_RNA) where: Base-Base interactions energy: -1533.925 where: short stacking energy: -677.938 Base-Backbone interact. energy: 3.254 local terms energy: -697.465096 where: bonds (distance) C4'-P energy: -135.653 bonds (distance) P-C4' energy: -146.659 flat angles C4'-P-C4' energy: -145.538 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -179.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2145.404427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.404427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.404427 (E_RNA) where: Base-Base interactions energy: -1494.815 where: short stacking energy: -627.472 Base-Backbone interact. energy: 0.982 local terms energy: -651.570950 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -151.509 flat angles C4'-P-C4' energy: -141.759 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -139.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1687.985416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.985416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.985416 (E_RNA) where: Base-Base interactions energy: -1158.329 where: short stacking energy: -494.113 Base-Backbone interact. energy: -4.882 local terms energy: -524.774751 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -129.593 flat angles C4'-P-C4' energy: -121.488 flat angles P-C4'-P energy: -75.636 tors. eta vs tors. theta energy: -81.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1345.393917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.393917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.393917 (E_RNA) where: Base-Base interactions energy: -874.957 where: short stacking energy: -406.846 Base-Backbone interact. energy: 2.879 local terms energy: -473.316039 where: bonds (distance) C4'-P energy: -95.622 bonds (distance) P-C4' energy: -139.468 flat angles C4'-P-C4' energy: -107.008 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -64.818 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: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3001.714275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.714275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.714275 (E_RNA) where: Base-Base interactions energy: -2131.183 where: short stacking energy: -896.473 Base-Backbone interact. energy: -1.138 local terms energy: -869.393025 where: bonds (distance) C4'-P energy: -159.267 bonds (distance) P-C4' energy: -158.600 flat angles C4'-P-C4' energy: -182.276 flat angles P-C4'-P energy: -122.741 tors. eta vs tors. theta energy: -246.509 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: 335 Temperature: 0.950000 Total energy: -2953.989538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.989538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.989538 (E_RNA) where: Base-Base interactions energy: -2120.012 where: short stacking energy: -892.725 Base-Backbone interact. energy: -6.638 local terms energy: -827.339116 where: bonds (distance) C4'-P energy: -164.861 bonds (distance) P-C4' energy: -144.123 flat angles C4'-P-C4' energy: -171.195 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -232.498 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: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2911.507272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.507272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.507272 (E_RNA) where: Base-Base interactions energy: -2086.995 where: short stacking energy: -875.351 Base-Backbone interact. energy: -0.062 local terms energy: -824.449926 where: bonds (distance) C4'-P energy: -134.867 bonds (distance) P-C4' energy: -140.638 flat angles C4'-P-C4' energy: -189.632 flat angles P-C4'-P energy: -123.827 tors. eta vs tors. theta energy: -235.486 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: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2760.368427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.368427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.368427 (E_RNA) where: Base-Base interactions energy: -1977.551 where: short stacking energy: -811.987 Base-Backbone interact. energy: -2.397 local terms energy: -780.420547 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -155.557 flat angles C4'-P-C4' energy: -164.005 flat angles P-C4'-P energy: -114.133 tors. eta vs tors. theta energy: -210.218 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: 335 Temperature: 1.100000 Total energy: -2603.801171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.801171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.801171 (E_RNA) where: Base-Base interactions energy: -1866.927 where: short stacking energy: -785.623 Base-Backbone interact. energy: -1.995 local terms energy: -734.879604 where: bonds (distance) C4'-P energy: -123.348 bonds (distance) P-C4' energy: -133.754 flat angles C4'-P-C4' energy: -168.936 flat angles P-C4'-P energy: -107.313 tors. eta vs tors. theta energy: -201.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2398.563787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.563787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.563787 (E_RNA) where: Base-Base interactions energy: -1690.467 where: short stacking energy: -673.817 Base-Backbone interact. energy: 2.553 local terms energy: -710.650148 where: bonds (distance) C4'-P energy: -137.207 bonds (distance) P-C4' energy: -142.383 flat angles C4'-P-C4' energy: -154.568 flat angles P-C4'-P energy: -107.104 tors. eta vs tors. theta energy: -169.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2235.637673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.637673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.637673 (E_RNA) where: Base-Base interactions energy: -1545.097 where: short stacking energy: -666.459 Base-Backbone interact. energy: -0.287 local terms energy: -690.254338 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -125.196 flat angles C4'-P-C4' energy: -158.918 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -171.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2109.061282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.061282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.061282 (E_RNA) where: Base-Base interactions energy: -1461.298 where: short stacking energy: -628.098 Base-Backbone interact. energy: 0.337 local terms energy: -648.100598 where: bonds (distance) C4'-P energy: -133.053 bonds (distance) P-C4' energy: -125.227 flat angles C4'-P-C4' energy: -156.476 flat angles P-C4'-P energy: -85.268 tors. eta vs tors. theta energy: -148.077 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: 335 Temperature: 1.300000 Total energy: -1830.549242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.549242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.549242 (E_RNA) where: Base-Base interactions energy: -1268.042 where: short stacking energy: -552.211 Base-Backbone interact. energy: -2.210 local terms energy: -560.298019 where: bonds (distance) C4'-P energy: -101.679 bonds (distance) P-C4' energy: -140.296 flat angles C4'-P-C4' energy: -133.366 flat angles P-C4'-P energy: -77.540 tors. eta vs tors. theta energy: -107.417 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: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1405.121859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.121859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.121859 (E_RNA) where: Base-Base interactions energy: -927.988 where: short stacking energy: -453.139 Base-Backbone interact. energy: 0.114 local terms energy: -477.247545 where: bonds (distance) C4'-P energy: -95.644 bonds (distance) P-C4' energy: -134.272 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -73.248 tors. eta vs tors. theta energy: -61.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3012.229208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.229208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.229208 (E_RNA) where: Base-Base interactions energy: -2133.992 where: short stacking energy: -917.571 Base-Backbone interact. energy: -5.131 local terms energy: -873.105717 where: bonds (distance) C4'-P energy: -168.554 bonds (distance) P-C4' energy: -159.846 flat angles C4'-P-C4' energy: -171.743 flat angles P-C4'-P energy: -126.039 tors. eta vs tors. theta energy: -246.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2960.890258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.890258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.890258 (E_RNA) where: Base-Base interactions energy: -2127.957 where: short stacking energy: -882.103 Base-Backbone interact. energy: -4.877 local terms energy: -828.056572 where: bonds (distance) C4'-P energy: -156.460 bonds (distance) P-C4' energy: -136.838 flat angles C4'-P-C4' energy: -165.090 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -247.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2890.951130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.951130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.951130 (E_RNA) where: Base-Base interactions energy: -2067.465 where: short stacking energy: -859.788 Base-Backbone interact. energy: 5.571 local terms energy: -829.057085 where: bonds (distance) C4'-P energy: -146.309 bonds (distance) P-C4' energy: -156.098 flat angles C4'-P-C4' energy: -174.618 flat angles P-C4'-P energy: -112.273 tors. eta vs tors. theta energy: -239.760 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: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2765.723110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.723110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.723110 (E_RNA) where: Base-Base interactions energy: -1979.428 where: short stacking energy: -820.823 Base-Backbone interact. energy: -3.369 local terms energy: -782.926056 where: bonds (distance) C4'-P energy: -144.121 bonds (distance) P-C4' energy: -142.765 flat angles C4'-P-C4' energy: -168.288 flat angles P-C4'-P energy: -109.785 tors. eta vs tors. theta energy: -217.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2601.985138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.985138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.985138 (E_RNA) where: Base-Base interactions energy: -1854.025 where: short stacking energy: -785.198 Base-Backbone interact. energy: -6.894 local terms energy: -741.066079 where: bonds (distance) C4'-P energy: -133.321 bonds (distance) P-C4' energy: -141.338 flat angles C4'-P-C4' energy: -159.970 flat angles P-C4'-P energy: -103.345 tors. eta vs tors. theta energy: -203.092 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: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2433.759863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.759863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.759863 (E_RNA) where: Base-Base interactions energy: -1761.922 where: short stacking energy: -756.378 Base-Backbone interact. energy: -2.098 local terms energy: -669.740004 where: bonds (distance) C4'-P energy: -112.692 bonds (distance) P-C4' energy: -124.671 flat angles C4'-P-C4' energy: -150.943 flat angles P-C4'-P energy: -108.131 tors. eta vs tors. theta energy: -173.304 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: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2235.759298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.759298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.759298 (E_RNA) where: Base-Base interactions energy: -1574.855 where: short stacking energy: -658.067 Base-Backbone interact. energy: -2.476 local terms energy: -658.428416 where: bonds (distance) C4'-P energy: -128.970 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -136.842 flat angles P-C4'-P energy: -108.564 tors. eta vs tors. theta energy: -142.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2112.352972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.352972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.352972 (E_RNA) where: Base-Base interactions energy: -1458.152 where: short stacking energy: -602.516 Base-Backbone interact. energy: 1.622 local terms energy: -655.823235 where: bonds (distance) C4'-P energy: -111.935 bonds (distance) P-C4' energy: -153.208 flat angles C4'-P-C4' energy: -138.190 flat angles P-C4'-P energy: -98.144 tors. eta vs tors. theta energy: -154.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1807.841838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.841838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.841838 (E_RNA) where: Base-Base interactions energy: -1227.592 where: short stacking energy: -521.424 Base-Backbone interact. energy: -2.985 local terms energy: -577.265258 where: bonds (distance) C4'-P energy: -127.384 bonds (distance) P-C4' energy: -143.018 flat angles C4'-P-C4' energy: -141.886 flat angles P-C4'-P energy: -79.435 tors. eta vs tors. theta energy: -85.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1370.566001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.566001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.566001 (E_RNA) where: Base-Base interactions energy: -884.051 where: short stacking energy: -414.431 Base-Backbone interact. energy: -2.112 local terms energy: -484.402843 where: bonds (distance) C4'-P energy: -104.030 bonds (distance) P-C4' energy: -123.550 flat angles C4'-P-C4' energy: -105.890 flat angles P-C4'-P energy: -82.792 tors. eta vs tors. theta energy: -68.140 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: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3027.182569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.182569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.182569 (E_RNA) where: Base-Base interactions energy: -2156.469 where: short stacking energy: -927.556 Base-Backbone interact. energy: -1.910 local terms energy: -868.802845 where: bonds (distance) C4'-P energy: -155.188 bonds (distance) P-C4' energy: -150.549 flat angles C4'-P-C4' energy: -188.844 flat angles P-C4'-P energy: -125.628 tors. eta vs tors. theta energy: -248.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2979.118607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.118607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.118607 (E_RNA) where: Base-Base interactions energy: -2151.415 where: short stacking energy: -875.757 Base-Backbone interact. energy: -2.519 local terms energy: -825.184695 where: bonds (distance) C4'-P energy: -152.378 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -177.833 flat angles P-C4'-P energy: -114.309 tors. eta vs tors. theta energy: -241.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2932.161241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.161241 (E_RNA) where: Base-Base interactions energy: -2074.705 where: short stacking energy: -871.589 Base-Backbone interact. energy: 1.507 local terms energy: -858.963037 where: bonds (distance) C4'-P energy: -162.663 bonds (distance) P-C4' energy: -155.632 flat angles C4'-P-C4' energy: -183.717 flat angles P-C4'-P energy: -114.072 tors. eta vs tors. theta energy: -242.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2781.845206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.845206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.845206 (E_RNA) where: Base-Base interactions energy: -2006.055 where: short stacking energy: -834.913 Base-Backbone interact. energy: -5.271 local terms energy: -770.519444 where: bonds (distance) C4'-P energy: -152.012 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -164.310 flat angles P-C4'-P energy: -97.456 tors. eta vs tors. theta energy: -212.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2563.557710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.557710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.557710 (E_RNA) where: Base-Base interactions energy: -1807.494 where: short stacking energy: -737.974 Base-Backbone interact. energy: -6.345 local terms energy: -749.717938 where: bonds (distance) C4'-P energy: -132.623 bonds (distance) P-C4' energy: -154.868 flat angles C4'-P-C4' energy: -165.043 flat angles P-C4'-P energy: -111.536 tors. eta vs tors. theta energy: -185.648 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: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2457.563830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.563830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.563830 (E_RNA) where: Base-Base interactions energy: -1745.806 where: short stacking energy: -715.528 Base-Backbone interact. energy: -4.670 local terms energy: -707.087562 where: bonds (distance) C4'-P energy: -123.037 bonds (distance) P-C4' energy: -151.195 flat angles C4'-P-C4' energy: -164.739 flat angles P-C4'-P energy: -88.137 tors. eta vs tors. theta energy: -179.979 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: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2282.393771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.393771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.393771 (E_RNA) where: Base-Base interactions energy: -1576.264 where: short stacking energy: -684.179 Base-Backbone interact. energy: -1.828 local terms energy: -704.301767 where: bonds (distance) C4'-P energy: -119.617 bonds (distance) P-C4' energy: -147.611 flat angles C4'-P-C4' energy: -150.268 flat angles P-C4'-P energy: -103.569 tors. eta vs tors. theta energy: -183.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2137.714468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.714468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.714468 (E_RNA) where: Base-Base interactions energy: -1470.592 where: short stacking energy: -634.659 Base-Backbone interact. energy: -2.857 local terms energy: -664.266243 where: bonds (distance) C4'-P energy: -117.690 bonds (distance) P-C4' energy: -137.196 flat angles C4'-P-C4' energy: -155.130 flat angles P-C4'-P energy: -93.724 tors. eta vs tors. theta energy: -160.525 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: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1869.439772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.439772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.439772 (E_RNA) where: Base-Base interactions energy: -1292.491 where: short stacking energy: -556.935 Base-Backbone interact. energy: 4.398 local terms energy: -581.346244 where: bonds (distance) C4'-P energy: -123.186 bonds (distance) P-C4' energy: -131.683 flat angles C4'-P-C4' energy: -136.495 flat angles P-C4'-P energy: -79.324 tors. eta vs tors. theta energy: -110.659 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: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1415.012374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.012374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.012374 (E_RNA) where: Base-Base interactions energy: -933.708 where: short stacking energy: -414.324 Base-Backbone interact. energy: -3.311 local terms energy: -477.993076 where: bonds (distance) C4'-P energy: -106.972 bonds (distance) P-C4' energy: -139.065 flat angles C4'-P-C4' energy: -114.843 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: -59.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3018.938375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.938375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.938375 (E_RNA) where: Base-Base interactions energy: -2163.278 where: short stacking energy: -908.846 Base-Backbone interact. energy: -1.004 local terms energy: -854.655855 where: bonds (distance) C4'-P energy: -152.725 bonds (distance) P-C4' energy: -161.455 flat angles C4'-P-C4' energy: -183.888 flat angles P-C4'-P energy: -117.781 tors. eta vs tors. theta energy: -238.808 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: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2961.337794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.337794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.337794 (E_RNA) where: Base-Base interactions energy: -2122.941 where: short stacking energy: -851.401 Base-Backbone interact. energy: -6.251 local terms energy: -832.145992 where: bonds (distance) C4'-P energy: -153.040 bonds (distance) P-C4' energy: -155.582 flat angles C4'-P-C4' energy: -173.566 flat angles P-C4'-P energy: -114.619 tors. eta vs tors. theta energy: -235.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2902.222214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.222214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.222214 (E_RNA) where: Base-Base interactions energy: -2057.381 where: short stacking energy: -894.050 Base-Backbone interact. energy: -1.402 local terms energy: -843.439098 where: bonds (distance) C4'-P energy: -155.170 bonds (distance) P-C4' energy: -143.811 flat angles C4'-P-C4' energy: -183.365 flat angles P-C4'-P energy: -120.355 tors. eta vs tors. theta energy: -240.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2783.905296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.905296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.905296 (E_RNA) where: Base-Base interactions energy: -1982.926 where: short stacking energy: -840.789 Base-Backbone interact. energy: -6.426 local terms energy: -794.553228 where: bonds (distance) C4'-P energy: -137.531 bonds (distance) P-C4' energy: -153.898 flat angles C4'-P-C4' energy: -167.849 flat angles P-C4'-P energy: -122.340 tors. eta vs tors. theta energy: -212.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2546.269909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.269909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.269909 (E_RNA) where: Base-Base interactions energy: -1808.278 where: short stacking energy: -731.767 Base-Backbone interact. energy: -2.526 local terms energy: -735.465963 where: bonds (distance) C4'-P energy: -135.908 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -158.856 flat angles P-C4'-P energy: -93.956 tors. eta vs tors. theta energy: -188.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2455.184114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.184114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.184114 (E_RNA) where: Base-Base interactions energy: -1736.737 where: short stacking energy: -737.054 Base-Backbone interact. energy: -1.566 local terms energy: -716.881066 where: bonds (distance) C4'-P energy: -137.285 bonds (distance) P-C4' energy: -135.729 flat angles C4'-P-C4' energy: -163.003 flat angles P-C4'-P energy: -86.669 tors. eta vs tors. theta energy: -194.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2290.742518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.742518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.742518 (E_RNA) where: Base-Base interactions energy: -1598.344 where: short stacking energy: -672.630 Base-Backbone interact. energy: -0.587 local terms energy: -691.810826 where: bonds (distance) C4'-P energy: -130.331 bonds (distance) P-C4' energy: -155.876 flat angles C4'-P-C4' energy: -163.420 flat angles P-C4'-P energy: -80.530 tors. eta vs tors. theta energy: -161.654 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: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2131.723133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.723133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.723133 (E_RNA) where: Base-Base interactions energy: -1459.142 where: short stacking energy: -628.626 Base-Backbone interact. energy: -0.650 local terms energy: -671.931287 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -148.169 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -103.364 tors. eta vs tors. theta energy: -139.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1808.606272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.606272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.606272 (E_RNA) where: Base-Base interactions energy: -1246.620 where: short stacking energy: -535.672 Base-Backbone interact. energy: -4.390 local terms energy: -557.596302 where: bonds (distance) C4'-P energy: -118.726 bonds (distance) P-C4' energy: -124.399 flat angles C4'-P-C4' energy: -118.760 flat angles P-C4'-P energy: -82.125 tors. eta vs tors. theta energy: -113.586 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: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1411.942497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.942497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.942497 (E_RNA) where: Base-Base interactions energy: -885.542 where: short stacking energy: -443.467 Base-Backbone interact. energy: 3.193 local terms energy: -529.593738 where: bonds (distance) C4'-P energy: -115.189 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -125.742 flat angles P-C4'-P energy: -75.935 tors. eta vs tors. theta energy: -68.860 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: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3005.521287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.521287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.521287 (E_RNA) where: Base-Base interactions energy: -2149.534 where: short stacking energy: -911.573 Base-Backbone interact. energy: -2.500 local terms energy: -853.486723 where: bonds (distance) C4'-P energy: -154.185 bonds (distance) P-C4' energy: -163.719 flat angles C4'-P-C4' energy: -167.184 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -250.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2938.997709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.997709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.997709 (E_RNA) where: Base-Base interactions energy: -2139.491 where: short stacking energy: -882.162 Base-Backbone interact. energy: -7.484 local terms energy: -792.023134 where: bonds (distance) C4'-P energy: -140.873 bonds (distance) P-C4' energy: -130.566 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -106.679 tors. eta vs tors. theta energy: -241.321 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: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2917.538108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.538108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.538108 (E_RNA) where: Base-Base interactions energy: -2078.785 where: short stacking energy: -879.302 Base-Backbone interact. energy: -0.594 local terms energy: -838.158377 where: bonds (distance) C4'-P energy: -147.233 bonds (distance) P-C4' energy: -151.303 flat angles C4'-P-C4' energy: -178.780 flat angles P-C4'-P energy: -122.047 tors. eta vs tors. theta energy: -238.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2793.107149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.107149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.107149 (E_RNA) where: Base-Base interactions energy: -1989.387 where: short stacking energy: -798.241 Base-Backbone interact. energy: -1.223 local terms energy: -802.497292 where: bonds (distance) C4'-P energy: -153.916 bonds (distance) P-C4' energy: -139.797 flat angles C4'-P-C4' energy: -190.964 flat angles P-C4'-P energy: -97.275 tors. eta vs tors. theta energy: -220.544 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: 339 Temperature: 1.100000 Total energy: -2603.079016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.079016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.079016 (E_RNA) where: Base-Base interactions energy: -1873.149 where: short stacking energy: -763.047 Base-Backbone interact. energy: -1.896 local terms energy: -728.034045 where: bonds (distance) C4'-P energy: -106.750 bonds (distance) P-C4' energy: -159.509 flat angles C4'-P-C4' energy: -166.014 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -194.015 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: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2507.071865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.071865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.071865 (E_RNA) where: Base-Base interactions energy: -1781.460 where: short stacking energy: -741.106 Base-Backbone interact. energy: -2.683 local terms energy: -722.928310 where: bonds (distance) C4'-P energy: -136.565 bonds (distance) P-C4' energy: -125.233 flat angles C4'-P-C4' energy: -154.443 flat angles P-C4'-P energy: -112.328 tors. eta vs tors. theta energy: -194.360 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: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2270.612183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.612183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.612183 (E_RNA) where: Base-Base interactions energy: -1594.128 where: short stacking energy: -685.108 Base-Backbone interact. energy: -2.282 local terms energy: -674.201385 where: bonds (distance) C4'-P energy: -136.246 bonds (distance) P-C4' energy: -144.779 flat angles C4'-P-C4' energy: -153.400 flat angles P-C4'-P energy: -68.629 tors. eta vs tors. theta energy: -171.148 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: 3 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2151.559915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.559915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.559915 (E_RNA) where: Base-Base interactions energy: -1489.187 where: short stacking energy: -649.804 Base-Backbone interact. energy: -3.300 local terms energy: -659.073372 where: bonds (distance) C4'-P energy: -140.230 bonds (distance) P-C4' energy: -118.446 flat angles C4'-P-C4' energy: -147.519 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -153.251 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: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1814.609457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.609457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.609457 (E_RNA) where: Base-Base interactions energy: -1220.174 where: short stacking energy: -512.308 Base-Backbone interact. energy: 0.445 local terms energy: -594.880336 where: bonds (distance) C4'-P energy: -99.035 bonds (distance) P-C4' energy: -157.081 flat angles C4'-P-C4' energy: -146.985 flat angles P-C4'-P energy: -100.958 tors. eta vs tors. theta energy: -90.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1430.417560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.417560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.417560 (E_RNA) where: Base-Base interactions energy: -950.291 where: short stacking energy: -455.223 Base-Backbone interact. energy: 0.647 local terms energy: -480.774516 where: bonds (distance) C4'-P energy: -119.585 bonds (distance) P-C4' energy: -89.981 flat angles C4'-P-C4' energy: -122.411 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -86.742 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: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3016.491845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.491845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.491845 (E_RNA) where: Base-Base interactions energy: -2142.261 where: short stacking energy: -909.248 Base-Backbone interact. energy: -1.563 local terms energy: -872.667318 where: bonds (distance) C4'-P energy: -164.387 bonds (distance) P-C4' energy: -151.729 flat angles C4'-P-C4' energy: -194.048 flat angles P-C4'-P energy: -118.679 tors. eta vs tors. theta energy: -243.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2903.307890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.307890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.307890 (E_RNA) where: Base-Base interactions energy: -2066.235 where: short stacking energy: -836.620 Base-Backbone interact. energy: -3.594 local terms energy: -833.479610 where: bonds (distance) C4'-P energy: -156.137 bonds (distance) P-C4' energy: -161.650 flat angles C4'-P-C4' energy: -175.482 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -224.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2932.096691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.096691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.096691 (E_RNA) where: Base-Base interactions energy: -2082.361 where: short stacking energy: -866.902 Base-Backbone interact. energy: -1.669 local terms energy: -848.067305 where: bonds (distance) C4'-P energy: -147.687 bonds (distance) P-C4' energy: -159.919 flat angles C4'-P-C4' energy: -181.045 flat angles P-C4'-P energy: -124.594 tors. eta vs tors. theta energy: -234.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2743.904420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.904420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.904420 (E_RNA) where: Base-Base interactions energy: -1970.144 where: short stacking energy: -812.521 Base-Backbone interact. energy: -5.563 local terms energy: -768.197815 where: bonds (distance) C4'-P energy: -143.544 bonds (distance) P-C4' energy: -156.627 flat angles C4'-P-C4' energy: -160.981 flat angles P-C4'-P energy: -105.821 tors. eta vs tors. theta energy: -201.225 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: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2636.808860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.808860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.808860 (E_RNA) where: Base-Base interactions energy: -1906.301 where: short stacking energy: -779.779 Base-Backbone interact. energy: -2.682 local terms energy: -727.825897 where: bonds (distance) C4'-P energy: -145.541 bonds (distance) P-C4' energy: -132.662 flat angles C4'-P-C4' energy: -153.382 flat angles P-C4'-P energy: -94.795 tors. eta vs tors. theta energy: -201.446 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: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2482.525045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.525045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.525045 (E_RNA) where: Base-Base interactions energy: -1769.787 where: short stacking energy: -727.201 Base-Backbone interact. energy: -1.955 local terms energy: -710.782660 where: bonds (distance) C4'-P energy: -132.232 bonds (distance) P-C4' energy: -136.357 flat angles C4'-P-C4' energy: -150.263 flat angles P-C4'-P energy: -106.656 tors. eta vs tors. theta energy: -185.274 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: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2297.540011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.540011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.540011 (E_RNA) where: Base-Base interactions energy: -1636.670 where: short stacking energy: -708.310 Base-Backbone interact. energy: -0.649 local terms energy: -660.220981 where: bonds (distance) C4'-P energy: -129.874 bonds (distance) P-C4' energy: -132.481 flat angles C4'-P-C4' energy: -138.090 flat angles P-C4'-P energy: -92.653 tors. eta vs tors. theta energy: -167.123 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2105.675525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.675525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.675525 (E_RNA) where: Base-Base interactions energy: -1470.635 where: short stacking energy: -652.790 Base-Backbone interact. energy: -4.143 local terms energy: -630.896780 where: bonds (distance) C4'-P energy: -113.725 bonds (distance) P-C4' energy: -139.065 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -89.531 tors. eta vs tors. theta energy: -143.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1777.227845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.227845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.227845 (E_RNA) where: Base-Base interactions energy: -1201.400 where: short stacking energy: -505.194 Base-Backbone interact. energy: -2.435 local terms energy: -573.392853 where: bonds (distance) C4'-P energy: -133.626 bonds (distance) P-C4' energy: -122.006 flat angles C4'-P-C4' energy: -123.286 flat angles P-C4'-P energy: -84.765 tors. eta vs tors. theta energy: -109.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1340.030814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.030814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.030814 (E_RNA) where: Base-Base interactions energy: -901.284 where: short stacking energy: -406.654 Base-Backbone interact. energy: 1.911 local terms energy: -440.657663 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -117.248 flat angles C4'-P-C4' energy: -100.689 flat angles P-C4'-P energy: -72.479 tors. eta vs tors. theta energy: -37.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3005.771253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.771253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.771253 (E_RNA) where: Base-Base interactions energy: -2153.598 where: short stacking energy: -909.237 Base-Backbone interact. energy: -3.274 local terms energy: -848.899348 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -151.600 flat angles C4'-P-C4' energy: -185.232 flat angles P-C4'-P energy: -121.505 tors. eta vs tors. theta energy: -244.420 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: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2988.158667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.158667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.158667 (E_RNA) where: Base-Base interactions energy: -2151.443 where: short stacking energy: -903.499 Base-Backbone interact. energy: -2.034 local terms energy: -834.681789 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -157.575 flat angles C4'-P-C4' energy: -173.633 flat angles P-C4'-P energy: -120.028 tors. eta vs tors. theta energy: -242.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2856.000125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.000125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.000125 (E_RNA) where: Base-Base interactions energy: -2049.896 where: short stacking energy: -849.308 Base-Backbone interact. energy: -4.184 local terms energy: -801.919685 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -153.627 flat angles C4'-P-C4' energy: -165.565 flat angles P-C4'-P energy: -98.907 tors. eta vs tors. theta energy: -234.679 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: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2746.364924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.364924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.364924 (E_RNA) where: Base-Base interactions energy: -1993.672 where: short stacking energy: -809.475 Base-Backbone interact. energy: 1.442 local terms energy: -754.134634 where: bonds (distance) C4'-P energy: -154.919 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -154.816 flat angles P-C4'-P energy: -98.543 tors. eta vs tors. theta energy: -199.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2642.725901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.725901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.725901 (E_RNA) where: Base-Base interactions energy: -1864.749 where: short stacking energy: -750.474 Base-Backbone interact. energy: -2.946 local terms energy: -775.030905 where: bonds (distance) C4'-P energy: -155.963 bonds (distance) P-C4' energy: -150.741 flat angles C4'-P-C4' energy: -164.494 flat angles P-C4'-P energy: -106.694 tors. eta vs tors. theta energy: -197.139 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: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2473.424458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.424458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.424458 (E_RNA) where: Base-Base interactions energy: -1764.352 where: short stacking energy: -751.078 Base-Backbone interact. energy: 4.887 local terms energy: -713.958584 where: bonds (distance) C4'-P energy: -116.352 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -158.479 flat angles P-C4'-P energy: -98.971 tors. eta vs tors. theta energy: -191.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2258.630406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.630406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.630406 (E_RNA) where: Base-Base interactions energy: -1591.661 where: short stacking energy: -632.232 Base-Backbone interact. energy: -2.862 local terms energy: -664.107606 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -137.876 flat angles C4'-P-C4' energy: -154.840 flat angles P-C4'-P energy: -81.637 tors. eta vs tors. theta energy: -158.161 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: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2150.397145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.397145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.397145 (E_RNA) where: Base-Base interactions energy: -1453.624 where: short stacking energy: -657.395 Base-Backbone interact. energy: -1.164 local terms energy: -695.609235 where: bonds (distance) C4'-P energy: -133.411 bonds (distance) P-C4' energy: -133.152 flat angles C4'-P-C4' energy: -161.704 flat angles P-C4'-P energy: -99.094 tors. eta vs tors. theta energy: -168.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1817.595091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.595091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.595091 (E_RNA) where: Base-Base interactions energy: -1196.403 where: short stacking energy: -525.618 Base-Backbone interact. energy: -0.379 local terms energy: -620.813045 where: bonds (distance) C4'-P energy: -135.167 bonds (distance) P-C4' energy: -162.857 flat angles C4'-P-C4' energy: -149.794 flat angles P-C4'-P energy: -84.573 tors. eta vs tors. theta energy: -88.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1298.434016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.434016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.434016 (E_RNA) where: Base-Base interactions energy: -805.936 where: short stacking energy: -364.797 Base-Backbone interact. energy: -2.464 local terms energy: -490.034485 where: bonds (distance) C4'-P energy: -117.170 bonds (distance) P-C4' energy: -127.781 flat angles C4'-P-C4' energy: -126.941 flat angles P-C4'-P energy: -61.169 tors. eta vs tors. theta energy: -56.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3059.910530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.910530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.910530 (E_RNA) where: Base-Base interactions energy: -2187.327 where: short stacking energy: -903.507 Base-Backbone interact. energy: -2.910 local terms energy: -869.673411 where: bonds (distance) C4'-P energy: -153.962 bonds (distance) P-C4' energy: -156.418 flat angles C4'-P-C4' energy: -190.682 flat angles P-C4'-P energy: -123.026 tors. eta vs tors. theta energy: -245.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2971.622148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.622148 (E_RNA) where: Base-Base interactions energy: -2127.406 where: short stacking energy: -894.200 Base-Backbone interact. energy: -5.698 local terms energy: -838.517852 where: bonds (distance) C4'-P energy: -129.232 bonds (distance) P-C4' energy: -153.610 flat angles C4'-P-C4' energy: -173.769 flat angles P-C4'-P energy: -128.861 tors. eta vs tors. theta energy: -253.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2888.662657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.662657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.662657 (E_RNA) where: Base-Base interactions energy: -2064.044 where: short stacking energy: -843.491 Base-Backbone interact. energy: -4.817 local terms energy: -819.802143 where: bonds (distance) C4'-P energy: -142.179 bonds (distance) P-C4' energy: -164.094 flat angles C4'-P-C4' energy: -181.017 flat angles P-C4'-P energy: -98.858 tors. eta vs tors. theta energy: -233.654 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: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2756.914397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.914397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.914397 (E_RNA) where: Base-Base interactions energy: -1930.934 where: short stacking energy: -797.761 Base-Backbone interact. energy: -2.531 local terms energy: -823.449031 where: bonds (distance) C4'-P energy: -160.281 bonds (distance) P-C4' energy: -154.519 flat angles C4'-P-C4' energy: -171.743 flat angles P-C4'-P energy: -127.152 tors. eta vs tors. theta energy: -209.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2623.042158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.042158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.042158 (E_RNA) where: Base-Base interactions energy: -1871.999 where: short stacking energy: -781.228 Base-Backbone interact. energy: 2.114 local terms energy: -753.157591 where: bonds (distance) C4'-P energy: -143.773 bonds (distance) P-C4' energy: -136.864 flat angles C4'-P-C4' energy: -179.409 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -183.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2463.248810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.248810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.248810 (E_RNA) where: Base-Base interactions energy: -1770.160 where: short stacking energy: -716.493 Base-Backbone interact. energy: -3.175 local terms energy: -689.913844 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -136.367 flat angles C4'-P-C4' energy: -150.172 flat angles P-C4'-P energy: -104.624 tors. eta vs tors. theta energy: -177.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2276.364519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.364519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.364519 (E_RNA) where: Base-Base interactions energy: -1574.862 where: short stacking energy: -656.451 Base-Backbone interact. energy: -0.971 local terms energy: -700.530705 where: bonds (distance) C4'-P energy: -128.848 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -155.270 flat angles P-C4'-P energy: -113.095 tors. eta vs tors. theta energy: -170.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2106.818718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.818718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.818718 (E_RNA) where: Base-Base interactions energy: -1438.233 where: short stacking energy: -638.950 Base-Backbone interact. energy: -0.488 local terms energy: -668.098212 where: bonds (distance) C4'-P energy: -130.222 bonds (distance) P-C4' energy: -132.280 flat angles C4'-P-C4' energy: -153.778 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -157.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1812.052882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.052882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.052882 (E_RNA) where: Base-Base interactions energy: -1256.754 where: short stacking energy: -508.643 Base-Backbone interact. energy: -0.389 local terms energy: -554.909623 where: bonds (distance) C4'-P energy: -126.100 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -138.928 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -87.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1336.193683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.193683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.193683 (E_RNA) where: Base-Base interactions energy: -861.961 where: short stacking energy: -421.269 Base-Backbone interact. energy: 0.289 local terms energy: -474.521598 where: bonds (distance) C4'-P energy: -120.179 bonds (distance) P-C4' energy: -131.300 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -51.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3057.299756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.299756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.299756 (E_RNA) where: Base-Base interactions energy: -2209.368 where: short stacking energy: -909.003 Base-Backbone interact. energy: 0.838 local terms energy: -848.769670 where: bonds (distance) C4'-P energy: -160.495 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -170.678 flat angles P-C4'-P energy: -135.331 tors. eta vs tors. theta energy: -237.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2977.482077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.482077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.482077 (E_RNA) where: Base-Base interactions energy: -2121.513 where: short stacking energy: -881.656 Base-Backbone interact. energy: -6.561 local terms energy: -849.407286 where: bonds (distance) C4'-P energy: -150.612 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -180.481 flat angles P-C4'-P energy: -115.504 tors. eta vs tors. theta energy: -242.318 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: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2873.054451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.054451 (E_RNA) where: Base-Base interactions energy: -2082.188 where: short stacking energy: -842.820 Base-Backbone interact. energy: 0.955 local terms energy: -791.821659 where: bonds (distance) C4'-P energy: -143.113 bonds (distance) P-C4' energy: -139.530 flat angles C4'-P-C4' energy: -176.011 flat angles P-C4'-P energy: -114.883 tors. eta vs tors. theta energy: -218.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2762.300570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.300570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.300570 (E_RNA) where: Base-Base interactions energy: -1981.258 where: short stacking energy: -805.003 Base-Backbone interact. energy: -3.801 local terms energy: -777.241437 where: bonds (distance) C4'-P energy: -135.906 bonds (distance) P-C4' energy: -145.767 flat angles C4'-P-C4' energy: -170.441 flat angles P-C4'-P energy: -118.463 tors. eta vs tors. theta energy: -206.665 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: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2644.099685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.099685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.099685 (E_RNA) where: Base-Base interactions energy: -1902.218 where: short stacking energy: -754.681 Base-Backbone interact. energy: -3.509 local terms energy: -738.372608 where: bonds (distance) C4'-P energy: -140.923 bonds (distance) P-C4' energy: -130.613 flat angles C4'-P-C4' energy: -164.928 flat angles P-C4'-P energy: -107.561 tors. eta vs tors. theta energy: -194.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2486.585358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.585358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.585358 (E_RNA) where: Base-Base interactions energy: -1776.360 where: short stacking energy: -722.940 Base-Backbone interact. energy: -4.381 local terms energy: -705.844291 where: bonds (distance) C4'-P energy: -121.531 bonds (distance) P-C4' energy: -141.309 flat angles C4'-P-C4' energy: -163.418 flat angles P-C4'-P energy: -110.592 tors. eta vs tors. theta energy: -168.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2324.744642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.744642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.744642 (E_RNA) where: Base-Base interactions energy: -1618.765 where: short stacking energy: -696.081 Base-Backbone interact. energy: -2.213 local terms energy: -703.765832 where: bonds (distance) C4'-P energy: -131.216 bonds (distance) P-C4' energy: -136.169 flat angles C4'-P-C4' energy: -169.695 flat angles P-C4'-P energy: -83.370 tors. eta vs tors. theta energy: -183.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -2095.945670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.945670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.945670 (E_RNA) where: Base-Base interactions energy: -1424.622 where: short stacking energy: -615.492 Base-Backbone interact. energy: 0.342 local terms energy: -671.665736 where: bonds (distance) C4'-P energy: -117.407 bonds (distance) P-C4' energy: -143.640 flat angles C4'-P-C4' energy: -164.879 flat angles P-C4'-P energy: -90.363 tors. eta vs tors. theta energy: -155.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1834.022168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.022168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.022168 (E_RNA) where: Base-Base interactions energy: -1239.333 where: short stacking energy: -560.251 Base-Backbone interact. energy: 2.109 local terms energy: -596.798111 where: bonds (distance) C4'-P energy: -136.160 bonds (distance) P-C4' energy: -128.168 flat angles C4'-P-C4' energy: -152.169 flat angles P-C4'-P energy: -73.178 tors. eta vs tors. theta energy: -107.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1381.966574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.966574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.966574 (E_RNA) where: Base-Base interactions energy: -873.917 where: short stacking energy: -398.941 Base-Backbone interact. energy: 1.595 local terms energy: -509.643841 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -134.098 flat angles C4'-P-C4' energy: -123.074 flat angles P-C4'-P energy: -78.111 tors. eta vs tors. theta energy: -49.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3047.287881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.287881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.287881 (E_RNA) where: Base-Base interactions energy: -2179.248 where: short stacking energy: -925.680 Base-Backbone interact. energy: -4.345 local terms energy: -863.694755 where: bonds (distance) C4'-P energy: -150.389 bonds (distance) P-C4' energy: -159.358 flat angles C4'-P-C4' energy: -178.078 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -254.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2999.794238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.794238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.794238 (E_RNA) where: Base-Base interactions energy: -2123.472 where: short stacking energy: -887.534 Base-Backbone interact. energy: -2.995 local terms energy: -873.327431 where: bonds (distance) C4'-P energy: -148.104 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -185.259 flat angles P-C4'-P energy: -134.656 tors. eta vs tors. theta energy: -239.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2870.670543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.670543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.670543 (E_RNA) where: Base-Base interactions energy: -2090.139 where: short stacking energy: -842.911 Base-Backbone interact. energy: -5.469 local terms energy: -775.062762 where: bonds (distance) C4'-P energy: -150.377 bonds (distance) P-C4' energy: -126.862 flat angles C4'-P-C4' energy: -170.578 flat angles P-C4'-P energy: -96.480 tors. eta vs tors. theta energy: -230.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2764.707214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.707214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.707214 (E_RNA) where: Base-Base interactions energy: -1973.130 where: short stacking energy: -801.042 Base-Backbone interact. energy: -1.214 local terms energy: -790.363803 where: bonds (distance) C4'-P energy: -167.008 bonds (distance) P-C4' energy: -147.709 flat angles C4'-P-C4' energy: -163.885 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -207.662 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: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2598.563389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.563389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.563389 (E_RNA) where: Base-Base interactions energy: -1855.874 where: short stacking energy: -712.770 Base-Backbone interact. energy: -2.059 local terms energy: -740.630698 where: bonds (distance) C4'-P energy: -146.111 bonds (distance) P-C4' energy: -151.603 flat angles C4'-P-C4' energy: -149.502 flat angles P-C4'-P energy: -116.762 tors. eta vs tors. theta energy: -176.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2465.604187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.604187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.604187 (E_RNA) where: Base-Base interactions energy: -1734.684 where: short stacking energy: -720.504 Base-Backbone interact. energy: -3.390 local terms energy: -727.530456 where: bonds (distance) C4'-P energy: -122.670 bonds (distance) P-C4' energy: -147.386 flat angles C4'-P-C4' energy: -151.930 flat angles P-C4'-P energy: -116.276 tors. eta vs tors. theta energy: -189.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2294.782805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.782805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.782805 (E_RNA) where: Base-Base interactions energy: -1590.538 where: short stacking energy: -663.007 Base-Backbone interact. energy: -5.613 local terms energy: -698.631239 where: bonds (distance) C4'-P energy: -136.684 bonds (distance) P-C4' energy: -134.330 flat angles C4'-P-C4' energy: -140.927 flat angles P-C4'-P energy: -105.638 tors. eta vs tors. theta energy: -181.051 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: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -2160.081873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.081873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.081873 (E_RNA) where: Base-Base interactions energy: -1480.776 where: short stacking energy: -663.177 Base-Backbone interact. energy: -2.879 local terms energy: -676.427345 where: bonds (distance) C4'-P energy: -97.995 bonds (distance) P-C4' energy: -142.090 flat angles C4'-P-C4' energy: -147.964 flat angles P-C4'-P energy: -92.256 tors. eta vs tors. theta energy: -196.122 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: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1811.599563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.599563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.599563 (E_RNA) where: Base-Base interactions energy: -1209.288 where: short stacking energy: -535.196 Base-Backbone interact. energy: 2.905 local terms energy: -605.215716 where: bonds (distance) C4'-P energy: -118.586 bonds (distance) P-C4' energy: -126.866 flat angles C4'-P-C4' energy: -150.516 flat angles P-C4'-P energy: -94.869 tors. eta vs tors. theta energy: -114.378 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: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1430.245899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.245899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.245899 (E_RNA) where: Base-Base interactions energy: -953.242 where: short stacking energy: -471.293 Base-Backbone interact. energy: 0.912 local terms energy: -477.915686 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -109.859 flat angles C4'-P-C4' energy: -121.298 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -53.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3038.950085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.950085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.950085 (E_RNA) where: Base-Base interactions energy: -2158.347 where: short stacking energy: -896.087 Base-Backbone interact. energy: -2.074 local terms energy: -878.528440 where: bonds (distance) C4'-P energy: -157.967 bonds (distance) P-C4' energy: -157.079 flat angles C4'-P-C4' energy: -185.965 flat angles P-C4'-P energy: -127.794 tors. eta vs tors. theta energy: -249.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2950.447961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.447961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.447961 (E_RNA) where: Base-Base interactions energy: -2099.250 where: short stacking energy: -902.816 Base-Backbone interact. energy: -2.024 local terms energy: -849.173864 where: bonds (distance) C4'-P energy: -135.943 bonds (distance) P-C4' energy: -157.324 flat angles C4'-P-C4' energy: -185.168 flat angles P-C4'-P energy: -124.955 tors. eta vs tors. theta energy: -245.784 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: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2868.642328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.642328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.642328 (E_RNA) where: Base-Base interactions energy: -2038.269 where: short stacking energy: -838.616 Base-Backbone interact. energy: -6.414 local terms energy: -823.959416 where: bonds (distance) C4'-P energy: -136.055 bonds (distance) P-C4' energy: -163.287 flat angles C4'-P-C4' energy: -169.326 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -236.652 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: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2776.764465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.764465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.764465 (E_RNA) where: Base-Base interactions energy: -1978.717 where: short stacking energy: -840.621 Base-Backbone interact. energy: -2.508 local terms energy: -795.538873 where: bonds (distance) C4'-P energy: -150.013 bonds (distance) P-C4' energy: -163.127 flat angles C4'-P-C4' energy: -164.152 flat angles P-C4'-P energy: -108.056 tors. eta vs tors. theta energy: -210.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2632.204331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.204331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.204331 (E_RNA) where: Base-Base interactions energy: -1894.342 where: short stacking energy: -776.673 Base-Backbone interact. energy: -4.167 local terms energy: -733.694767 where: bonds (distance) C4'-P energy: -144.012 bonds (distance) P-C4' energy: -139.918 flat angles C4'-P-C4' energy: -159.786 flat angles P-C4'-P energy: -93.576 tors. eta vs tors. theta energy: -196.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2477.990647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.990647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.990647 (E_RNA) where: Base-Base interactions energy: -1769.903 where: short stacking energy: -713.410 Base-Backbone interact. energy: -5.994 local terms energy: -702.094156 where: bonds (distance) C4'-P energy: -131.144 bonds (distance) P-C4' energy: -127.721 flat angles C4'-P-C4' energy: -168.342 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -177.645 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: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2266.580306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.580306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.580306 (E_RNA) where: Base-Base interactions energy: -1616.539 where: short stacking energy: -692.550 Base-Backbone interact. energy: -1.218 local terms energy: -648.823451 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -141.522 flat angles C4'-P-C4' energy: -139.034 flat angles P-C4'-P energy: -82.579 tors. eta vs tors. theta energy: -181.411 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: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -2102.954049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.954049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.954049 (E_RNA) where: Base-Base interactions energy: -1438.921 where: short stacking energy: -626.768 Base-Backbone interact. energy: 1.330 local terms energy: -665.362602 where: bonds (distance) C4'-P energy: -141.243 bonds (distance) P-C4' energy: -131.733 flat angles C4'-P-C4' energy: -145.185 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -158.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1885.388927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.388927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.388927 (E_RNA) where: Base-Base interactions energy: -1305.037 where: short stacking energy: -572.953 Base-Backbone interact. energy: 3.320 local terms energy: -583.671947 where: bonds (distance) C4'-P energy: -117.007 bonds (distance) P-C4' energy: -144.642 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -113.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1524.824760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.824760 (E_RNA) where: Base-Base interactions energy: -952.786 where: short stacking energy: -452.117 Base-Backbone interact. energy: -0.375 local terms energy: -571.664145 where: bonds (distance) C4'-P energy: -127.572 bonds (distance) P-C4' energy: -148.008 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -85.530 tors. eta vs tors. theta energy: -71.800 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: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3046.260948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.260948 (E_RNA) where: Base-Base interactions energy: -2161.234 where: short stacking energy: -905.665 Base-Backbone interact. energy: -4.914 local terms energy: -880.113328 where: bonds (distance) C4'-P energy: -141.524 bonds (distance) P-C4' energy: -157.608 flat angles C4'-P-C4' energy: -201.283 flat angles P-C4'-P energy: -127.453 tors. eta vs tors. theta energy: -252.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2964.379976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.379976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.379976 (E_RNA) where: Base-Base interactions energy: -2140.962 where: short stacking energy: -912.068 Base-Backbone interact. energy: -3.343 local terms energy: -820.075013 where: bonds (distance) C4'-P energy: -140.634 bonds (distance) P-C4' energy: -142.142 flat angles C4'-P-C4' energy: -183.155 flat angles P-C4'-P energy: -113.490 tors. eta vs tors. theta energy: -240.653 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: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2846.931240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.931240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.931240 (E_RNA) where: Base-Base interactions energy: -2029.603 where: short stacking energy: -842.525 Base-Backbone interact. energy: -3.864 local terms energy: -813.464550 where: bonds (distance) C4'-P energy: -148.082 bonds (distance) P-C4' energy: -144.018 flat angles C4'-P-C4' energy: -168.676 flat angles P-C4'-P energy: -117.445 tors. eta vs tors. theta energy: -235.243 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: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2756.225838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.225838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.225838 (E_RNA) where: Base-Base interactions energy: -1987.121 where: short stacking energy: -796.739 Base-Backbone interact. energy: -1.692 local terms energy: -767.412298 where: bonds (distance) C4'-P energy: -158.692 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -171.415 flat angles P-C4'-P energy: -108.072 tors. eta vs tors. theta energy: -202.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2571.521202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.521202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.521202 (E_RNA) where: Base-Base interactions energy: -1861.175 where: short stacking energy: -762.581 Base-Backbone interact. energy: -3.391 local terms energy: -706.955016 where: bonds (distance) C4'-P energy: -109.651 bonds (distance) P-C4' energy: -149.399 flat angles C4'-P-C4' energy: -149.708 flat angles P-C4'-P energy: -105.258 tors. eta vs tors. theta energy: -192.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2430.078480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.078480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.078480 (E_RNA) where: Base-Base interactions energy: -1735.586 where: short stacking energy: -713.663 Base-Backbone interact. energy: 2.932 local terms energy: -697.424401 where: bonds (distance) C4'-P energy: -127.706 bonds (distance) P-C4' energy: -125.520 flat angles C4'-P-C4' energy: -167.835 flat angles P-C4'-P energy: -110.321 tors. eta vs tors. theta energy: -166.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2318.404935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.404935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.404935 (E_RNA) where: Base-Base interactions energy: -1652.362 where: short stacking energy: -682.204 Base-Backbone interact. energy: -4.207 local terms energy: -661.835108 where: bonds (distance) C4'-P energy: -124.717 bonds (distance) P-C4' energy: -116.019 flat angles C4'-P-C4' energy: -164.363 flat angles P-C4'-P energy: -84.048 tors. eta vs tors. theta energy: -172.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -2102.133882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.133882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.133882 (E_RNA) where: Base-Base interactions energy: -1470.406 where: short stacking energy: -607.822 Base-Backbone interact. energy: 4.404 local terms energy: -636.131378 where: bonds (distance) C4'-P energy: -110.627 bonds (distance) P-C4' energy: -136.281 flat angles C4'-P-C4' energy: -150.206 flat angles P-C4'-P energy: -90.588 tors. eta vs tors. theta energy: -148.429 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: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1894.583492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.583492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.583492 (E_RNA) where: Base-Base interactions energy: -1293.948 where: short stacking energy: -583.190 Base-Backbone interact. energy: -3.883 local terms energy: -596.752433 where: bonds (distance) C4'-P energy: -114.747 bonds (distance) P-C4' energy: -122.327 flat angles C4'-P-C4' energy: -137.067 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: -132.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1429.370105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.370105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.370105 (E_RNA) where: Base-Base interactions energy: -922.104 where: short stacking energy: -446.557 Base-Backbone interact. energy: -1.558 local terms energy: -505.708591 where: bonds (distance) C4'-P energy: -129.631 bonds (distance) P-C4' energy: -125.830 flat angles C4'-P-C4' energy: -124.635 flat angles P-C4'-P energy: -68.597 tors. eta vs tors. theta energy: -57.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3035.004948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.004948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.004948 (E_RNA) where: Base-Base interactions energy: -2142.940 where: short stacking energy: -913.208 Base-Backbone interact. energy: -4.078 local terms energy: -887.986819 where: bonds (distance) C4'-P energy: -166.623 bonds (distance) P-C4' energy: -159.041 flat angles C4'-P-C4' energy: -188.105 flat angles P-C4'-P energy: -123.602 tors. eta vs tors. theta energy: -250.616 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: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2952.923608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.923608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.923608 (E_RNA) where: Base-Base interactions energy: -2103.789 where: short stacking energy: -890.159 Base-Backbone interact. energy: 2.171 local terms energy: -851.305505 where: bonds (distance) C4'-P energy: -155.991 bonds (distance) P-C4' energy: -145.223 flat angles C4'-P-C4' energy: -184.696 flat angles P-C4'-P energy: -127.297 tors. eta vs tors. theta energy: -238.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2830.024931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.024931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.024931 (E_RNA) where: Base-Base interactions energy: -2022.576 where: short stacking energy: -854.309 Base-Backbone interact. energy: -2.894 local terms energy: -804.554759 where: bonds (distance) C4'-P energy: -154.013 bonds (distance) P-C4' energy: -146.267 flat angles C4'-P-C4' energy: -168.177 flat angles P-C4'-P energy: -110.652 tors. eta vs tors. theta energy: -225.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2779.343840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.343840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.343840 (E_RNA) where: Base-Base interactions energy: -2021.122 where: short stacking energy: -857.332 Base-Backbone interact. energy: -0.570 local terms energy: -757.651835 where: bonds (distance) C4'-P energy: -135.524 bonds (distance) P-C4' energy: -117.357 flat angles C4'-P-C4' energy: -178.661 flat angles P-C4'-P energy: -115.835 tors. eta vs tors. theta energy: -210.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2594.032736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.032736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.032736 (E_RNA) where: Base-Base interactions energy: -1844.890 where: short stacking energy: -779.942 Base-Backbone interact. energy: -2.831 local terms energy: -746.311643 where: bonds (distance) C4'-P energy: -128.804 bonds (distance) P-C4' energy: -131.335 flat angles C4'-P-C4' energy: -170.922 flat angles P-C4'-P energy: -104.982 tors. eta vs tors. theta energy: -210.268 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: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2467.944247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.944247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.944247 (E_RNA) where: Base-Base interactions energy: -1743.784 where: short stacking energy: -741.469 Base-Backbone interact. energy: -4.655 local terms energy: -719.505321 where: bonds (distance) C4'-P energy: -140.012 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -169.463 flat angles P-C4'-P energy: -97.634 tors. eta vs tors. theta energy: -184.696 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: 7, replica: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2294.325888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.325888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.325888 (E_RNA) where: Base-Base interactions energy: -1603.688 where: short stacking energy: -667.818 Base-Backbone interact. energy: -2.495 local terms energy: -688.143162 where: bonds (distance) C4'-P energy: -126.245 bonds (distance) P-C4' energy: -155.978 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -89.698 tors. eta vs tors. theta energy: -171.567 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: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -2146.133071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.133071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.133071 (E_RNA) where: Base-Base interactions energy: -1467.635 where: short stacking energy: -630.081 Base-Backbone interact. energy: 0.231 local terms energy: -678.729012 where: bonds (distance) C4'-P energy: -142.593 bonds (distance) P-C4' energy: -143.339 flat angles C4'-P-C4' energy: -148.037 flat angles P-C4'-P energy: -95.795 tors. eta vs tors. theta energy: -148.966 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: 347 Temperature: 1.300000 Total energy: -1814.946613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.946613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.946613 (E_RNA) where: Base-Base interactions energy: -1243.273 where: short stacking energy: -526.074 Base-Backbone interact. energy: 6.807 local terms energy: -578.481250 where: bonds (distance) C4'-P energy: -101.969 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -140.592 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -111.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1428.402236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.402236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.402236 (E_RNA) where: Base-Base interactions energy: -910.867 where: short stacking energy: -408.524 Base-Backbone interact. energy: -3.249 local terms energy: -514.286447 where: bonds (distance) C4'-P energy: -131.682 bonds (distance) P-C4' energy: -101.186 flat angles C4'-P-C4' energy: -118.860 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -74.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3029.711098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.711098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.711098 (E_RNA) where: Base-Base interactions energy: -2160.608 where: short stacking energy: -913.398 Base-Backbone interact. energy: 2.871 local terms energy: -871.973726 where: bonds (distance) C4'-P energy: -150.208 bonds (distance) P-C4' energy: -174.850 flat angles C4'-P-C4' energy: -190.919 flat angles P-C4'-P energy: -106.678 tors. eta vs tors. theta energy: -249.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2993.173717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.173717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.173717 (E_RNA) where: Base-Base interactions energy: -2146.255 where: short stacking energy: -916.672 Base-Backbone interact. energy: -1.603 local terms energy: -845.315230 where: bonds (distance) C4'-P energy: -143.099 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -181.593 flat angles P-C4'-P energy: -122.710 tors. eta vs tors. theta energy: -244.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2830.298242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.298242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.298242 (E_RNA) where: Base-Base interactions energy: -2004.275 where: short stacking energy: -845.707 Base-Backbone interact. energy: -4.508 local terms energy: -821.515359 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -153.919 flat angles C4'-P-C4' energy: -179.834 flat angles P-C4'-P energy: -112.183 tors. eta vs tors. theta energy: -220.306 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: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2762.365406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.365406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.365406 (E_RNA) where: Base-Base interactions energy: -2000.092 where: short stacking energy: -825.997 Base-Backbone interact. energy: -4.635 local terms energy: -757.638634 where: bonds (distance) C4'-P energy: -135.874 bonds (distance) P-C4' energy: -137.656 flat angles C4'-P-C4' energy: -160.441 flat angles P-C4'-P energy: -115.459 tors. eta vs tors. theta energy: -208.209 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2589.918919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.918919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.918919 (E_RNA) where: Base-Base interactions energy: -1846.385 where: short stacking energy: -754.491 Base-Backbone interact. energy: 1.225 local terms energy: -744.759593 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -157.433 flat angles C4'-P-C4' energy: -163.431 flat angles P-C4'-P energy: -93.339 tors. eta vs tors. theta energy: -196.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2470.154504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.154504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.154504 (E_RNA) where: Base-Base interactions energy: -1748.653 where: short stacking energy: -727.505 Base-Backbone interact. energy: 2.992 local terms energy: -724.494239 where: bonds (distance) C4'-P energy: -121.411 bonds (distance) P-C4' energy: -149.522 flat angles C4'-P-C4' energy: -170.160 flat angles P-C4'-P energy: -113.390 tors. eta vs tors. theta energy: -170.012 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: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2256.807912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.807912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.807912 (E_RNA) where: Base-Base interactions energy: -1601.992 where: short stacking energy: -694.964 Base-Backbone interact. energy: -3.789 local terms energy: -651.027113 where: bonds (distance) C4'-P energy: -116.194 bonds (distance) P-C4' energy: -132.451 flat angles C4'-P-C4' energy: -141.436 flat angles P-C4'-P energy: -86.053 tors. eta vs tors. theta energy: -174.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2125.542701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.542701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.542701 (E_RNA) where: Base-Base interactions energy: -1487.849 where: short stacking energy: -591.606 Base-Backbone interact. energy: -0.768 local terms energy: -636.926536 where: bonds (distance) C4'-P energy: -128.076 bonds (distance) P-C4' energy: -138.717 flat angles C4'-P-C4' energy: -133.402 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -144.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1777.252647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.252647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.252647 (E_RNA) where: Base-Base interactions energy: -1218.458 where: short stacking energy: -501.528 Base-Backbone interact. energy: 0.002 local terms energy: -558.796080 where: bonds (distance) C4'-P energy: -139.991 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -81.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1364.783531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.783531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.783531 (E_RNA) where: Base-Base interactions energy: -882.018 where: short stacking energy: -435.762 Base-Backbone interact. energy: -3.020 local terms energy: -479.745531 where: bonds (distance) C4'-P energy: -139.452 bonds (distance) P-C4' energy: -114.043 flat angles C4'-P-C4' energy: -106.356 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -56.539 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: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3041.970752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.970752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.970752 (E_RNA) where: Base-Base interactions energy: -2165.991 where: short stacking energy: -876.189 Base-Backbone interact. energy: -4.213 local terms energy: -871.766242 where: bonds (distance) C4'-P energy: -146.290 bonds (distance) P-C4' energy: -163.122 flat angles C4'-P-C4' energy: -189.392 flat angles P-C4'-P energy: -121.846 tors. eta vs tors. theta energy: -251.116 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: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2982.057463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.057463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.057463 (E_RNA) where: Base-Base interactions energy: -2124.545 where: short stacking energy: -917.335 Base-Backbone interact. energy: -4.676 local terms energy: -852.835580 where: bonds (distance) C4'-P energy: -138.971 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -185.629 flat angles P-C4'-P energy: -123.837 tors. eta vs tors. theta energy: -242.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2849.649660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.649660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.649660 (E_RNA) where: Base-Base interactions energy: -2032.124 where: short stacking energy: -834.124 Base-Backbone interact. energy: -1.245 local terms energy: -816.280556 where: bonds (distance) C4'-P energy: -153.984 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -170.931 flat angles P-C4'-P energy: -119.430 tors. eta vs tors. theta energy: -229.158 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: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2774.705493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.705493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.705493 (E_RNA) where: Base-Base interactions energy: -1995.875 where: short stacking energy: -808.113 Base-Backbone interact. energy: -8.807 local terms energy: -770.023951 where: bonds (distance) C4'-P energy: -130.942 bonds (distance) P-C4' energy: -149.813 flat angles C4'-P-C4' energy: -174.699 flat angles P-C4'-P energy: -117.476 tors. eta vs tors. theta energy: -197.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2573.154622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.154622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.154622 (E_RNA) where: Base-Base interactions energy: -1789.409 where: short stacking energy: -719.621 Base-Backbone interact. energy: -1.561 local terms energy: -782.184050 where: bonds (distance) C4'-P energy: -142.179 bonds (distance) P-C4' energy: -160.130 flat angles C4'-P-C4' energy: -169.263 flat angles P-C4'-P energy: -114.536 tors. eta vs tors. theta energy: -196.076 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: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2480.062444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.062444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.062444 (E_RNA) where: Base-Base interactions energy: -1753.194 where: short stacking energy: -731.009 Base-Backbone interact. energy: 1.069 local terms energy: -727.937785 where: bonds (distance) C4'-P energy: -139.437 bonds (distance) P-C4' energy: -126.122 flat angles C4'-P-C4' energy: -174.915 flat angles P-C4'-P energy: -103.401 tors. eta vs tors. theta energy: -184.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2274.441315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.441315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.441315 (E_RNA) where: Base-Base interactions energy: -1604.262 where: short stacking energy: -681.642 Base-Backbone interact. energy: -2.328 local terms energy: -667.850650 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -150.110 flat angles P-C4'-P energy: -81.913 tors. eta vs tors. theta energy: -190.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -2130.461030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.461030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.461030 (E_RNA) where: Base-Base interactions energy: -1494.174 where: short stacking energy: -624.816 Base-Backbone interact. energy: 5.821 local terms energy: -642.107452 where: bonds (distance) C4'-P energy: -136.504 bonds (distance) P-C4' energy: -121.697 flat angles C4'-P-C4' energy: -157.567 flat angles P-C4'-P energy: -82.630 tors. eta vs tors. theta energy: -143.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1917.350575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.350575 (E_RNA) where: Base-Base interactions energy: -1329.617 where: short stacking energy: -592.035 Base-Backbone interact. energy: -2.306 local terms energy: -585.428208 where: bonds (distance) C4'-P energy: -110.812 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -139.703 flat angles P-C4'-P energy: -80.430 tors. eta vs tors. theta energy: -133.736 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: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1365.502887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.502887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.502887 (E_RNA) where: Base-Base interactions energy: -885.081 where: short stacking energy: -426.392 Base-Backbone interact. energy: 0.118 local terms energy: -480.540538 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -42.009 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: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3035.297690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.297690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.297690 (E_RNA) where: Base-Base interactions energy: -2183.138 where: short stacking energy: -940.507 Base-Backbone interact. energy: -3.161 local terms energy: -848.998635 where: bonds (distance) C4'-P energy: -161.989 bonds (distance) P-C4' energy: -145.029 flat angles C4'-P-C4' energy: -176.417 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -247.713 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: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2988.351366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.351366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.351366 (E_RNA) where: Base-Base interactions energy: -2142.505 where: short stacking energy: -885.813 Base-Backbone interact. energy: -0.328 local terms energy: -845.518244 where: bonds (distance) C4'-P energy: -142.354 bonds (distance) P-C4' energy: -154.076 flat angles C4'-P-C4' energy: -194.628 flat angles P-C4'-P energy: -114.693 tors. eta vs tors. theta energy: -239.768 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2833.960511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.960511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.960511 (E_RNA) where: Base-Base interactions energy: -2014.628 where: short stacking energy: -852.110 Base-Backbone interact. energy: -2.649 local terms energy: -816.683722 where: bonds (distance) C4'-P energy: -147.863 bonds (distance) P-C4' energy: -147.397 flat angles C4'-P-C4' energy: -166.935 flat angles P-C4'-P energy: -117.972 tors. eta vs tors. theta energy: -236.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2762.797999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.797999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.797999 (E_RNA) where: Base-Base interactions energy: -2004.969 where: short stacking energy: -824.003 Base-Backbone interact. energy: -3.536 local terms energy: -754.293549 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -153.939 flat angles C4'-P-C4' energy: -158.147 flat angles P-C4'-P energy: -106.350 tors. eta vs tors. theta energy: -215.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2559.647679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.647679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.647679 (E_RNA) where: Base-Base interactions energy: -1789.022 where: short stacking energy: -763.749 Base-Backbone interact. energy: -4.388 local terms energy: -766.237827 where: bonds (distance) C4'-P energy: -158.837 bonds (distance) P-C4' energy: -139.120 flat angles C4'-P-C4' energy: -172.249 flat angles P-C4'-P energy: -97.597 tors. eta vs tors. theta energy: -198.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2432.758596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.758596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.758596 (E_RNA) where: Base-Base interactions energy: -1713.599 where: short stacking energy: -692.634 Base-Backbone interact. energy: 4.177 local terms energy: -723.336076 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -149.733 flat angles C4'-P-C4' energy: -163.361 flat angles P-C4'-P energy: -97.719 tors. eta vs tors. theta energy: -172.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2308.756280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.756280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.756280 (E_RNA) where: Base-Base interactions energy: -1603.550 where: short stacking energy: -665.647 Base-Backbone interact. energy: -2.979 local terms energy: -702.227310 where: bonds (distance) C4'-P energy: -140.667 bonds (distance) P-C4' energy: -132.774 flat angles C4'-P-C4' energy: -155.770 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -169.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -2127.332678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.332678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.332678 (E_RNA) where: Base-Base interactions energy: -1455.457 where: short stacking energy: -590.924 Base-Backbone interact. energy: 0.182 local terms energy: -672.056964 where: bonds (distance) C4'-P energy: -137.941 bonds (distance) P-C4' energy: -132.632 flat angles C4'-P-C4' energy: -154.684 flat angles P-C4'-P energy: -103.274 tors. eta vs tors. theta energy: -143.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1835.339491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.339491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.339491 (E_RNA) where: Base-Base interactions energy: -1249.702 where: short stacking energy: -530.809 Base-Backbone interact. energy: 0.599 local terms energy: -586.236105 where: bonds (distance) C4'-P energy: -113.784 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -142.197 flat angles P-C4'-P energy: -80.611 tors. eta vs tors. theta energy: -122.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1427.534816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.534816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.534816 (E_RNA) where: Base-Base interactions energy: -928.925 where: short stacking energy: -439.276 Base-Backbone interact. energy: -0.953 local terms energy: -497.656715 where: bonds (distance) C4'-P energy: -118.168 bonds (distance) P-C4' energy: -124.994 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -67.798 tors. eta vs tors. theta energy: -62.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2994.622931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.622931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.622931 (E_RNA) where: Base-Base interactions energy: -2129.348 where: short stacking energy: -910.479 Base-Backbone interact. energy: -1.596 local terms energy: -863.678963 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -163.799 flat angles C4'-P-C4' energy: -182.538 flat angles P-C4'-P energy: -125.990 tors. eta vs tors. theta energy: -243.502 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: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2975.300924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.300924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.300924 (E_RNA) where: Base-Base interactions energy: -2113.554 where: short stacking energy: -883.827 Base-Backbone interact. energy: -3.477 local terms energy: -858.269267 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -159.406 flat angles C4'-P-C4' energy: -177.884 flat angles P-C4'-P energy: -122.887 tors. eta vs tors. theta energy: -236.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2811.196993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.196993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.196993 (E_RNA) where: Base-Base interactions energy: -2007.959 where: short stacking energy: -825.847 Base-Backbone interact. energy: -5.779 local terms energy: -797.458970 where: bonds (distance) C4'-P energy: -162.012 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -172.463 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -215.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2827.126216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.126216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.126216 (E_RNA) where: Base-Base interactions energy: -2007.889 where: short stacking energy: -855.324 Base-Backbone interact. energy: -2.721 local terms energy: -816.515694 where: bonds (distance) C4'-P energy: -147.131 bonds (distance) P-C4' energy: -140.492 flat angles C4'-P-C4' energy: -185.914 flat angles P-C4'-P energy: -120.367 tors. eta vs tors. theta energy: -222.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2538.246340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.246340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.246340 (E_RNA) where: Base-Base interactions energy: -1785.167 where: short stacking energy: -726.606 Base-Backbone interact. energy: -1.564 local terms energy: -751.515575 where: bonds (distance) C4'-P energy: -136.721 bonds (distance) P-C4' energy: -159.631 flat angles C4'-P-C4' energy: -155.264 flat angles P-C4'-P energy: -111.806 tors. eta vs tors. theta energy: -188.094 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: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2404.800320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.800320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.800320 (E_RNA) where: Base-Base interactions energy: -1721.450 where: short stacking energy: -729.978 Base-Backbone interact. energy: -2.036 local terms energy: -681.314293 where: bonds (distance) C4'-P energy: -109.438 bonds (distance) P-C4' energy: -128.122 flat angles C4'-P-C4' energy: -160.637 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -174.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2321.513403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.513403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.513403 (E_RNA) where: Base-Base interactions energy: -1647.695 where: short stacking energy: -681.116 Base-Backbone interact. energy: -3.562 local terms energy: -670.256546 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -150.926 flat angles P-C4'-P energy: -88.189 tors. eta vs tors. theta energy: -184.019 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: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2143.884099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.884099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.884099 (E_RNA) where: Base-Base interactions energy: -1484.950 where: short stacking energy: -639.461 Base-Backbone interact. energy: -4.238 local terms energy: -654.696134 where: bonds (distance) C4'-P energy: -116.292 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -132.941 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -164.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1824.679496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.679496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.679496 (E_RNA) where: Base-Base interactions energy: -1248.447 where: short stacking energy: -529.417 Base-Backbone interact. energy: -2.397 local terms energy: -573.835564 where: bonds (distance) C4'-P energy: -119.036 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -139.612 flat angles P-C4'-P energy: -81.146 tors. eta vs tors. theta energy: -117.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1329.244079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.244079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.244079 (E_RNA) where: Base-Base interactions energy: -820.440 where: short stacking energy: -367.989 Base-Backbone interact. energy: 0.223 local terms energy: -509.027206 where: bonds (distance) C4'-P energy: -100.927 bonds (distance) P-C4' energy: -138.828 flat angles C4'-P-C4' energy: -146.853 flat angles P-C4'-P energy: -73.314 tors. eta vs tors. theta energy: -49.104 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: 352 Temperature: 0.900000 Total energy: -3027.018399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.018399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.018399 (E_RNA) where: Base-Base interactions energy: -2137.468 where: short stacking energy: -911.480 Base-Backbone interact. energy: -5.917 local terms energy: -883.633564 where: bonds (distance) C4'-P energy: -139.909 bonds (distance) P-C4' energy: -160.498 flat angles C4'-P-C4' energy: -187.276 flat angles P-C4'-P energy: -135.132 tors. eta vs tors. theta energy: -260.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2984.804119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.804119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.804119 (E_RNA) where: Base-Base interactions energy: -2129.959 where: short stacking energy: -882.063 Base-Backbone interact. energy: -0.710 local terms energy: -854.135540 where: bonds (distance) C4'-P energy: -143.247 bonds (distance) P-C4' energy: -157.900 flat angles C4'-P-C4' energy: -187.688 flat angles P-C4'-P energy: -121.923 tors. eta vs tors. theta energy: -243.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2852.568456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.568456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.568456 (E_RNA) where: Base-Base interactions energy: -2032.656 where: short stacking energy: -833.819 Base-Backbone interact. energy: -7.322 local terms energy: -812.590474 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -150.044 flat angles C4'-P-C4' energy: -180.946 flat angles P-C4'-P energy: -111.966 tors. eta vs tors. theta energy: -217.055 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: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2790.920797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.920797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.920797 (E_RNA) where: Base-Base interactions energy: -1996.725 where: short stacking energy: -832.844 Base-Backbone interact. energy: -7.059 local terms energy: -787.136354 where: bonds (distance) C4'-P energy: -127.356 bonds (distance) P-C4' energy: -149.967 flat angles C4'-P-C4' energy: -168.212 flat angles P-C4'-P energy: -129.256 tors. eta vs tors. theta energy: -212.346 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: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2590.281091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.281091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.281091 (E_RNA) where: Base-Base interactions energy: -1856.659 where: short stacking energy: -769.650 Base-Backbone interact. energy: -1.830 local terms energy: -731.792478 where: bonds (distance) C4'-P energy: -129.325 bonds (distance) P-C4' energy: -131.457 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -114.210 tors. eta vs tors. theta energy: -197.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2450.790991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.790991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.790991 (E_RNA) where: Base-Base interactions energy: -1723.635 where: short stacking energy: -732.359 Base-Backbone interact. energy: -3.354 local terms energy: -723.801770 where: bonds (distance) C4'-P energy: -136.024 bonds (distance) P-C4' energy: -124.357 flat angles C4'-P-C4' energy: -161.422 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -194.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2318.781248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.781248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.781248 (E_RNA) where: Base-Base interactions energy: -1605.505 where: short stacking energy: -657.937 Base-Backbone interact. energy: -3.744 local terms energy: -709.531563 where: bonds (distance) C4'-P energy: -125.011 bonds (distance) P-C4' energy: -139.255 flat angles C4'-P-C4' energy: -153.689 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -196.882 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: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -2145.610343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.610343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.610343 (E_RNA) where: Base-Base interactions energy: -1478.568 where: short stacking energy: -634.038 Base-Backbone interact. energy: 1.278 local terms energy: -668.320438 where: bonds (distance) C4'-P energy: -117.804 bonds (distance) P-C4' energy: -127.637 flat angles C4'-P-C4' energy: -150.641 flat angles P-C4'-P energy: -107.958 tors. eta vs tors. theta energy: -164.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1933.025997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.025997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.025997 (E_RNA) where: Base-Base interactions energy: -1301.618 where: short stacking energy: -571.244 Base-Backbone interact. energy: -4.309 local terms energy: -627.099355 where: bonds (distance) C4'-P energy: -117.990 bonds (distance) P-C4' energy: -125.991 flat angles C4'-P-C4' energy: -149.493 flat angles P-C4'-P energy: -86.408 tors. eta vs tors. theta energy: -147.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1361.466589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.466589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.466589 (E_RNA) where: Base-Base interactions energy: -852.798 where: short stacking energy: -408.607 Base-Backbone interact. energy: 3.369 local terms energy: -512.037573 where: bonds (distance) C4'-P energy: -128.868 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -96.255 flat angles P-C4'-P energy: -91.014 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3038.617590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.617590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.617590 (E_RNA) where: Base-Base interactions energy: -2157.274 where: short stacking energy: -890.523 Base-Backbone interact. energy: -8.677 local terms energy: -872.666417 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -181.221 flat angles C4'-P-C4' energy: -182.470 flat angles P-C4'-P energy: -110.474 tors. eta vs tors. theta energy: -244.461 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: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2967.201478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.201478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.201478 (E_RNA) where: Base-Base interactions energy: -2108.063 where: short stacking energy: -861.543 Base-Backbone interact. energy: -2.682 local terms energy: -856.456088 where: bonds (distance) C4'-P energy: -158.999 bonds (distance) P-C4' energy: -146.878 flat angles C4'-P-C4' energy: -188.129 flat angles P-C4'-P energy: -123.682 tors. eta vs tors. theta energy: -238.768 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: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2823.989062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.989062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.989062 (E_RNA) where: Base-Base interactions energy: -2003.551 where: short stacking energy: -837.708 Base-Backbone interact. energy: -2.962 local terms energy: -817.476617 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -156.426 flat angles C4'-P-C4' energy: -186.055 flat angles P-C4'-P energy: -111.318 tors. eta vs tors. theta energy: -224.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2726.491663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.491663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.491663 (E_RNA) where: Base-Base interactions energy: -1954.477 where: short stacking energy: -814.547 Base-Backbone interact. energy: -4.907 local terms energy: -767.107754 where: bonds (distance) C4'-P energy: -137.289 bonds (distance) P-C4' energy: -141.938 flat angles C4'-P-C4' energy: -167.702 flat angles P-C4'-P energy: -113.769 tors. eta vs tors. theta energy: -206.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2602.581364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.581364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.581364 (E_RNA) where: Base-Base interactions energy: -1844.899 where: short stacking energy: -772.175 Base-Backbone interact. energy: -0.061 local terms energy: -757.621250 where: bonds (distance) C4'-P energy: -127.242 bonds (distance) P-C4' energy: -140.459 flat angles C4'-P-C4' energy: -171.369 flat angles P-C4'-P energy: -115.469 tors. eta vs tors. theta energy: -203.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2426.012844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.012844 (E_RNA) where: Base-Base interactions energy: -1716.866 where: short stacking energy: -725.818 Base-Backbone interact. energy: -3.086 local terms energy: -706.059997 where: bonds (distance) C4'-P energy: -118.109 bonds (distance) P-C4' energy: -145.401 flat angles C4'-P-C4' energy: -162.819 flat angles P-C4'-P energy: -100.426 tors. eta vs tors. theta energy: -179.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2304.803756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.803756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.803756 (E_RNA) where: Base-Base interactions energy: -1633.744 where: short stacking energy: -690.914 Base-Backbone interact. energy: 0.656 local terms energy: -671.716036 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -140.393 flat angles C4'-P-C4' energy: -148.282 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -179.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -2165.935613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.935613 (E_RNA) where: Base-Base interactions energy: -1481.562 where: short stacking energy: -616.683 Base-Backbone interact. energy: -2.305 local terms energy: -682.068575 where: bonds (distance) C4'-P energy: -124.166 bonds (distance) P-C4' energy: -156.656 flat angles C4'-P-C4' energy: -157.911 flat angles P-C4'-P energy: -91.972 tors. eta vs tors. theta energy: -151.363 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: 353 Temperature: 1.300000 Total energy: -1879.067652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.067652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.067652 (E_RNA) where: Base-Base interactions energy: -1283.276 where: short stacking energy: -560.909 Base-Backbone interact. energy: -1.093 local terms energy: -594.698098 where: bonds (distance) C4'-P energy: -128.891 bonds (distance) P-C4' energy: -126.841 flat angles C4'-P-C4' energy: -138.875 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -120.932 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: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1346.414097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.414097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.414097 (E_RNA) where: Base-Base interactions energy: -884.138 where: short stacking energy: -416.339 Base-Backbone interact. energy: -2.438 local terms energy: -459.838142 where: bonds (distance) C4'-P energy: -96.099 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -110.404 flat angles P-C4'-P energy: -59.523 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: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3041.554122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.554122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.554122 (E_RNA) where: Base-Base interactions energy: -2169.279 where: short stacking energy: -908.688 Base-Backbone interact. energy: -3.674 local terms energy: -868.600546 where: bonds (distance) C4'-P energy: -156.929 bonds (distance) P-C4' energy: -158.403 flat angles C4'-P-C4' energy: -180.933 flat angles P-C4'-P energy: -127.434 tors. eta vs tors. theta energy: -244.902 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: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2990.079830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.079830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.079830 (E_RNA) where: Base-Base interactions energy: -2122.769 where: short stacking energy: -879.445 Base-Backbone interact. energy: -1.741 local terms energy: -865.569640 where: bonds (distance) C4'-P energy: -156.383 bonds (distance) P-C4' energy: -176.103 flat angles C4'-P-C4' energy: -179.249 flat angles P-C4'-P energy: -112.584 tors. eta vs tors. theta energy: -241.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2833.760529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.760529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.760529 (E_RNA) where: Base-Base interactions energy: -2028.625 where: short stacking energy: -853.581 Base-Backbone interact. energy: -4.041 local terms energy: -801.094713 where: bonds (distance) C4'-P energy: -151.245 bonds (distance) P-C4' energy: -150.589 flat angles C4'-P-C4' energy: -164.789 flat angles P-C4'-P energy: -110.077 tors. eta vs tors. theta energy: -224.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2752.001313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.001313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.001313 (E_RNA) where: Base-Base interactions energy: -1966.996 where: short stacking energy: -817.442 Base-Backbone interact. energy: -3.718 local terms energy: -781.286985 where: bonds (distance) C4'-P energy: -142.727 bonds (distance) P-C4' energy: -130.845 flat angles C4'-P-C4' energy: -175.834 flat angles P-C4'-P energy: -128.906 tors. eta vs tors. theta energy: -202.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2621.422074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.422074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.422074 (E_RNA) where: Base-Base interactions energy: -1849.791 where: short stacking energy: -769.679 Base-Backbone interact. energy: -6.168 local terms energy: -765.463354 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -150.030 flat angles C4'-P-C4' energy: -167.707 flat angles P-C4'-P energy: -118.074 tors. eta vs tors. theta energy: -196.712 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: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2467.085847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.085847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.085847 (E_RNA) where: Base-Base interactions energy: -1764.740 where: short stacking energy: -728.107 Base-Backbone interact. energy: 4.424 local terms energy: -706.770520 where: bonds (distance) C4'-P energy: -136.204 bonds (distance) P-C4' energy: -123.626 flat angles C4'-P-C4' energy: -169.359 flat angles P-C4'-P energy: -86.069 tors. eta vs tors. theta energy: -191.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2171.216277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.216277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.216277 (E_RNA) where: Base-Base interactions energy: -1509.594 where: short stacking energy: -639.379 Base-Backbone interact. energy: -5.190 local terms energy: -656.431994 where: bonds (distance) C4'-P energy: -130.999 bonds (distance) P-C4' energy: -127.166 flat angles C4'-P-C4' energy: -148.456 flat angles P-C4'-P energy: -89.127 tors. eta vs tors. theta energy: -160.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2092.631000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.631000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.631000 (E_RNA) where: Base-Base interactions energy: -1474.919 where: short stacking energy: -640.674 Base-Backbone interact. energy: 3.920 local terms energy: -621.631552 where: bonds (distance) C4'-P energy: -118.272 bonds (distance) P-C4' energy: -127.678 flat angles C4'-P-C4' energy: -137.980 flat angles P-C4'-P energy: -83.875 tors. eta vs tors. theta energy: -153.827 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: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1842.848862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.848862 (E_RNA) where: Base-Base interactions energy: -1258.538 where: short stacking energy: -551.710 Base-Backbone interact. energy: -3.510 local terms energy: -580.800744 where: bonds (distance) C4'-P energy: -107.453 bonds (distance) P-C4' energy: -118.717 flat angles C4'-P-C4' energy: -138.026 flat angles P-C4'-P energy: -99.441 tors. eta vs tors. theta energy: -117.163 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: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1279.998950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.998950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.998950 (E_RNA) where: Base-Base interactions energy: -824.380 where: short stacking energy: -382.308 Base-Backbone interact. energy: 6.709 local terms energy: -462.328083 where: bonds (distance) C4'-P energy: -104.406 bonds (distance) P-C4' energy: -128.329 flat angles C4'-P-C4' energy: -133.824 flat angles P-C4'-P energy: -67.370 tors. eta vs tors. theta energy: -28.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3050.013313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.013313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.013313 (E_RNA) where: Base-Base interactions energy: -2166.775 where: short stacking energy: -920.814 Base-Backbone interact. energy: -7.863 local terms energy: -875.375981 where: bonds (distance) C4'-P energy: -154.347 bonds (distance) P-C4' energy: -159.401 flat angles C4'-P-C4' energy: -188.356 flat angles P-C4'-P energy: -128.813 tors. eta vs tors. theta energy: -244.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2922.681999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.681999 (E_RNA) where: Base-Base interactions energy: -2066.686 where: short stacking energy: -874.888 Base-Backbone interact. energy: -9.436 local terms energy: -846.560023 where: bonds (distance) C4'-P energy: -154.963 bonds (distance) P-C4' energy: -157.638 flat angles C4'-P-C4' energy: -177.923 flat angles P-C4'-P energy: -124.777 tors. eta vs tors. theta energy: -231.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2920.145191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.145191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.145191 (E_RNA) where: Base-Base interactions energy: -2098.562 where: short stacking energy: -868.025 Base-Backbone interact. energy: 2.285 local terms energy: -823.867330 where: bonds (distance) C4'-P energy: -141.736 bonds (distance) P-C4' energy: -141.358 flat angles C4'-P-C4' energy: -180.559 flat angles P-C4'-P energy: -114.142 tors. eta vs tors. theta energy: -246.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2765.350776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.350776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.350776 (E_RNA) where: Base-Base interactions energy: -2003.565 where: short stacking energy: -812.535 Base-Backbone interact. energy: -2.821 local terms energy: -758.964882 where: bonds (distance) C4'-P energy: -143.278 bonds (distance) P-C4' energy: -149.276 flat angles C4'-P-C4' energy: -160.083 flat angles P-C4'-P energy: -100.260 tors. eta vs tors. theta energy: -206.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2580.952639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.952639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.952639 (E_RNA) where: Base-Base interactions energy: -1823.508 where: short stacking energy: -772.819 Base-Backbone interact. energy: -5.961 local terms energy: -751.483496 where: bonds (distance) C4'-P energy: -144.566 bonds (distance) P-C4' energy: -140.048 flat angles C4'-P-C4' energy: -159.311 flat angles P-C4'-P energy: -115.728 tors. eta vs tors. theta energy: -191.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2491.653067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.653067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.653067 (E_RNA) where: Base-Base interactions energy: -1795.878 where: short stacking energy: -772.339 Base-Backbone interact. energy: 2.868 local terms energy: -698.642965 where: bonds (distance) C4'-P energy: -137.686 bonds (distance) P-C4' energy: -125.144 flat angles C4'-P-C4' energy: -156.717 flat angles P-C4'-P energy: -86.265 tors. eta vs tors. theta energy: -192.830 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: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2246.519812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.519812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.519812 (E_RNA) where: Base-Base interactions energy: -1545.549 where: short stacking energy: -672.458 Base-Backbone interact. energy: -1.436 local terms energy: -699.534348 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -142.525 flat angles C4'-P-C4' energy: -160.934 flat angles P-C4'-P energy: -91.118 tors. eta vs tors. theta energy: -175.379 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: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2145.294734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.294734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.294734 (E_RNA) where: Base-Base interactions energy: -1459.290 where: short stacking energy: -646.649 Base-Backbone interact. energy: -0.560 local terms energy: -685.443923 where: bonds (distance) C4'-P energy: -121.478 bonds (distance) P-C4' energy: -135.152 flat angles C4'-P-C4' energy: -161.925 flat angles P-C4'-P energy: -104.066 tors. eta vs tors. theta energy: -162.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1855.095911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.095911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.095911 (E_RNA) where: Base-Base interactions energy: -1274.483 where: short stacking energy: -553.994 Base-Backbone interact. energy: -1.191 local terms energy: -579.421652 where: bonds (distance) C4'-P energy: -133.101 bonds (distance) P-C4' energy: -123.974 flat angles C4'-P-C4' energy: -131.187 flat angles P-C4'-P energy: -69.848 tors. eta vs tors. theta energy: -121.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1436.824748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.824748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.824748 (E_RNA) where: Base-Base interactions energy: -940.335 where: short stacking energy: -422.968 Base-Backbone interact. energy: 9.082 local terms energy: -505.572524 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -133.910 flat angles C4'-P-C4' energy: -118.291 flat angles P-C4'-P energy: -70.127 tors. eta vs tors. theta energy: -64.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3048.660625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.660625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.660625 (E_RNA) where: Base-Base interactions energy: -2182.867 where: short stacking energy: -938.780 Base-Backbone interact. energy: 0.176 local terms energy: -865.969708 where: bonds (distance) C4'-P energy: -144.027 bonds (distance) P-C4' energy: -168.951 flat angles C4'-P-C4' energy: -179.450 flat angles P-C4'-P energy: -127.526 tors. eta vs tors. theta energy: -246.015 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: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2924.543555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.543555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.543555 (E_RNA) where: Base-Base interactions energy: -2102.184 where: short stacking energy: -848.387 Base-Backbone interact. energy: -3.012 local terms energy: -819.347891 where: bonds (distance) C4'-P energy: -145.210 bonds (distance) P-C4' energy: -146.912 flat angles C4'-P-C4' energy: -177.890 flat angles P-C4'-P energy: -123.349 tors. eta vs tors. theta energy: -225.987 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: 356 Temperature: 1.000000 Total energy: -2912.830901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.830901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.830901 (E_RNA) where: Base-Base interactions energy: -2066.971 where: short stacking energy: -866.530 Base-Backbone interact. energy: -3.504 local terms energy: -842.356014 where: bonds (distance) C4'-P energy: -156.436 bonds (distance) P-C4' energy: -163.091 flat angles C4'-P-C4' energy: -181.198 flat angles P-C4'-P energy: -100.000 tors. eta vs tors. theta energy: -241.630 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: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2741.469774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.469774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.469774 (E_RNA) where: Base-Base interactions energy: -1973.092 where: short stacking energy: -799.700 Base-Backbone interact. energy: -0.432 local terms energy: -767.946369 where: bonds (distance) C4'-P energy: -131.502 bonds (distance) P-C4' energy: -160.331 flat angles C4'-P-C4' energy: -165.904 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -198.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2625.373472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.373472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.373472 (E_RNA) where: Base-Base interactions energy: -1844.571 where: short stacking energy: -777.179 Base-Backbone interact. energy: -5.914 local terms energy: -774.888437 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -148.668 flat angles C4'-P-C4' energy: -171.955 flat angles P-C4'-P energy: -106.665 tors. eta vs tors. theta energy: -212.918 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: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2437.501418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.501418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.501418 (E_RNA) where: Base-Base interactions energy: -1732.023 where: short stacking energy: -740.221 Base-Backbone interact. energy: -2.481 local terms energy: -702.996992 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -137.045 flat angles C4'-P-C4' energy: -158.111 flat angles P-C4'-P energy: -78.642 tors. eta vs tors. theta energy: -189.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2163.294208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.294208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.294208 (E_RNA) where: Base-Base interactions energy: -1485.913 where: short stacking energy: -629.468 Base-Backbone interact. energy: -5.509 local terms energy: -671.871857 where: bonds (distance) C4'-P energy: -125.588 bonds (distance) P-C4' energy: -149.217 flat angles C4'-P-C4' energy: -151.948 flat angles P-C4'-P energy: -97.340 tors. eta vs tors. theta energy: -147.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2239.980918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.980918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.980918 (E_RNA) where: Base-Base interactions energy: -1579.663 where: short stacking energy: -701.557 Base-Backbone interact. energy: 2.600 local terms energy: -662.917662 where: bonds (distance) C4'-P energy: -110.763 bonds (distance) P-C4' energy: -133.009 flat angles C4'-P-C4' energy: -147.399 flat angles P-C4'-P energy: -92.384 tors. eta vs tors. theta energy: -179.363 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: 356 Temperature: 1.300000 Total energy: -1850.266675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.266675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.266675 (E_RNA) where: Base-Base interactions energy: -1242.063 where: short stacking energy: -568.080 Base-Backbone interact. energy: 1.683 local terms energy: -609.887229 where: bonds (distance) C4'-P energy: -142.004 bonds (distance) P-C4' energy: -130.142 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -131.579 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: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1431.165170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.165170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.165170 (E_RNA) where: Base-Base interactions energy: -905.794 where: short stacking energy: -403.594 Base-Backbone interact. energy: 6.426 local terms energy: -531.797434 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -131.662 flat angles P-C4'-P energy: -86.692 tors. eta vs tors. theta energy: -49.412 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: 357 Temperature: 0.900000 Total energy: -3023.930478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.930478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.930478 (E_RNA) where: Base-Base interactions energy: -2146.867 where: short stacking energy: -896.589 Base-Backbone interact. energy: -1.837 local terms energy: -875.226231 where: bonds (distance) C4'-P energy: -156.840 bonds (distance) P-C4' energy: -156.792 flat angles C4'-P-C4' energy: -181.188 flat angles P-C4'-P energy: -133.340 tors. eta vs tors. theta energy: -247.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2936.016432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.016432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.016432 (E_RNA) where: Base-Base interactions energy: -2111.383 where: short stacking energy: -846.467 Base-Backbone interact. energy: -3.768 local terms energy: -820.865492 where: bonds (distance) C4'-P energy: -139.135 bonds (distance) P-C4' energy: -154.652 flat angles C4'-P-C4' energy: -171.698 flat angles P-C4'-P energy: -124.961 tors. eta vs tors. theta energy: -230.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2852.314222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.314222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.314222 (E_RNA) where: Base-Base interactions energy: -2053.418 where: short stacking energy: -851.699 Base-Backbone interact. energy: -5.325 local terms energy: -793.570543 where: bonds (distance) C4'-P energy: -142.003 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -107.570 tors. eta vs tors. theta energy: -220.006 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: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2780.817994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.817994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.817994 (E_RNA) where: Base-Base interactions energy: -2014.934 where: short stacking energy: -836.537 Base-Backbone interact. energy: 0.372 local terms energy: -766.255701 where: bonds (distance) C4'-P energy: -143.843 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -167.997 flat angles P-C4'-P energy: -105.220 tors. eta vs tors. theta energy: -198.245 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: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2580.480827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.480827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.480827 (E_RNA) where: Base-Base interactions energy: -1813.971 where: short stacking energy: -762.842 Base-Backbone interact. energy: -3.099 local terms energy: -763.410272 where: bonds (distance) C4'-P energy: -145.259 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -96.473 tors. eta vs tors. theta energy: -204.075 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: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2462.196068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.196068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.196068 (E_RNA) where: Base-Base interactions energy: -1776.070 where: short stacking energy: -760.581 Base-Backbone interact. energy: -0.920 local terms energy: -685.205347 where: bonds (distance) C4'-P energy: -116.567 bonds (distance) P-C4' energy: -128.396 flat angles C4'-P-C4' energy: -163.292 flat angles P-C4'-P energy: -85.550 tors. eta vs tors. theta energy: -191.401 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: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2195.485414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.485414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.485414 (E_RNA) where: Base-Base interactions energy: -1525.043 where: short stacking energy: -671.088 Base-Backbone interact. energy: -3.789 local terms energy: -666.653692 where: bonds (distance) C4'-P energy: -117.041 bonds (distance) P-C4' energy: -156.140 flat angles C4'-P-C4' energy: -160.660 flat angles P-C4'-P energy: -79.991 tors. eta vs tors. theta energy: -152.821 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: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2112.695952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.695952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.695952 (E_RNA) where: Base-Base interactions energy: -1462.852 where: short stacking energy: -630.132 Base-Backbone interact. energy: 0.371 local terms energy: -650.215401 where: bonds (distance) C4'-P energy: -134.310 bonds (distance) P-C4' energy: -146.690 flat angles C4'-P-C4' energy: -137.206 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -135.126 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: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1837.209476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.209476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.209476 (E_RNA) where: Base-Base interactions energy: -1260.435 where: short stacking energy: -575.243 Base-Backbone interact. energy: -0.479 local terms energy: -576.295897 where: bonds (distance) C4'-P energy: -137.595 bonds (distance) P-C4' energy: -128.168 flat angles C4'-P-C4' energy: -117.950 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -118.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1389.776058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.776058 (E_RNA) where: Base-Base interactions energy: -899.479 where: short stacking energy: -414.029 Base-Backbone interact. energy: -5.198 local terms energy: -485.098870 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -129.187 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -68.330 tors. eta vs tors. theta energy: -34.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3040.400626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.400626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.400626 (E_RNA) where: Base-Base interactions energy: -2161.866 where: short stacking energy: -935.317 Base-Backbone interact. energy: -4.045 local terms energy: -874.490380 where: bonds (distance) C4'-P energy: -160.684 bonds (distance) P-C4' energy: -160.966 flat angles C4'-P-C4' energy: -178.719 flat angles P-C4'-P energy: -120.777 tors. eta vs tors. theta energy: -253.344 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: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2905.144682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.144682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.144682 (E_RNA) where: Base-Base interactions energy: -2063.909 where: short stacking energy: -856.326 Base-Backbone interact. energy: -4.323 local terms energy: -836.912285 where: bonds (distance) C4'-P energy: -156.834 bonds (distance) P-C4' energy: -157.148 flat angles C4'-P-C4' energy: -181.532 flat angles P-C4'-P energy: -109.247 tors. eta vs tors. theta energy: -232.151 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: 358 Temperature: 1.000000 Total energy: -2875.077251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.077251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.077251 (E_RNA) where: Base-Base interactions energy: -2051.936 where: short stacking energy: -840.363 Base-Backbone interact. energy: -2.757 local terms energy: -820.383491 where: bonds (distance) C4'-P energy: -146.270 bonds (distance) P-C4' energy: -148.403 flat angles C4'-P-C4' energy: -183.388 flat angles P-C4'-P energy: -113.121 tors. eta vs tors. theta energy: -229.201 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: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2754.003315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.003315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.003315 (E_RNA) where: Base-Base interactions energy: -1972.544 where: short stacking energy: -774.503 Base-Backbone interact. energy: -1.042 local terms energy: -780.417187 where: bonds (distance) C4'-P energy: -145.428 bonds (distance) P-C4' energy: -155.315 flat angles C4'-P-C4' energy: -165.231 flat angles P-C4'-P energy: -115.203 tors. eta vs tors. theta energy: -199.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2581.112156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.112156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.112156 (E_RNA) where: Base-Base interactions energy: -1842.865 where: short stacking energy: -775.443 Base-Backbone interact. energy: -3.753 local terms energy: -734.494108 where: bonds (distance) C4'-P energy: -136.914 bonds (distance) P-C4' energy: -144.594 flat angles C4'-P-C4' energy: -148.079 flat angles P-C4'-P energy: -106.273 tors. eta vs tors. theta energy: -198.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2474.179231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.179231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.179231 (E_RNA) where: Base-Base interactions energy: -1771.234 where: short stacking energy: -741.180 Base-Backbone interact. energy: 5.529 local terms energy: -708.474745 where: bonds (distance) C4'-P energy: -119.640 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -158.727 flat angles P-C4'-P energy: -116.556 tors. eta vs tors. theta energy: -183.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2187.316871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.316871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.316871 (E_RNA) where: Base-Base interactions energy: -1502.878 where: short stacking energy: -640.772 Base-Backbone interact. energy: -0.235 local terms energy: -684.204055 where: bonds (distance) C4'-P energy: -130.636 bonds (distance) P-C4' energy: -138.675 flat angles C4'-P-C4' energy: -160.358 flat angles P-C4'-P energy: -93.025 tors. eta vs tors. theta energy: -161.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2193.650809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.650809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.650809 (E_RNA) where: Base-Base interactions energy: -1523.863 where: short stacking energy: -633.608 Base-Backbone interact. energy: -0.807 local terms energy: -668.980576 where: bonds (distance) C4'-P energy: -141.000 bonds (distance) P-C4' energy: -125.567 flat angles C4'-P-C4' energy: -156.937 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -153.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1784.274728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.274728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.274728 (E_RNA) where: Base-Base interactions energy: -1224.116 where: short stacking energy: -532.370 Base-Backbone interact. energy: -1.983 local terms energy: -558.176612 where: bonds (distance) C4'-P energy: -116.193 bonds (distance) P-C4' energy: -132.547 flat angles C4'-P-C4' energy: -128.379 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -98.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1429.583768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.583768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.583768 (E_RNA) where: Base-Base interactions energy: -894.174 where: short stacking energy: -400.405 Base-Backbone interact. energy: -3.592 local terms energy: -531.818068 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -141.674 flat angles C4'-P-C4' energy: -143.145 flat angles P-C4'-P energy: -57.011 tors. eta vs tors. theta energy: -63.772 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3005.236933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.236933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.236933 (E_RNA) where: Base-Base interactions energy: -2141.809 where: short stacking energy: -906.620 Base-Backbone interact. energy: -4.723 local terms energy: -858.704723 where: bonds (distance) C4'-P energy: -145.940 bonds (distance) P-C4' energy: -159.961 flat angles C4'-P-C4' energy: -177.316 flat angles P-C4'-P energy: -129.933 tors. eta vs tors. theta energy: -245.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2938.000520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.000520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.000520 (E_RNA) where: Base-Base interactions energy: -2085.762 where: short stacking energy: -877.612 Base-Backbone interact. energy: -7.100 local terms energy: -845.139409 where: bonds (distance) C4'-P energy: -161.045 bonds (distance) P-C4' energy: -146.344 flat angles C4'-P-C4' energy: -173.078 flat angles P-C4'-P energy: -129.411 tors. eta vs tors. theta energy: -235.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2870.652932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.652932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.652932 (E_RNA) where: Base-Base interactions energy: -2081.164 where: short stacking energy: -836.780 Base-Backbone interact. energy: -3.755 local terms energy: -785.734238 where: bonds (distance) C4'-P energy: -129.301 bonds (distance) P-C4' energy: -156.780 flat angles C4'-P-C4' energy: -174.474 flat angles P-C4'-P energy: -110.419 tors. eta vs tors. theta energy: -214.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2762.960240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.960240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.960240 (E_RNA) where: Base-Base interactions energy: -1999.540 where: short stacking energy: -825.421 Base-Backbone interact. energy: -0.388 local terms energy: -763.032235 where: bonds (distance) C4'-P energy: -136.559 bonds (distance) P-C4' energy: -160.011 flat angles C4'-P-C4' energy: -167.207 flat angles P-C4'-P energy: -96.532 tors. eta vs tors. theta energy: -202.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2565.918577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.918577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.918577 (E_RNA) where: Base-Base interactions energy: -1835.621 where: short stacking energy: -755.512 Base-Backbone interact. energy: -5.177 local terms energy: -725.120314 where: bonds (distance) C4'-P energy: -139.102 bonds (distance) P-C4' energy: -136.404 flat angles C4'-P-C4' energy: -169.988 flat angles P-C4'-P energy: -88.996 tors. eta vs tors. theta energy: -190.630 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: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2431.759249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.759249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.759249 (E_RNA) where: Base-Base interactions energy: -1721.431 where: short stacking energy: -735.364 Base-Backbone interact. energy: -0.416 local terms energy: -709.912110 where: bonds (distance) C4'-P energy: -132.971 bonds (distance) P-C4' energy: -135.941 flat angles C4'-P-C4' energy: -154.269 flat angles P-C4'-P energy: -108.028 tors. eta vs tors. theta energy: -178.703 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: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2184.774106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.774106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.774106 (E_RNA) where: Base-Base interactions energy: -1534.212 where: short stacking energy: -654.051 Base-Backbone interact. energy: -4.191 local terms energy: -646.371309 where: bonds (distance) C4'-P energy: -128.513 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -146.559 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -159.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2202.652427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.652427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.652427 (E_RNA) where: Base-Base interactions energy: -1542.749 where: short stacking energy: -654.284 Base-Backbone interact. energy: 0.094 local terms energy: -659.996951 where: bonds (distance) C4'-P energy: -122.638 bonds (distance) P-C4' energy: -140.495 flat angles C4'-P-C4' energy: -144.740 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -146.291 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: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1826.733531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.733531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.733531 (E_RNA) where: Base-Base interactions energy: -1255.007 where: short stacking energy: -541.614 Base-Backbone interact. energy: 1.009 local terms energy: -572.735382 where: bonds (distance) C4'-P energy: -124.479 bonds (distance) P-C4' energy: -128.825 flat angles C4'-P-C4' energy: -138.941 flat angles P-C4'-P energy: -78.266 tors. eta vs tors. theta energy: -102.224 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: 1 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1430.583267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.583267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.583267 (E_RNA) where: Base-Base interactions energy: -944.224 where: short stacking energy: -421.084 Base-Backbone interact. energy: 0.600 local terms energy: -486.959015 where: bonds (distance) C4'-P energy: -115.749 bonds (distance) P-C4' energy: -116.779 flat angles C4'-P-C4' energy: -114.841 flat angles P-C4'-P energy: -85.792 tors. eta vs tors. theta energy: -53.799 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: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3057.607852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.607852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.607852 (E_RNA) where: Base-Base interactions energy: -2181.935 where: short stacking energy: -927.000 Base-Backbone interact. energy: -7.300 local terms energy: -868.373059 where: bonds (distance) C4'-P energy: -151.462 bonds (distance) P-C4' energy: -156.544 flat angles C4'-P-C4' energy: -186.550 flat angles P-C4'-P energy: -128.490 tors. eta vs tors. theta energy: -245.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2927.224239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.224239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.224239 (E_RNA) where: Base-Base interactions energy: -2081.945 where: short stacking energy: -872.052 Base-Backbone interact. energy: -5.451 local terms energy: -839.828597 where: bonds (distance) C4'-P energy: -157.412 bonds (distance) P-C4' energy: -154.468 flat angles C4'-P-C4' energy: -184.509 flat angles P-C4'-P energy: -115.454 tors. eta vs tors. theta energy: -227.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2857.378125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.378125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.378125 (E_RNA) where: Base-Base interactions energy: -2054.449 where: short stacking energy: -844.775 Base-Backbone interact. energy: -1.808 local terms energy: -801.121376 where: bonds (distance) C4'-P energy: -143.798 bonds (distance) P-C4' energy: -151.708 flat angles C4'-P-C4' energy: -167.640 flat angles P-C4'-P energy: -110.365 tors. eta vs tors. theta energy: -227.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2744.455693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.455693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.455693 (E_RNA) where: Base-Base interactions energy: -1978.242 where: short stacking energy: -812.372 Base-Backbone interact. energy: 4.713 local terms energy: -770.926463 where: bonds (distance) C4'-P energy: -156.487 bonds (distance) P-C4' energy: -143.711 flat angles C4'-P-C4' energy: -157.286 flat angles P-C4'-P energy: -106.770 tors. eta vs tors. theta energy: -206.672 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: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2591.308621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.308621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.308621 (E_RNA) where: Base-Base interactions energy: -1814.587 where: short stacking energy: -748.993 Base-Backbone interact. energy: -4.111 local terms energy: -772.610589 where: bonds (distance) C4'-P energy: -136.137 bonds (distance) P-C4' energy: -147.033 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -115.526 tors. eta vs tors. theta energy: -203.693 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: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2394.383543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.383543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.383543 (E_RNA) where: Base-Base interactions energy: -1679.423 where: short stacking energy: -730.038 Base-Backbone interact. energy: 6.312 local terms energy: -721.271905 where: bonds (distance) C4'-P energy: -128.010 bonds (distance) P-C4' energy: -144.774 flat angles C4'-P-C4' energy: -145.365 flat angles P-C4'-P energy: -107.899 tors. eta vs tors. theta energy: -195.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2228.932544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.932544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.932544 (E_RNA) where: Base-Base interactions energy: -1532.046 where: short stacking energy: -658.901 Base-Backbone interact. energy: 0.737 local terms energy: -697.623809 where: bonds (distance) C4'-P energy: -141.756 bonds (distance) P-C4' energy: -151.278 flat angles C4'-P-C4' energy: -158.146 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -161.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2079.053323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.053323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.053323 (E_RNA) where: Base-Base interactions energy: -1472.298 where: short stacking energy: -628.922 Base-Backbone interact. energy: 2.772 local terms energy: -609.526913 where: bonds (distance) C4'-P energy: -133.421 bonds (distance) P-C4' energy: -141.974 flat angles C4'-P-C4' energy: -123.758 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -124.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1877.610257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.610257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.610257 (E_RNA) where: Base-Base interactions energy: -1274.636 where: short stacking energy: -550.536 Base-Backbone interact. energy: -1.087 local terms energy: -601.888035 where: bonds (distance) C4'-P energy: -125.512 bonds (distance) P-C4' energy: -139.473 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -68.817 tors. eta vs tors. theta energy: -122.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1423.956463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.956463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.956463 (E_RNA) where: Base-Base interactions energy: -900.821 where: short stacking energy: -436.840 Base-Backbone interact. energy: -0.236 local terms energy: -522.899572 where: bonds (distance) C4'-P energy: -114.885 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -138.201 flat angles P-C4'-P energy: -83.220 tors. eta vs tors. theta energy: -50.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3030.792255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.792255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.792255 (E_RNA) where: Base-Base interactions energy: -2138.385 where: short stacking energy: -915.653 Base-Backbone interact. energy: -6.500 local terms energy: -885.907398 where: bonds (distance) C4'-P energy: -152.502 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -191.619 flat angles P-C4'-P energy: -129.033 tors. eta vs tors. theta energy: -253.118 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: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2922.276759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.276759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.276759 (E_RNA) where: Base-Base interactions energy: -2057.641 where: short stacking energy: -861.336 Base-Backbone interact. energy: -6.307 local terms energy: -858.329400 where: bonds (distance) C4'-P energy: -159.671 bonds (distance) P-C4' energy: -158.705 flat angles C4'-P-C4' energy: -185.301 flat angles P-C4'-P energy: -130.420 tors. eta vs tors. theta energy: -224.233 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: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2871.905730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.905730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.905730 (E_RNA) where: Base-Base interactions energy: -2051.368 where: short stacking energy: -850.037 Base-Backbone interact. energy: -0.571 local terms energy: -819.966909 where: bonds (distance) C4'-P energy: -155.625 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -175.750 flat angles P-C4'-P energy: -113.832 tors. eta vs tors. theta energy: -229.780 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: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2754.094367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.094367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.094367 (E_RNA) where: Base-Base interactions energy: -2002.989 where: short stacking energy: -795.085 Base-Backbone interact. energy: -1.848 local terms energy: -749.256899 where: bonds (distance) C4'-P energy: -136.406 bonds (distance) P-C4' energy: -156.740 flat angles C4'-P-C4' energy: -168.276 flat angles P-C4'-P energy: -104.235 tors. eta vs tors. theta energy: -183.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2579.921293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.921293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.921293 (E_RNA) where: Base-Base interactions energy: -1808.262 where: short stacking energy: -779.982 Base-Backbone interact. energy: -0.883 local terms energy: -770.775899 where: bonds (distance) C4'-P energy: -144.235 bonds (distance) P-C4' energy: -156.818 flat angles C4'-P-C4' energy: -167.459 flat angles P-C4'-P energy: -100.831 tors. eta vs tors. theta energy: -201.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2373.358757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.358757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.358757 (E_RNA) where: Base-Base interactions energy: -1676.380 where: short stacking energy: -702.617 Base-Backbone interact. energy: -5.049 local terms energy: -691.929455 where: bonds (distance) C4'-P energy: -123.059 bonds (distance) P-C4' energy: -134.113 flat angles C4'-P-C4' energy: -158.003 flat angles P-C4'-P energy: -107.249 tors. eta vs tors. theta energy: -169.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2234.517740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.517740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.517740 (E_RNA) where: Base-Base interactions energy: -1535.839 where: short stacking energy: -660.891 Base-Backbone interact. energy: 1.835 local terms energy: -700.513436 where: bonds (distance) C4'-P energy: -134.755 bonds (distance) P-C4' energy: -145.883 flat angles C4'-P-C4' energy: -154.574 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -173.473 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: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2111.676688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.676688 (E_RNA) where: Base-Base interactions energy: -1445.573 where: short stacking energy: -598.156 Base-Backbone interact. energy: -1.366 local terms energy: -664.737758 where: bonds (distance) C4'-P energy: -125.501 bonds (distance) P-C4' energy: -136.597 flat angles C4'-P-C4' energy: -158.530 flat angles P-C4'-P energy: -86.968 tors. eta vs tors. theta energy: -157.141 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: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1847.365846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.365846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.365846 (E_RNA) where: Base-Base interactions energy: -1298.339 where: short stacking energy: -562.890 Base-Backbone interact. energy: 4.909 local terms energy: -553.935345 where: bonds (distance) C4'-P energy: -113.927 bonds (distance) P-C4' energy: -105.886 flat angles C4'-P-C4' energy: -121.889 flat angles P-C4'-P energy: -89.713 tors. eta vs tors. theta energy: -122.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1462.456570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.456570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.456570 (E_RNA) where: Base-Base interactions energy: -974.020 where: short stacking energy: -440.436 Base-Backbone interact. energy: 5.341 local terms energy: -493.776952 where: bonds (distance) C4'-P energy: -85.547 bonds (distance) P-C4' energy: -153.195 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -73.147 tors. eta vs tors. theta energy: -58.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3051.840996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.840996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.840996 (E_RNA) where: Base-Base interactions energy: -2161.697 where: short stacking energy: -930.828 Base-Backbone interact. energy: -1.424 local terms energy: -888.719582 where: bonds (distance) C4'-P energy: -157.643 bonds (distance) P-C4' energy: -156.110 flat angles C4'-P-C4' energy: -188.947 flat angles P-C4'-P energy: -132.207 tors. eta vs tors. theta energy: -253.812 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: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2897.152924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.152924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.152924 (E_RNA) where: Base-Base interactions energy: -2039.201 where: short stacking energy: -881.258 Base-Backbone interact. energy: -0.484 local terms energy: -857.467625 where: bonds (distance) C4'-P energy: -160.031 bonds (distance) P-C4' energy: -149.361 flat angles C4'-P-C4' energy: -176.897 flat angles P-C4'-P energy: -131.033 tors. eta vs tors. theta energy: -240.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2834.097092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.097092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.097092 (E_RNA) where: Base-Base interactions energy: -2038.260 where: short stacking energy: -842.720 Base-Backbone interact. energy: -2.082 local terms energy: -793.755037 where: bonds (distance) C4'-P energy: -140.192 bonds (distance) P-C4' energy: -163.066 flat angles C4'-P-C4' energy: -155.701 flat angles P-C4'-P energy: -106.709 tors. eta vs tors. theta energy: -228.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2782.927189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.927189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.927189 (E_RNA) where: Base-Base interactions energy: -1993.726 where: short stacking energy: -815.336 Base-Backbone interact. energy: -1.848 local terms energy: -787.353330 where: bonds (distance) C4'-P energy: -144.951 bonds (distance) P-C4' energy: -144.396 flat angles C4'-P-C4' energy: -163.890 flat angles P-C4'-P energy: -125.453 tors. eta vs tors. theta energy: -208.663 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2551.494638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.494638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.494638 (E_RNA) where: Base-Base interactions energy: -1775.374 where: short stacking energy: -756.650 Base-Backbone interact. energy: -5.160 local terms energy: -770.960280 where: bonds (distance) C4'-P energy: -144.911 bonds (distance) P-C4' energy: -154.417 flat angles C4'-P-C4' energy: -169.354 flat angles P-C4'-P energy: -101.274 tors. eta vs tors. theta energy: -201.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2387.714895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.714895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.714895 (E_RNA) where: Base-Base interactions energy: -1715.610 where: short stacking energy: -697.163 Base-Backbone interact. energy: 1.385 local terms energy: -673.490636 where: bonds (distance) C4'-P energy: -122.924 bonds (distance) P-C4' energy: -129.223 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -99.343 tors. eta vs tors. theta energy: -172.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2292.012301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.012301 (E_RNA) where: Base-Base interactions energy: -1562.874 where: short stacking energy: -681.795 Base-Backbone interact. energy: 3.750 local terms energy: -732.888854 where: bonds (distance) C4'-P energy: -115.975 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -183.534 flat angles P-C4'-P energy: -119.670 tors. eta vs tors. theta energy: -165.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2042.266166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.266166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.266166 (E_RNA) where: Base-Base interactions energy: -1442.117 where: short stacking energy: -607.696 Base-Backbone interact. energy: -3.200 local terms energy: -596.948920 where: bonds (distance) C4'-P energy: -112.187 bonds (distance) P-C4' energy: -135.255 flat angles C4'-P-C4' energy: -125.214 flat angles P-C4'-P energy: -89.133 tors. eta vs tors. theta energy: -135.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1941.152040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.152040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.152040 (E_RNA) where: Base-Base interactions energy: -1352.657 where: short stacking energy: -567.781 Base-Backbone interact. energy: 5.502 local terms energy: -593.997206 where: bonds (distance) C4'-P energy: -129.128 bonds (distance) P-C4' energy: -142.990 flat angles C4'-P-C4' energy: -132.994 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -119.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1457.986592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.986592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.986592 (E_RNA) where: Base-Base interactions energy: -962.933 where: short stacking energy: -433.557 Base-Backbone interact. energy: 4.350 local terms energy: -499.403664 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -130.787 flat angles P-C4'-P energy: -64.637 tors. eta vs tors. theta energy: -69.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3018.291296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.291296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.291296 (E_RNA) where: Base-Base interactions energy: -2141.991 where: short stacking energy: -935.499 Base-Backbone interact. energy: -0.777 local terms energy: -875.523231 where: bonds (distance) C4'-P energy: -148.666 bonds (distance) P-C4' energy: -176.732 flat angles C4'-P-C4' energy: -188.773 flat angles P-C4'-P energy: -110.155 tors. eta vs tors. theta energy: -251.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2940.599023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.599023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.599023 (E_RNA) where: Base-Base interactions energy: -2094.280 where: short stacking energy: -891.987 Base-Backbone interact. energy: 0.689 local terms energy: -847.008370 where: bonds (distance) C4'-P energy: -156.643 bonds (distance) P-C4' energy: -162.808 flat angles C4'-P-C4' energy: -189.978 flat angles P-C4'-P energy: -109.773 tors. eta vs tors. theta energy: -227.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2906.817519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.817519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.817519 (E_RNA) where: Base-Base interactions energy: -2065.104 where: short stacking energy: -851.647 Base-Backbone interact. energy: -3.231 local terms energy: -838.482175 where: bonds (distance) C4'-P energy: -149.252 bonds (distance) P-C4' energy: -147.925 flat angles C4'-P-C4' energy: -171.748 flat angles P-C4'-P energy: -133.466 tors. eta vs tors. theta energy: -236.092 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: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2725.860223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.860223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.860223 (E_RNA) where: Base-Base interactions energy: -1955.190 where: short stacking energy: -793.624 Base-Backbone interact. energy: 0.845 local terms energy: -771.515257 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -146.984 flat angles C4'-P-C4' energy: -173.041 flat angles P-C4'-P energy: -102.006 tors. eta vs tors. theta energy: -200.741 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2558.224537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.224537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.224537 (E_RNA) where: Base-Base interactions energy: -1799.184 where: short stacking energy: -784.140 Base-Backbone interact. energy: -1.766 local terms energy: -757.274447 where: bonds (distance) C4'-P energy: -134.833 bonds (distance) P-C4' energy: -149.400 flat angles C4'-P-C4' energy: -159.602 flat angles P-C4'-P energy: -107.060 tors. eta vs tors. theta energy: -206.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2454.128506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.128506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.128506 (E_RNA) where: Base-Base interactions energy: -1734.225 where: short stacking energy: -716.494 Base-Backbone interact. energy: -0.954 local terms energy: -718.949653 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -158.304 flat angles P-C4'-P energy: -109.221 tors. eta vs tors. theta energy: -163.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2260.155472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.155472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.155472 (E_RNA) where: Base-Base interactions energy: -1549.070 where: short stacking energy: -690.768 Base-Backbone interact. energy: -1.728 local terms energy: -709.358234 where: bonds (distance) C4'-P energy: -110.350 bonds (distance) P-C4' energy: -146.869 flat angles C4'-P-C4' energy: -173.922 flat angles P-C4'-P energy: -96.798 tors. eta vs tors. theta energy: -181.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2105.456130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.456130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.456130 (E_RNA) where: Base-Base interactions energy: -1447.491 where: short stacking energy: -617.246 Base-Backbone interact. energy: -5.545 local terms energy: -652.420604 where: bonds (distance) C4'-P energy: -129.686 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -146.136 flat angles P-C4'-P energy: -94.964 tors. eta vs tors. theta energy: -150.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1895.787698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.787698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.787698 (E_RNA) where: Base-Base interactions energy: -1310.324 where: short stacking energy: -543.515 Base-Backbone interact. energy: -1.205 local terms energy: -584.259114 where: bonds (distance) C4'-P energy: -110.709 bonds (distance) P-C4' energy: -135.636 flat angles C4'-P-C4' energy: -138.688 flat angles P-C4'-P energy: -83.804 tors. eta vs tors. theta energy: -115.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1476.675238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.675238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.675238 (E_RNA) where: Base-Base interactions energy: -929.588 where: short stacking energy: -434.742 Base-Backbone interact. energy: -2.072 local terms energy: -545.015131 where: bonds (distance) C4'-P energy: -120.651 bonds (distance) P-C4' energy: -129.050 flat angles C4'-P-C4' energy: -136.733 flat angles P-C4'-P energy: -90.129 tors. eta vs tors. theta energy: -68.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3010.779250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.779250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.779250 (E_RNA) where: Base-Base interactions energy: -2147.077 where: short stacking energy: -929.262 Base-Backbone interact. energy: -0.815 local terms energy: -862.886907 where: bonds (distance) C4'-P energy: -150.200 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -190.855 flat angles P-C4'-P energy: -110.081 tors. eta vs tors. theta energy: -251.372 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: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2939.250475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.250475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.250475 (E_RNA) where: Base-Base interactions energy: -2086.730 where: short stacking energy: -883.863 Base-Backbone interact. energy: -2.409 local terms energy: -850.111457 where: bonds (distance) C4'-P energy: -166.728 bonds (distance) P-C4' energy: -159.153 flat angles C4'-P-C4' energy: -180.811 flat angles P-C4'-P energy: -111.901 tors. eta vs tors. theta energy: -231.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2849.942058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.942058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.942058 (E_RNA) where: Base-Base interactions energy: -2017.666 where: short stacking energy: -843.197 Base-Backbone interact. energy: 1.369 local terms energy: -833.645133 where: bonds (distance) C4'-P energy: -151.485 bonds (distance) P-C4' energy: -156.758 flat angles C4'-P-C4' energy: -185.681 flat angles P-C4'-P energy: -105.317 tors. eta vs tors. theta energy: -234.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2730.000195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.000195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.000195 (E_RNA) where: Base-Base interactions energy: -1949.236 where: short stacking energy: -788.359 Base-Backbone interact. energy: -2.661 local terms energy: -778.103948 where: bonds (distance) C4'-P energy: -139.835 bonds (distance) P-C4' energy: -137.621 flat angles C4'-P-C4' energy: -163.373 flat angles P-C4'-P energy: -122.413 tors. eta vs tors. theta energy: -214.862 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: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2558.195168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.195168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.195168 (E_RNA) where: Base-Base interactions energy: -1769.571 where: short stacking energy: -737.465 Base-Backbone interact. energy: -1.815 local terms energy: -786.808595 where: bonds (distance) C4'-P energy: -156.349 bonds (distance) P-C4' energy: -150.885 flat angles C4'-P-C4' energy: -168.656 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -193.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2434.385368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.385368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.385368 (E_RNA) where: Base-Base interactions energy: -1741.980 where: short stacking energy: -689.480 Base-Backbone interact. energy: -3.068 local terms energy: -689.338029 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -127.945 flat angles C4'-P-C4' energy: -155.209 flat angles P-C4'-P energy: -116.109 tors. eta vs tors. theta energy: -162.983 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: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2265.177299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.177299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.177299 (E_RNA) where: Base-Base interactions energy: -1569.558 where: short stacking energy: -658.383 Base-Backbone interact. energy: 4.009 local terms energy: -699.628956 where: bonds (distance) C4'-P energy: -141.462 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -158.090 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -172.192 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: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2079.768922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.768922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.768922 (E_RNA) where: Base-Base interactions energy: -1445.106 where: short stacking energy: -609.745 Base-Backbone interact. energy: -2.163 local terms energy: -632.499712 where: bonds (distance) C4'-P energy: -115.804 bonds (distance) P-C4' energy: -153.922 flat angles C4'-P-C4' energy: -143.742 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -143.518 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: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1833.407474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.407474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.407474 (E_RNA) where: Base-Base interactions energy: -1272.981 where: short stacking energy: -559.370 Base-Backbone interact. energy: -2.703 local terms energy: -557.723118 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -128.651 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -96.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1495.624564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.624564 (E_RNA) where: Base-Base interactions energy: -985.404 where: short stacking energy: -438.094 Base-Backbone interact. energy: 0.205 local terms energy: -510.425726 where: bonds (distance) C4'-P energy: -121.562 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -117.482 flat angles P-C4'-P energy: -80.821 tors. eta vs tors. theta energy: -63.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3047.616581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.616581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.616581 (E_RNA) where: Base-Base interactions energy: -2152.625 where: short stacking energy: -918.744 Base-Backbone interact. energy: -4.504 local terms energy: -890.487729 where: bonds (distance) C4'-P energy: -155.813 bonds (distance) P-C4' energy: -168.240 flat angles C4'-P-C4' energy: -187.659 flat angles P-C4'-P energy: -129.470 tors. eta vs tors. theta energy: -249.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2960.812686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.812686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.812686 (E_RNA) where: Base-Base interactions energy: -2099.352 where: short stacking energy: -898.554 Base-Backbone interact. energy: -2.942 local terms energy: -858.518794 where: bonds (distance) C4'-P energy: -168.935 bonds (distance) P-C4' energy: -140.490 flat angles C4'-P-C4' energy: -184.402 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -241.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2857.161979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.161979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.161979 (E_RNA) where: Base-Base interactions energy: -2026.670 where: short stacking energy: -821.176 Base-Backbone interact. energy: -6.315 local terms energy: -824.177004 where: bonds (distance) C4'-P energy: -156.893 bonds (distance) P-C4' energy: -150.942 flat angles C4'-P-C4' energy: -182.301 flat angles P-C4'-P energy: -108.756 tors. eta vs tors. theta energy: -225.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2767.662919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.662919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.662919 (E_RNA) where: Base-Base interactions energy: -2017.572 where: short stacking energy: -819.282 Base-Backbone interact. energy: 3.815 local terms energy: -753.905719 where: bonds (distance) C4'-P energy: -121.884 bonds (distance) P-C4' energy: -123.548 flat angles C4'-P-C4' energy: -177.384 flat angles P-C4'-P energy: -120.470 tors. eta vs tors. theta energy: -210.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2575.046473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.046473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.046473 (E_RNA) where: Base-Base interactions energy: -1831.844 where: short stacking energy: -767.003 Base-Backbone interact. energy: -2.386 local terms energy: -740.816718 where: bonds (distance) C4'-P energy: -121.402 bonds (distance) P-C4' energy: -148.762 flat angles C4'-P-C4' energy: -167.907 flat angles P-C4'-P energy: -113.485 tors. eta vs tors. theta energy: -189.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2430.994248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.994248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.994248 (E_RNA) where: Base-Base interactions energy: -1708.392 where: short stacking energy: -690.221 Base-Backbone interact. energy: -4.285 local terms energy: -718.316767 where: bonds (distance) C4'-P energy: -133.725 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -148.094 flat angles P-C4'-P energy: -116.560 tors. eta vs tors. theta energy: -168.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2292.706853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.706853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.706853 (E_RNA) where: Base-Base interactions energy: -1604.074 where: short stacking energy: -713.996 Base-Backbone interact. energy: -4.841 local terms energy: -683.791802 where: bonds (distance) C4'-P energy: -102.904 bonds (distance) P-C4' energy: -120.934 flat angles C4'-P-C4' energy: -155.030 flat angles P-C4'-P energy: -113.553 tors. eta vs tors. theta energy: -191.371 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: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2101.979648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.979648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.979648 (E_RNA) where: Base-Base interactions energy: -1454.490 where: short stacking energy: -624.216 Base-Backbone interact. energy: -3.218 local terms energy: -644.271266 where: bonds (distance) C4'-P energy: -122.246 bonds (distance) P-C4' energy: -136.952 flat angles C4'-P-C4' energy: -149.530 flat angles P-C4'-P energy: -76.007 tors. eta vs tors. theta energy: -159.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1886.926025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.926025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.926025 (E_RNA) where: Base-Base interactions energy: -1300.296 where: short stacking energy: -555.752 Base-Backbone interact. energy: -1.944 local terms energy: -584.685749 where: bonds (distance) C4'-P energy: -106.812 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -89.287 tors. eta vs tors. theta energy: -107.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1422.477616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.477616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.477616 (E_RNA) where: Base-Base interactions energy: -931.196 where: short stacking energy: -448.608 Base-Backbone interact. energy: 1.215 local terms energy: -492.495993 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -124.375 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -69.132 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: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3033.737997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.737997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.737997 (E_RNA) where: Base-Base interactions energy: -2167.842 where: short stacking energy: -911.459 Base-Backbone interact. energy: -2.804 local terms energy: -863.091585 where: bonds (distance) C4'-P energy: -141.024 bonds (distance) P-C4' energy: -169.601 flat angles C4'-P-C4' energy: -184.178 flat angles P-C4'-P energy: -116.697 tors. eta vs tors. theta energy: -251.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2930.128726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.128726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.128726 (E_RNA) where: Base-Base interactions energy: -2069.517 where: short stacking energy: -872.412 Base-Backbone interact. energy: -2.027 local terms energy: -858.585289 where: bonds (distance) C4'-P energy: -163.239 bonds (distance) P-C4' energy: -145.397 flat angles C4'-P-C4' energy: -192.918 flat angles P-C4'-P energy: -120.074 tors. eta vs tors. theta energy: -236.958 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: 3, replica: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2830.454804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.454804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.454804 (E_RNA) where: Base-Base interactions energy: -2014.247 where: short stacking energy: -854.101 Base-Backbone interact. energy: -3.159 local terms energy: -813.048167 where: bonds (distance) C4'-P energy: -149.881 bonds (distance) P-C4' energy: -141.048 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -113.843 tors. eta vs tors. theta energy: -232.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2787.781373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.781373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.781373 (E_RNA) where: Base-Base interactions energy: -1978.496 where: short stacking energy: -804.414 Base-Backbone interact. energy: -5.752 local terms energy: -803.533353 where: bonds (distance) C4'-P energy: -134.542 bonds (distance) P-C4' energy: -169.533 flat angles C4'-P-C4' energy: -162.466 flat angles P-C4'-P energy: -126.709 tors. eta vs tors. theta energy: -210.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2599.788611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.788611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.788611 (E_RNA) where: Base-Base interactions energy: -1848.282 where: short stacking energy: -760.766 Base-Backbone interact. energy: -2.772 local terms energy: -748.735009 where: bonds (distance) C4'-P energy: -133.845 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -165.595 flat angles P-C4'-P energy: -122.576 tors. eta vs tors. theta energy: -188.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2462.808666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.808666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.808666 (E_RNA) where: Base-Base interactions energy: -1762.697 where: short stacking energy: -730.511 Base-Backbone interact. energy: -1.689 local terms energy: -698.422312 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -131.331 flat angles C4'-P-C4' energy: -160.699 flat angles P-C4'-P energy: -113.218 tors. eta vs tors. theta energy: -177.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2314.912953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.912953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.912953 (E_RNA) where: Base-Base interactions energy: -1623.453 where: short stacking energy: -693.899 Base-Backbone interact. energy: -0.772 local terms energy: -690.687857 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -133.462 flat angles C4'-P-C4' energy: -164.346 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -182.014 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: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2119.471962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.471962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.471962 (E_RNA) where: Base-Base interactions energy: -1484.192 where: short stacking energy: -637.309 Base-Backbone interact. energy: 0.814 local terms energy: -636.093765 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -151.694 flat angles C4'-P-C4' energy: -143.275 flat angles P-C4'-P energy: -76.579 tors. eta vs tors. theta energy: -152.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1883.063359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.063359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.063359 (E_RNA) where: Base-Base interactions energy: -1283.561 where: short stacking energy: -573.163 Base-Backbone interact. energy: -3.109 local terms energy: -596.393233 where: bonds (distance) C4'-P energy: -120.590 bonds (distance) P-C4' energy: -131.286 flat angles C4'-P-C4' energy: -134.557 flat angles P-C4'-P energy: -84.773 tors. eta vs tors. theta energy: -125.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1352.688165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.688165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.688165 (E_RNA) where: Base-Base interactions energy: -833.475 where: short stacking energy: -396.285 Base-Backbone interact. energy: -1.539 local terms energy: -517.674750 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -122.077 flat angles P-C4'-P energy: -78.789 tors. eta vs tors. theta energy: -51.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3017.737119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.737119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.737119 (E_RNA) where: Base-Base interactions energy: -2136.238 where: short stacking energy: -889.741 Base-Backbone interact. energy: 1.069 local terms energy: -882.567530 where: bonds (distance) C4'-P energy: -176.855 bonds (distance) P-C4' energy: -162.947 flat angles C4'-P-C4' energy: -182.050 flat angles P-C4'-P energy: -118.485 tors. eta vs tors. theta energy: -242.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2920.663096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.663096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.663096 (E_RNA) where: Base-Base interactions energy: -2082.651 where: short stacking energy: -884.055 Base-Backbone interact. energy: 0.313 local terms energy: -838.324666 where: bonds (distance) C4'-P energy: -149.834 bonds (distance) P-C4' energy: -157.581 flat angles C4'-P-C4' energy: -170.303 flat angles P-C4'-P energy: -117.464 tors. eta vs tors. theta energy: -243.142 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2865.189918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.189918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.189918 (E_RNA) where: Base-Base interactions energy: -2036.234 where: short stacking energy: -852.423 Base-Backbone interact. energy: -3.077 local terms energy: -825.879092 where: bonds (distance) C4'-P energy: -158.253 bonds (distance) P-C4' energy: -148.384 flat angles C4'-P-C4' energy: -167.029 flat angles P-C4'-P energy: -121.329 tors. eta vs tors. theta energy: -230.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2779.019188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.019188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.019188 (E_RNA) where: Base-Base interactions energy: -2024.050 where: short stacking energy: -798.287 Base-Backbone interact. energy: -2.524 local terms energy: -752.445146 where: bonds (distance) C4'-P energy: -134.326 bonds (distance) P-C4' energy: -138.890 flat angles C4'-P-C4' energy: -171.184 flat angles P-C4'-P energy: -107.110 tors. eta vs tors. theta energy: -200.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2579.205286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.205286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.205286 (E_RNA) where: Base-Base interactions energy: -1838.234 where: short stacking energy: -800.522 Base-Backbone interact. energy: 0.205 local terms energy: -741.176551 where: bonds (distance) C4'-P energy: -126.447 bonds (distance) P-C4' energy: -144.952 flat angles C4'-P-C4' energy: -153.432 flat angles P-C4'-P energy: -99.151 tors. eta vs tors. theta energy: -217.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2452.637167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.637167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.637167 (E_RNA) where: Base-Base interactions energy: -1735.637 where: short stacking energy: -726.876 Base-Backbone interact. energy: -5.542 local terms energy: -711.457995 where: bonds (distance) C4'-P energy: -135.509 bonds (distance) P-C4' energy: -136.444 flat angles C4'-P-C4' energy: -152.684 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -177.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2317.325039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.325039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.325039 (E_RNA) where: Base-Base interactions energy: -1600.444 where: short stacking energy: -674.134 Base-Backbone interact. energy: -5.378 local terms energy: -711.503201 where: bonds (distance) C4'-P energy: -112.277 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -168.378 flat angles P-C4'-P energy: -99.088 tors. eta vs tors. theta energy: -182.807 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: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2084.794283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.794283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.794283 (E_RNA) where: Base-Base interactions energy: -1464.360 where: short stacking energy: -638.515 Base-Backbone interact. energy: -1.201 local terms energy: -619.233266 where: bonds (distance) C4'-P energy: -115.925 bonds (distance) P-C4' energy: -131.118 flat angles C4'-P-C4' energy: -146.133 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -157.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1901.584385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.584385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.584385 (E_RNA) where: Base-Base interactions energy: -1288.186 where: short stacking energy: -576.651 Base-Backbone interact. energy: -0.095 local terms energy: -613.303962 where: bonds (distance) C4'-P energy: -135.204 bonds (distance) P-C4' energy: -121.153 flat angles C4'-P-C4' energy: -136.831 flat angles P-C4'-P energy: -99.236 tors. eta vs tors. theta energy: -120.879 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: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1301.984549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.984549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.984549 (E_RNA) where: Base-Base interactions energy: -823.348 where: short stacking energy: -402.032 Base-Backbone interact. energy: -3.642 local terms energy: -474.994978 where: bonds (distance) C4'-P energy: -110.048 bonds (distance) P-C4' energy: -135.277 flat angles C4'-P-C4' energy: -112.887 flat angles P-C4'-P energy: -56.724 tors. eta vs tors. theta energy: -60.059 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: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3016.999941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.999941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.999941 (E_RNA) where: Base-Base interactions energy: -2129.637 where: short stacking energy: -906.902 Base-Backbone interact. energy: -1.845 local terms energy: -885.517859 where: bonds (distance) C4'-P energy: -168.953 bonds (distance) P-C4' energy: -158.238 flat angles C4'-P-C4' energy: -188.000 flat angles P-C4'-P energy: -130.636 tors. eta vs tors. theta energy: -239.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2938.079157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.079157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.079157 (E_RNA) where: Base-Base interactions energy: -2089.986 where: short stacking energy: -879.928 Base-Backbone interact. energy: 5.097 local terms energy: -853.189662 where: bonds (distance) C4'-P energy: -164.088 bonds (distance) P-C4' energy: -145.483 flat angles C4'-P-C4' energy: -181.567 flat angles P-C4'-P energy: -114.440 tors. eta vs tors. theta energy: -247.611 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: 368 Temperature: 1.000000 Total energy: -2863.424346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.424346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.424346 (E_RNA) where: Base-Base interactions energy: -2056.580 where: short stacking energy: -861.905 Base-Backbone interact. energy: -5.298 local terms energy: -801.546619 where: bonds (distance) C4'-P energy: -129.898 bonds (distance) P-C4' energy: -157.480 flat angles C4'-P-C4' energy: -168.471 flat angles P-C4'-P energy: -113.749 tors. eta vs tors. theta energy: -231.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2807.735600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.735600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.735600 (E_RNA) where: Base-Base interactions energy: -2026.149 where: short stacking energy: -826.395 Base-Backbone interact. energy: -2.294 local terms energy: -779.292508 where: bonds (distance) C4'-P energy: -144.396 bonds (distance) P-C4' energy: -150.776 flat angles C4'-P-C4' energy: -164.538 flat angles P-C4'-P energy: -105.080 tors. eta vs tors. theta energy: -214.503 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: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2530.012616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.012616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.012616 (E_RNA) where: Base-Base interactions energy: -1791.463 where: short stacking energy: -772.067 Base-Backbone interact. energy: -3.668 local terms energy: -734.881975 where: bonds (distance) C4'-P energy: -131.838 bonds (distance) P-C4' energy: -145.872 flat angles C4'-P-C4' energy: -170.586 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -182.274 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: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2494.744361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.744361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.744361 (E_RNA) where: Base-Base interactions energy: -1773.486 where: short stacking energy: -719.827 Base-Backbone interact. energy: 0.052 local terms energy: -721.310583 where: bonds (distance) C4'-P energy: -133.910 bonds (distance) P-C4' energy: -161.332 flat angles C4'-P-C4' energy: -166.864 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -170.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2310.420210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.420210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.420210 (E_RNA) where: Base-Base interactions energy: -1600.845 where: short stacking energy: -687.878 Base-Backbone interact. energy: -4.392 local terms energy: -705.183476 where: bonds (distance) C4'-P energy: -107.895 bonds (distance) P-C4' energy: -150.996 flat angles C4'-P-C4' energy: -151.716 flat angles P-C4'-P energy: -99.934 tors. eta vs tors. theta energy: -194.642 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: 368 Temperature: 1.250000 Total energy: -2137.487284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.487284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.487284 (E_RNA) where: Base-Base interactions energy: -1520.226 where: short stacking energy: -661.134 Base-Backbone interact. energy: 3.590 local terms energy: -620.850831 where: bonds (distance) C4'-P energy: -125.315 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -149.161 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -159.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1938.366456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.366456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.366456 (E_RNA) where: Base-Base interactions energy: -1364.744 where: short stacking energy: -578.937 Base-Backbone interact. energy: -0.099 local terms energy: -573.523814 where: bonds (distance) C4'-P energy: -116.797 bonds (distance) P-C4' energy: -129.576 flat angles C4'-P-C4' energy: -120.721 flat angles P-C4'-P energy: -81.044 tors. eta vs tors. theta energy: -125.385 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: 10, replica: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1225.181863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.181863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.181863 (E_RNA) where: Base-Base interactions energy: -751.379 where: short stacking energy: -365.185 Base-Backbone interact. energy: 1.116 local terms energy: -474.919013 where: bonds (distance) C4'-P energy: -140.843 bonds (distance) P-C4' energy: -122.891 flat angles C4'-P-C4' energy: -130.970 flat angles P-C4'-P energy: -57.356 tors. eta vs tors. theta energy: -22.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3015.003129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.003129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.003129 (E_RNA) where: Base-Base interactions energy: -2139.755 where: short stacking energy: -908.200 Base-Backbone interact. energy: -3.459 local terms energy: -871.788406 where: bonds (distance) C4'-P energy: -140.105 bonds (distance) P-C4' energy: -172.930 flat angles C4'-P-C4' energy: -182.941 flat angles P-C4'-P energy: -125.237 tors. eta vs tors. theta energy: -250.575 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: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2940.762989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.762989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.762989 (E_RNA) where: Base-Base interactions energy: -2084.199 where: short stacking energy: -863.734 Base-Backbone interact. energy: -1.522 local terms energy: -855.042075 where: bonds (distance) C4'-P energy: -162.860 bonds (distance) P-C4' energy: -164.623 flat angles C4'-P-C4' energy: -188.245 flat angles P-C4'-P energy: -113.709 tors. eta vs tors. theta energy: -225.605 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: 9 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2868.404683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.404683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.404683 (E_RNA) where: Base-Base interactions energy: -2053.864 where: short stacking energy: -861.557 Base-Backbone interact. energy: -1.692 local terms energy: -812.849122 where: bonds (distance) C4'-P energy: -142.138 bonds (distance) P-C4' energy: -147.225 flat angles C4'-P-C4' energy: -175.845 flat angles P-C4'-P energy: -107.678 tors. eta vs tors. theta energy: -239.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2800.516866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.516866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.516866 (E_RNA) where: Base-Base interactions energy: -1981.559 where: short stacking energy: -813.997 Base-Backbone interact. energy: -5.488 local terms energy: -813.469825 where: bonds (distance) C4'-P energy: -148.461 bonds (distance) P-C4' energy: -145.474 flat angles C4'-P-C4' energy: -183.596 flat angles P-C4'-P energy: -117.494 tors. eta vs tors. theta energy: -218.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2489.354213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.354213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.354213 (E_RNA) where: Base-Base interactions energy: -1768.480 where: short stacking energy: -712.692 Base-Backbone interact. energy: -4.197 local terms energy: -716.676915 where: bonds (distance) C4'-P energy: -118.503 bonds (distance) P-C4' energy: -141.762 flat angles C4'-P-C4' energy: -169.294 flat angles P-C4'-P energy: -109.714 tors. eta vs tors. theta energy: -177.402 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: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2435.018925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.018925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.018925 (E_RNA) where: Base-Base interactions energy: -1684.343 where: short stacking energy: -692.678 Base-Backbone interact. energy: -3.026 local terms energy: -747.649894 where: bonds (distance) C4'-P energy: -126.045 bonds (distance) P-C4' energy: -139.412 flat angles C4'-P-C4' energy: -163.183 flat angles P-C4'-P energy: -123.941 tors. eta vs tors. theta energy: -195.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2376.066682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.066682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.066682 (E_RNA) where: Base-Base interactions energy: -1649.838 where: short stacking energy: -663.444 Base-Backbone interact. energy: -1.395 local terms energy: -724.833364 where: bonds (distance) C4'-P energy: -139.553 bonds (distance) P-C4' energy: -154.631 flat angles C4'-P-C4' energy: -153.579 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -190.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2102.552660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.552660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.552660 (E_RNA) where: Base-Base interactions energy: -1462.851 where: short stacking energy: -628.376 Base-Backbone interact. energy: 1.777 local terms energy: -641.478494 where: bonds (distance) C4'-P energy: -103.357 bonds (distance) P-C4' energy: -149.790 flat angles C4'-P-C4' energy: -134.451 flat angles P-C4'-P energy: -105.269 tors. eta vs tors. theta energy: -148.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1902.366026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.366026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.366026 (E_RNA) where: Base-Base interactions energy: -1330.653 where: short stacking energy: -577.291 Base-Backbone interact. energy: -4.289 local terms energy: -567.423707 where: bonds (distance) C4'-P energy: -106.740 bonds (distance) P-C4' energy: -138.367 flat angles C4'-P-C4' energy: -136.800 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -122.841 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: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1294.626171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.626171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.626171 (E_RNA) where: Base-Base interactions energy: -801.900 where: short stacking energy: -420.996 Base-Backbone interact. energy: 0.748 local terms energy: -493.474481 where: bonds (distance) C4'-P energy: -131.308 bonds (distance) P-C4' energy: -121.265 flat angles C4'-P-C4' energy: -126.188 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: -55.849 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: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3025.896540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.896540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.896540 (E_RNA) where: Base-Base interactions energy: -2131.627 where: short stacking energy: -908.118 Base-Backbone interact. energy: -0.436 local terms energy: -893.832837 where: bonds (distance) C4'-P energy: -165.545 bonds (distance) P-C4' energy: -164.252 flat angles C4'-P-C4' energy: -195.554 flat angles P-C4'-P energy: -123.709 tors. eta vs tors. theta energy: -244.773 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2944.512223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.512223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.512223 (E_RNA) where: Base-Base interactions energy: -2082.939 where: short stacking energy: -879.039 Base-Backbone interact. energy: -1.901 local terms energy: -859.672194 where: bonds (distance) C4'-P energy: -148.240 bonds (distance) P-C4' energy: -144.377 flat angles C4'-P-C4' energy: -191.328 flat angles P-C4'-P energy: -127.897 tors. eta vs tors. theta energy: -247.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2856.298851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.298851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.298851 (E_RNA) where: Base-Base interactions energy: -2050.432 where: short stacking energy: -817.606 Base-Backbone interact. energy: -3.389 local terms energy: -802.478577 where: bonds (distance) C4'-P energy: -149.707 bonds (distance) P-C4' energy: -147.497 flat angles C4'-P-C4' energy: -163.084 flat angles P-C4'-P energy: -117.323 tors. eta vs tors. theta energy: -224.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2776.627197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.627197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.627197 (E_RNA) where: Base-Base interactions energy: -1996.564 where: short stacking energy: -791.124 Base-Backbone interact. energy: 5.503 local terms energy: -785.565904 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -169.645 flat angles C4'-P-C4' energy: -169.903 flat angles P-C4'-P energy: -90.847 tors. eta vs tors. theta energy: -209.211 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: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2557.005242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.005242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.005242 (E_RNA) where: Base-Base interactions energy: -1809.618 where: short stacking energy: -770.411 Base-Backbone interact. energy: -3.347 local terms energy: -744.040063 where: bonds (distance) C4'-P energy: -142.690 bonds (distance) P-C4' energy: -148.187 flat angles C4'-P-C4' energy: -153.241 flat angles P-C4'-P energy: -107.345 tors. eta vs tors. theta energy: -192.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2430.813789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.813789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.813789 (E_RNA) where: Base-Base interactions energy: -1696.549 where: short stacking energy: -718.517 Base-Backbone interact. energy: -3.551 local terms energy: -730.714223 where: bonds (distance) C4'-P energy: -139.754 bonds (distance) P-C4' energy: -134.930 flat angles C4'-P-C4' energy: -166.083 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -193.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2379.491274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.491274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.491274 (E_RNA) where: Base-Base interactions energy: -1634.452 where: short stacking energy: -694.466 Base-Backbone interact. energy: -4.074 local terms energy: -740.966044 where: bonds (distance) C4'-P energy: -139.230 bonds (distance) P-C4' energy: -155.553 flat angles C4'-P-C4' energy: -152.592 flat angles P-C4'-P energy: -98.178 tors. eta vs tors. theta energy: -195.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2113.876766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.876766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.876766 (E_RNA) where: Base-Base interactions energy: -1491.370 where: short stacking energy: -633.974 Base-Backbone interact. energy: -4.398 local terms energy: -618.108315 where: bonds (distance) C4'-P energy: -125.680 bonds (distance) P-C4' energy: -120.993 flat angles C4'-P-C4' energy: -138.873 flat angles P-C4'-P energy: -81.286 tors. eta vs tors. theta energy: -151.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1889.385614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.385614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.385614 (E_RNA) where: Base-Base interactions energy: -1314.175 where: short stacking energy: -586.466 Base-Backbone interact. energy: 0.135 local terms energy: -575.345556 where: bonds (distance) C4'-P energy: -131.646 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -138.788 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: -141.660 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: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1281.425682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.425682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.425682 (E_RNA) where: Base-Base interactions energy: -778.258 where: short stacking energy: -386.962 Base-Backbone interact. energy: -3.324 local terms energy: -499.843497 where: bonds (distance) C4'-P energy: -117.554 bonds (distance) P-C4' energy: -125.276 flat angles C4'-P-C4' energy: -110.670 flat angles P-C4'-P energy: -81.597 tors. eta vs tors. theta energy: -64.746 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: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3020.984823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.984823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.984823 (E_RNA) where: Base-Base interactions energy: -2130.079 where: short stacking energy: -920.808 Base-Backbone interact. energy: -2.940 local terms energy: -887.966620 where: bonds (distance) C4'-P energy: -159.707 bonds (distance) P-C4' energy: -152.725 flat angles C4'-P-C4' energy: -188.917 flat angles P-C4'-P energy: -125.311 tors. eta vs tors. theta energy: -261.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2926.880720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.880720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.880720 (E_RNA) where: Base-Base interactions energy: -2067.931 where: short stacking energy: -879.597 Base-Backbone interact. energy: -4.523 local terms energy: -854.427027 where: bonds (distance) C4'-P energy: -167.491 bonds (distance) P-C4' energy: -141.465 flat angles C4'-P-C4' energy: -175.518 flat angles P-C4'-P energy: -127.926 tors. eta vs tors. theta energy: -242.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2896.546481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.546481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.546481 (E_RNA) where: Base-Base interactions energy: -2079.924 where: short stacking energy: -879.930 Base-Backbone interact. energy: -1.398 local terms energy: -815.224701 where: bonds (distance) C4'-P energy: -138.829 bonds (distance) P-C4' energy: -142.453 flat angles C4'-P-C4' energy: -174.171 flat angles P-C4'-P energy: -120.420 tors. eta vs tors. theta energy: -239.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2763.077992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.077992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.077992 (E_RNA) where: Base-Base interactions energy: -1975.810 where: short stacking energy: -800.746 Base-Backbone interact. energy: -3.199 local terms energy: -784.069703 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -151.010 flat angles C4'-P-C4' energy: -180.144 flat angles P-C4'-P energy: -107.977 tors. eta vs tors. theta energy: -202.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2517.191698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.191698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.191698 (E_RNA) where: Base-Base interactions energy: -1761.433 where: short stacking energy: -753.783 Base-Backbone interact. energy: -2.705 local terms energy: -753.053254 where: bonds (distance) C4'-P energy: -137.691 bonds (distance) P-C4' energy: -155.346 flat angles C4'-P-C4' energy: -173.502 flat angles P-C4'-P energy: -107.874 tors. eta vs tors. theta energy: -178.641 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: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2423.695049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.695049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.695049 (E_RNA) where: Base-Base interactions energy: -1726.549 where: short stacking energy: -760.132 Base-Backbone interact. energy: -1.915 local terms energy: -695.231548 where: bonds (distance) C4'-P energy: -112.115 bonds (distance) P-C4' energy: -153.106 flat angles C4'-P-C4' energy: -150.328 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -186.053 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2398.405998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.405998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.405998 (E_RNA) where: Base-Base interactions energy: -1678.508 where: short stacking energy: -733.774 Base-Backbone interact. energy: -1.435 local terms energy: -718.463642 where: bonds (distance) C4'-P energy: -123.618 bonds (distance) P-C4' energy: -128.704 flat angles C4'-P-C4' energy: -155.221 flat angles P-C4'-P energy: -105.624 tors. eta vs tors. theta energy: -205.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2131.665827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.665827 (E_RNA) where: Base-Base interactions energy: -1517.056 where: short stacking energy: -665.274 Base-Backbone interact. energy: -1.509 local terms energy: -613.101679 where: bonds (distance) C4'-P energy: -113.082 bonds (distance) P-C4' energy: -125.142 flat angles C4'-P-C4' energy: -137.624 flat angles P-C4'-P energy: -74.902 tors. eta vs tors. theta energy: -162.352 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1917.154553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.154553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.154553 (E_RNA) where: Base-Base interactions energy: -1309.900 where: short stacking energy: -565.486 Base-Backbone interact. energy: 1.296 local terms energy: -608.550590 where: bonds (distance) C4'-P energy: -117.300 bonds (distance) P-C4' energy: -148.151 flat angles C4'-P-C4' energy: -131.117 flat angles P-C4'-P energy: -89.749 tors. eta vs tors. theta energy: -122.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1340.396174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.396174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.396174 (E_RNA) where: Base-Base interactions energy: -834.898 where: short stacking energy: -409.177 Base-Backbone interact. energy: 0.113 local terms energy: -505.611629 where: bonds (distance) C4'-P energy: -111.853 bonds (distance) P-C4' energy: -117.928 flat angles C4'-P-C4' energy: -132.782 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -63.682 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: 372 Temperature: 0.900000 Total energy: -3053.204424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.204424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.204424 (E_RNA) where: Base-Base interactions energy: -2166.306 where: short stacking energy: -954.205 Base-Backbone interact. energy: -4.564 local terms energy: -882.334644 where: bonds (distance) C4'-P energy: -158.238 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -185.532 flat angles P-C4'-P energy: -134.806 tors. eta vs tors. theta energy: -254.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2965.373258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.373258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.373258 (E_RNA) where: Base-Base interactions energy: -2092.205 where: short stacking energy: -888.014 Base-Backbone interact. energy: -4.001 local terms energy: -869.167775 where: bonds (distance) C4'-P energy: -154.718 bonds (distance) P-C4' energy: -148.790 flat angles C4'-P-C4' energy: -189.989 flat angles P-C4'-P energy: -127.007 tors. eta vs tors. theta energy: -248.664 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: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2887.959109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.959109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.959109 (E_RNA) where: Base-Base interactions energy: -2047.571 where: short stacking energy: -868.540 Base-Backbone interact. energy: -7.165 local terms energy: -833.223179 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -156.490 flat angles C4'-P-C4' energy: -178.246 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -240.412 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: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2817.122646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.122646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.122646 (E_RNA) where: Base-Base interactions energy: -2014.122 where: short stacking energy: -828.514 Base-Backbone interact. energy: -5.584 local terms energy: -797.416281 where: bonds (distance) C4'-P energy: -158.461 bonds (distance) P-C4' energy: -140.612 flat angles C4'-P-C4' energy: -165.861 flat angles P-C4'-P energy: -107.902 tors. eta vs tors. theta energy: -224.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2523.092226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.092226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.092226 (E_RNA) where: Base-Base interactions energy: -1780.212 where: short stacking energy: -744.578 Base-Backbone interact. energy: 0.294 local terms energy: -743.173639 where: bonds (distance) C4'-P energy: -133.769 bonds (distance) P-C4' energy: -137.786 flat angles C4'-P-C4' energy: -177.217 flat angles P-C4'-P energy: -106.926 tors. eta vs tors. theta energy: -187.476 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: 6, replica: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2406.877959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.877959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.877959 (E_RNA) where: Base-Base interactions energy: -1697.028 where: short stacking energy: -688.078 Base-Backbone interact. energy: 3.016 local terms energy: -712.865893 where: bonds (distance) C4'-P energy: -126.663 bonds (distance) P-C4' energy: -159.561 flat angles C4'-P-C4' energy: -162.262 flat angles P-C4'-P energy: -90.627 tors. eta vs tors. theta energy: -173.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2327.726763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.726763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.726763 (E_RNA) where: Base-Base interactions energy: -1664.679 where: short stacking energy: -720.055 Base-Backbone interact. energy: -3.373 local terms energy: -659.674773 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -139.230 flat angles C4'-P-C4' energy: -149.756 flat angles P-C4'-P energy: -74.805 tors. eta vs tors. theta energy: -182.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2125.868867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.868867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.868867 (E_RNA) where: Base-Base interactions energy: -1476.023 where: short stacking energy: -636.327 Base-Backbone interact. energy: -2.743 local terms energy: -647.101904 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -146.324 flat angles P-C4'-P energy: -75.561 tors. eta vs tors. theta energy: -155.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1830.179217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.179217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.179217 (E_RNA) where: Base-Base interactions energy: -1224.288 where: short stacking energy: -528.045 Base-Backbone interact. energy: -1.008 local terms energy: -604.882907 where: bonds (distance) C4'-P energy: -130.723 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -152.928 flat angles P-C4'-P energy: -67.298 tors. eta vs tors. theta energy: -120.225 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: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1303.613013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.613013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.613013 (E_RNA) where: Base-Base interactions energy: -791.157 where: short stacking energy: -364.838 Base-Backbone interact. energy: -0.447 local terms energy: -512.008563 where: bonds (distance) C4'-P energy: -126.246 bonds (distance) P-C4' energy: -131.706 flat angles C4'-P-C4' energy: -127.470 flat angles P-C4'-P energy: -76.507 tors. eta vs tors. theta energy: -50.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3058.888155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.888155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.888155 (E_RNA) where: Base-Base interactions energy: -2166.997 where: short stacking energy: -949.219 Base-Backbone interact. energy: -3.783 local terms energy: -888.107826 where: bonds (distance) C4'-P energy: -151.531 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -192.763 flat angles P-C4'-P energy: -132.287 tors. eta vs tors. theta energy: -252.871 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: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2951.985033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.985033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.985033 (E_RNA) where: Base-Base interactions energy: -2095.648 where: short stacking energy: -912.947 Base-Backbone interact. energy: 4.306 local terms energy: -860.643167 where: bonds (distance) C4'-P energy: -152.002 bonds (distance) P-C4' energy: -159.386 flat angles C4'-P-C4' energy: -174.593 flat angles P-C4'-P energy: -124.400 tors. eta vs tors. theta energy: -250.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2887.266695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.266695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.266695 (E_RNA) where: Base-Base interactions energy: -2028.201 where: short stacking energy: -852.896 Base-Backbone interact. energy: -6.732 local terms energy: -852.333124 where: bonds (distance) C4'-P energy: -152.392 bonds (distance) P-C4' energy: -161.542 flat angles C4'-P-C4' energy: -190.417 flat angles P-C4'-P energy: -103.581 tors. eta vs tors. theta energy: -244.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2766.753417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.753417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.753417 (E_RNA) where: Base-Base interactions energy: -1991.945 where: short stacking energy: -834.215 Base-Backbone interact. energy: -3.391 local terms energy: -771.417769 where: bonds (distance) C4'-P energy: -142.129 bonds (distance) P-C4' energy: -129.438 flat angles C4'-P-C4' energy: -177.234 flat angles P-C4'-P energy: -118.243 tors. eta vs tors. theta energy: -204.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2501.706919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.706919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.706919 (E_RNA) where: Base-Base interactions energy: -1742.460 where: short stacking energy: -729.749 Base-Backbone interact. energy: -3.407 local terms energy: -755.840497 where: bonds (distance) C4'-P energy: -148.136 bonds (distance) P-C4' energy: -142.359 flat angles C4'-P-C4' energy: -166.630 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -205.437 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: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2414.362152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.362152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.362152 (E_RNA) where: Base-Base interactions energy: -1666.227 where: short stacking energy: -707.579 Base-Backbone interact. energy: -4.389 local terms energy: -743.746731 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -145.109 flat angles C4'-P-C4' energy: -163.520 flat angles P-C4'-P energy: -122.997 tors. eta vs tors. theta energy: -178.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2361.052351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.052351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.052351 (E_RNA) where: Base-Base interactions energy: -1661.774 where: short stacking energy: -717.153 Base-Backbone interact. energy: -2.551 local terms energy: -696.727032 where: bonds (distance) C4'-P energy: -126.797 bonds (distance) P-C4' energy: -117.079 flat angles C4'-P-C4' energy: -161.686 flat angles P-C4'-P energy: -101.448 tors. eta vs tors. theta energy: -189.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2069.123740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.123740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.123740 (E_RNA) where: Base-Base interactions energy: -1432.440 where: short stacking energy: -628.801 Base-Backbone interact. energy: 1.662 local terms energy: -638.346079 where: bonds (distance) C4'-P energy: -107.173 bonds (distance) P-C4' energy: -137.236 flat angles C4'-P-C4' energy: -137.536 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -160.420 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: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1860.437802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.437802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.437802 (E_RNA) where: Base-Base interactions energy: -1258.985 where: short stacking energy: -583.857 Base-Backbone interact. energy: -4.029 local terms energy: -597.424408 where: bonds (distance) C4'-P energy: -125.358 bonds (distance) P-C4' energy: -132.737 flat angles C4'-P-C4' energy: -134.682 flat angles P-C4'-P energy: -87.377 tors. eta vs tors. theta energy: -117.271 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: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1325.343310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.343310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.343310 (E_RNA) where: Base-Base interactions energy: -840.341 where: short stacking energy: -386.959 Base-Backbone interact. energy: -0.783 local terms energy: -484.220077 where: bonds (distance) C4'-P energy: -128.369 bonds (distance) P-C4' energy: -122.457 flat angles C4'-P-C4' energy: -124.537 flat angles P-C4'-P energy: -52.929 tors. eta vs tors. theta energy: -55.928 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3037.384069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.384069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.384069 (E_RNA) where: Base-Base interactions energy: -2160.230 where: short stacking energy: -930.509 Base-Backbone interact. energy: -1.808 local terms energy: -875.346559 where: bonds (distance) C4'-P energy: -161.873 bonds (distance) P-C4' energy: -153.939 flat angles C4'-P-C4' energy: -190.020 flat angles P-C4'-P energy: -118.228 tors. eta vs tors. theta energy: -251.287 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: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2918.919552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.919552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.919552 (E_RNA) where: Base-Base interactions energy: -2057.147 where: short stacking energy: -860.936 Base-Backbone interact. energy: -5.693 local terms energy: -856.079083 where: bonds (distance) C4'-P energy: -151.614 bonds (distance) P-C4' energy: -169.953 flat angles C4'-P-C4' energy: -185.440 flat angles P-C4'-P energy: -114.703 tors. eta vs tors. theta energy: -234.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2877.194186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.194186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.194186 (E_RNA) where: Base-Base interactions energy: -2053.141 where: short stacking energy: -871.177 Base-Backbone interact. energy: -3.104 local terms energy: -820.949178 where: bonds (distance) C4'-P energy: -152.284 bonds (distance) P-C4' energy: -156.519 flat angles C4'-P-C4' energy: -176.922 flat angles P-C4'-P energy: -110.278 tors. eta vs tors. theta energy: -224.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2743.998627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.998627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.998627 (E_RNA) where: Base-Base interactions energy: -1981.975 where: short stacking energy: -827.652 Base-Backbone interact. energy: -4.557 local terms energy: -757.466727 where: bonds (distance) C4'-P energy: -130.501 bonds (distance) P-C4' energy: -138.003 flat angles C4'-P-C4' energy: -175.699 flat angles P-C4'-P energy: -112.757 tors. eta vs tors. theta energy: -200.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2541.708610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.708610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.708610 (E_RNA) where: Base-Base interactions energy: -1774.035 where: short stacking energy: -754.517 Base-Backbone interact. energy: 1.421 local terms energy: -769.095030 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -154.140 flat angles C4'-P-C4' energy: -165.976 flat angles P-C4'-P energy: -122.611 tors. eta vs tors. theta energy: -201.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2381.179422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.179422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.179422 (E_RNA) where: Base-Base interactions energy: -1667.731 where: short stacking energy: -709.654 Base-Backbone interact. energy: -1.533 local terms energy: -711.914667 where: bonds (distance) C4'-P energy: -126.897 bonds (distance) P-C4' energy: -134.288 flat angles C4'-P-C4' energy: -176.769 flat angles P-C4'-P energy: -95.525 tors. eta vs tors. theta energy: -178.435 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: 7, replica: 3 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2316.008746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.008746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.008746 (E_RNA) where: Base-Base interactions energy: -1627.857 where: short stacking energy: -739.386 Base-Backbone interact. energy: -1.433 local terms energy: -686.718100 where: bonds (distance) C4'-P energy: -127.920 bonds (distance) P-C4' energy: -123.770 flat angles C4'-P-C4' energy: -163.165 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -187.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2052.825889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.825889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.825889 (E_RNA) where: Base-Base interactions energy: -1418.476 where: short stacking energy: -608.664 Base-Backbone interact. energy: -0.227 local terms energy: -634.122366 where: bonds (distance) C4'-P energy: -112.500 bonds (distance) P-C4' energy: -158.812 flat angles C4'-P-C4' energy: -147.679 flat angles P-C4'-P energy: -75.756 tors. eta vs tors. theta energy: -139.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1900.452267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.452267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.452267 (E_RNA) where: Base-Base interactions energy: -1307.113 where: short stacking energy: -586.654 Base-Backbone interact. energy: 3.262 local terms energy: -596.601695 where: bonds (distance) C4'-P energy: -127.573 bonds (distance) P-C4' energy: -116.905 flat angles C4'-P-C4' energy: -146.467 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -124.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1298.901633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.901633 (E_RNA) where: Base-Base interactions energy: -783.121 where: short stacking energy: -362.951 Base-Backbone interact. energy: 0.231 local terms energy: -516.012120 where: bonds (distance) C4'-P energy: -125.951 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -119.391 flat angles P-C4'-P energy: -76.729 tors. eta vs tors. theta energy: -56.801 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: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3031.884842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.884842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.884842 (E_RNA) where: Base-Base interactions energy: -2136.643 where: short stacking energy: -931.493 Base-Backbone interact. energy: -3.762 local terms energy: -891.479470 where: bonds (distance) C4'-P energy: -156.172 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -193.055 flat angles P-C4'-P energy: -112.198 tors. eta vs tors. theta energy: -258.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2959.579105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.579105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.579105 (E_RNA) where: Base-Base interactions energy: -2077.807 where: short stacking energy: -897.739 Base-Backbone interact. energy: -0.967 local terms energy: -880.804690 where: bonds (distance) C4'-P energy: -158.049 bonds (distance) P-C4' energy: -165.046 flat angles C4'-P-C4' energy: -182.723 flat angles P-C4'-P energy: -127.568 tors. eta vs tors. theta energy: -247.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2842.933130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.933130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.933130 (E_RNA) where: Base-Base interactions energy: -2028.395 where: short stacking energy: -856.145 Base-Backbone interact. energy: 1.912 local terms energy: -816.450097 where: bonds (distance) C4'-P energy: -149.253 bonds (distance) P-C4' energy: -147.412 flat angles C4'-P-C4' energy: -166.551 flat angles P-C4'-P energy: -128.150 tors. eta vs tors. theta energy: -225.084 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: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2797.661217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.661217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.661217 (E_RNA) where: Base-Base interactions energy: -2014.194 where: short stacking energy: -852.209 Base-Backbone interact. energy: -1.296 local terms energy: -782.171674 where: bonds (distance) C4'-P energy: -143.321 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -112.955 tors. eta vs tors. theta energy: -215.785 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: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2529.175365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.175365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.175365 (E_RNA) where: Base-Base interactions energy: -1780.940 where: short stacking energy: -722.049 Base-Backbone interact. energy: -6.032 local terms energy: -742.204097 where: bonds (distance) C4'-P energy: -129.825 bonds (distance) P-C4' energy: -148.055 flat angles C4'-P-C4' energy: -177.798 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -185.174 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: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2397.419266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.419266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.419266 (E_RNA) where: Base-Base interactions energy: -1680.434 where: short stacking energy: -711.895 Base-Backbone interact. energy: 3.358 local terms energy: -720.343153 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -155.183 flat angles C4'-P-C4' energy: -162.728 flat angles P-C4'-P energy: -103.777 tors. eta vs tors. theta energy: -190.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2450.335601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.335601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.335601 (E_RNA) where: Base-Base interactions energy: -1722.577 where: short stacking energy: -738.615 Base-Backbone interact. energy: -3.390 local terms energy: -724.368819 where: bonds (distance) C4'-P energy: -124.130 bonds (distance) P-C4' energy: -136.092 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -102.062 tors. eta vs tors. theta energy: -213.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2015.424598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.424598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.424598 (E_RNA) where: Base-Base interactions energy: -1356.600 where: short stacking energy: -612.656 Base-Backbone interact. energy: 0.448 local terms energy: -659.272424 where: bonds (distance) C4'-P energy: -112.276 bonds (distance) P-C4' energy: -140.806 flat angles C4'-P-C4' energy: -155.288 flat angles P-C4'-P energy: -109.874 tors. eta vs tors. theta energy: -141.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1826.996299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.996299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.996299 (E_RNA) where: Base-Base interactions energy: -1245.716 where: short stacking energy: -562.203 Base-Backbone interact. energy: 2.414 local terms energy: -583.694499 where: bonds (distance) C4'-P energy: -113.914 bonds (distance) P-C4' energy: -130.403 flat angles C4'-P-C4' energy: -148.066 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -109.413 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: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1306.619950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.619950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.619950 (E_RNA) where: Base-Base interactions energy: -827.575 where: short stacking energy: -407.455 Base-Backbone interact. energy: 9.366 local terms energy: -488.411016 where: bonds (distance) C4'-P energy: -87.530 bonds (distance) P-C4' energy: -149.797 flat angles C4'-P-C4' energy: -126.546 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -60.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3033.205234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.205234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.205234 (E_RNA) where: Base-Base interactions energy: -2131.187 where: short stacking energy: -916.683 Base-Backbone interact. energy: -1.882 local terms energy: -900.136349 where: bonds (distance) C4'-P energy: -155.463 bonds (distance) P-C4' energy: -172.062 flat angles C4'-P-C4' energy: -192.633 flat angles P-C4'-P energy: -121.641 tors. eta vs tors. theta energy: -258.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2960.730357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.730357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.730357 (E_RNA) where: Base-Base interactions energy: -2103.601 where: short stacking energy: -882.029 Base-Backbone interact. energy: 1.820 local terms energy: -858.950203 where: bonds (distance) C4'-P energy: -155.831 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -183.471 flat angles P-C4'-P energy: -129.174 tors. eta vs tors. theta energy: -246.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2877.610246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.610246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.610246 (E_RNA) where: Base-Base interactions energy: -2048.785 where: short stacking energy: -869.767 Base-Backbone interact. energy: -2.744 local terms energy: -826.081429 where: bonds (distance) C4'-P energy: -152.206 bonds (distance) P-C4' energy: -141.217 flat angles C4'-P-C4' energy: -185.624 flat angles P-C4'-P energy: -117.618 tors. eta vs tors. theta energy: -229.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2763.805761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.805761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.805761 (E_RNA) where: Base-Base interactions energy: -1984.703 where: short stacking energy: -827.707 Base-Backbone interact. energy: -0.782 local terms energy: -778.321053 where: bonds (distance) C4'-P energy: -144.837 bonds (distance) P-C4' energy: -146.811 flat angles C4'-P-C4' energy: -154.290 flat angles P-C4'-P energy: -112.788 tors. eta vs tors. theta energy: -219.597 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: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2556.638327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.638327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.638327 (E_RNA) where: Base-Base interactions energy: -1828.513 where: short stacking energy: -771.441 Base-Backbone interact. energy: -1.546 local terms energy: -726.579338 where: bonds (distance) C4'-P energy: -123.631 bonds (distance) P-C4' energy: -133.130 flat angles C4'-P-C4' energy: -162.993 flat angles P-C4'-P energy: -111.029 tors. eta vs tors. theta energy: -195.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2408.715165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.715165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.715165 (E_RNA) where: Base-Base interactions energy: -1701.826 where: short stacking energy: -739.822 Base-Backbone interact. energy: -3.984 local terms energy: -702.904363 where: bonds (distance) C4'-P energy: -124.298 bonds (distance) P-C4' energy: -139.600 flat angles C4'-P-C4' energy: -157.877 flat angles P-C4'-P energy: -102.136 tors. eta vs tors. theta energy: -178.993 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: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2447.901259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.901259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.901259 (E_RNA) where: Base-Base interactions energy: -1729.737 where: short stacking energy: -742.200 Base-Backbone interact. energy: -4.413 local terms energy: -713.751137 where: bonds (distance) C4'-P energy: -137.628 bonds (distance) P-C4' energy: -129.188 flat angles C4'-P-C4' energy: -150.775 flat angles P-C4'-P energy: -85.558 tors. eta vs tors. theta energy: -210.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2008.676527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.676527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.676527 (E_RNA) where: Base-Base interactions energy: -1358.929 where: short stacking energy: -578.456 Base-Backbone interact. energy: 3.433 local terms energy: -653.180067 where: bonds (distance) C4'-P energy: -145.435 bonds (distance) P-C4' energy: -135.659 flat angles C4'-P-C4' energy: -142.860 flat angles P-C4'-P energy: -94.226 tors. eta vs tors. theta energy: -135.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1905.847538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.847538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.847538 (E_RNA) where: Base-Base interactions energy: -1277.645 where: short stacking energy: -564.514 Base-Backbone interact. energy: -1.748 local terms energy: -626.454857 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -127.080 flat angles C4'-P-C4' energy: -143.365 flat angles P-C4'-P energy: -91.738 tors. eta vs tors. theta energy: -125.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1279.050050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.050050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.050050 (E_RNA) where: Base-Base interactions energy: -835.666 where: short stacking energy: -371.259 Base-Backbone interact. energy: 1.221 local terms energy: -444.605068 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -128.009 flat angles C4'-P-C4' energy: -114.780 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -28.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3015.965069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.965069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.965069 (E_RNA) where: Base-Base interactions energy: -2144.911 where: short stacking energy: -912.728 Base-Backbone interact. energy: -1.714 local terms energy: -869.339744 where: bonds (distance) C4'-P energy: -158.094 bonds (distance) P-C4' energy: -163.056 flat angles C4'-P-C4' energy: -176.682 flat angles P-C4'-P energy: -119.557 tors. eta vs tors. theta energy: -251.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2938.617817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.617817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.617817 (E_RNA) where: Base-Base interactions energy: -2090.634 where: short stacking energy: -876.923 Base-Backbone interact. energy: -4.240 local terms energy: -843.743815 where: bonds (distance) C4'-P energy: -158.569 bonds (distance) P-C4' energy: -158.246 flat angles C4'-P-C4' energy: -172.673 flat angles P-C4'-P energy: -116.471 tors. eta vs tors. theta energy: -237.784 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: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2873.825464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.825464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.825464 (E_RNA) where: Base-Base interactions energy: -2065.143 where: short stacking energy: -857.170 Base-Backbone interact. energy: -2.183 local terms energy: -806.500314 where: bonds (distance) C4'-P energy: -130.086 bonds (distance) P-C4' energy: -149.647 flat angles C4'-P-C4' energy: -176.642 flat angles P-C4'-P energy: -117.575 tors. eta vs tors. theta energy: -232.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2734.749233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.749233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.749233 (E_RNA) where: Base-Base interactions energy: -1962.476 where: short stacking energy: -790.435 Base-Backbone interact. energy: -0.945 local terms energy: -771.328196 where: bonds (distance) C4'-P energy: -143.349 bonds (distance) P-C4' energy: -145.880 flat angles C4'-P-C4' energy: -152.728 flat angles P-C4'-P energy: -115.645 tors. eta vs tors. theta energy: -213.726 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: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2543.064315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.064315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.064315 (E_RNA) where: Base-Base interactions energy: -1804.493 where: short stacking energy: -742.805 Base-Backbone interact. energy: -1.081 local terms energy: -737.490782 where: bonds (distance) C4'-P energy: -141.836 bonds (distance) P-C4' energy: -148.362 flat angles C4'-P-C4' energy: -166.781 flat angles P-C4'-P energy: -99.606 tors. eta vs tors. theta energy: -180.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2500.917589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.917589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.917589 (E_RNA) where: Base-Base interactions energy: -1775.726 where: short stacking energy: -763.815 Base-Backbone interact. energy: -2.524 local terms energy: -722.667747 where: bonds (distance) C4'-P energy: -122.016 bonds (distance) P-C4' energy: -137.279 flat angles C4'-P-C4' energy: -162.313 flat angles P-C4'-P energy: -92.651 tors. eta vs tors. theta energy: -208.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2328.369804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.369804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.369804 (E_RNA) where: Base-Base interactions energy: -1639.029 where: short stacking energy: -667.842 Base-Backbone interact. energy: -5.091 local terms energy: -684.249413 where: bonds (distance) C4'-P energy: -135.749 bonds (distance) P-C4' energy: -139.633 flat angles C4'-P-C4' energy: -163.021 flat angles P-C4'-P energy: -92.333 tors. eta vs tors. theta energy: -153.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2004.020910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.020910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.020910 (E_RNA) where: Base-Base interactions energy: -1386.966 where: short stacking energy: -582.683 Base-Backbone interact. energy: -1.990 local terms energy: -615.065721 where: bonds (distance) C4'-P energy: -134.752 bonds (distance) P-C4' energy: -125.691 flat angles C4'-P-C4' energy: -145.998 flat angles P-C4'-P energy: -71.918 tors. eta vs tors. theta energy: -136.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1883.012078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.012078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.012078 (E_RNA) where: Base-Base interactions energy: -1282.314 where: short stacking energy: -552.970 Base-Backbone interact. energy: -1.881 local terms energy: -598.816564 where: bonds (distance) C4'-P energy: -136.625 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -132.905 flat angles P-C4'-P energy: -90.233 tors. eta vs tors. theta energy: -107.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1271.745582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.745582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.745582 (E_RNA) where: Base-Base interactions energy: -794.289 where: short stacking energy: -401.413 Base-Backbone interact. energy: 0.591 local terms energy: -478.047387 where: bonds (distance) C4'-P energy: -105.982 bonds (distance) P-C4' energy: -124.525 flat angles C4'-P-C4' energy: -118.412 flat angles P-C4'-P energy: -94.029 tors. eta vs tors. theta energy: -35.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3048.511169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.511169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.511169 (E_RNA) where: Base-Base interactions energy: -2163.344 where: short stacking energy: -940.251 Base-Backbone interact. energy: -1.532 local terms energy: -883.635622 where: bonds (distance) C4'-P energy: -141.097 bonds (distance) P-C4' energy: -174.166 flat angles C4'-P-C4' energy: -195.501 flat angles P-C4'-P energy: -119.072 tors. eta vs tors. theta energy: -253.800 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: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2960.977014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.977014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.977014 (E_RNA) where: Base-Base interactions energy: -2091.657 where: short stacking energy: -875.659 Base-Backbone interact. energy: -9.695 local terms energy: -859.625387 where: bonds (distance) C4'-P energy: -154.621 bonds (distance) P-C4' energy: -149.024 flat angles C4'-P-C4' energy: -189.330 flat angles P-C4'-P energy: -127.735 tors. eta vs tors. theta energy: -238.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2878.751050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.751050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.751050 (E_RNA) where: Base-Base interactions energy: -2071.610 where: short stacking energy: -847.565 Base-Backbone interact. energy: -1.506 local terms energy: -805.635265 where: bonds (distance) C4'-P energy: -150.455 bonds (distance) P-C4' energy: -144.696 flat angles C4'-P-C4' energy: -189.522 flat angles P-C4'-P energy: -98.841 tors. eta vs tors. theta energy: -222.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2794.021473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.021473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.021473 (E_RNA) where: Base-Base interactions energy: -1989.733 where: short stacking energy: -837.938 Base-Backbone interact. energy: -5.527 local terms energy: -798.761059 where: bonds (distance) C4'-P energy: -168.908 bonds (distance) P-C4' energy: -140.741 flat angles C4'-P-C4' energy: -162.480 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -220.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2550.054671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.054671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.054671 (E_RNA) where: Base-Base interactions energy: -1809.034 where: short stacking energy: -743.350 Base-Backbone interact. energy: -2.379 local terms energy: -738.641593 where: bonds (distance) C4'-P energy: -129.173 bonds (distance) P-C4' energy: -163.832 flat angles C4'-P-C4' energy: -160.332 flat angles P-C4'-P energy: -104.585 tors. eta vs tors. theta energy: -180.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2516.490532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.490532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.490532 (E_RNA) where: Base-Base interactions energy: -1749.359 where: short stacking energy: -735.756 Base-Backbone interact. energy: -0.485 local terms energy: -766.646199 where: bonds (distance) C4'-P energy: -145.125 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -167.447 flat angles P-C4'-P energy: -95.017 tors. eta vs tors. theta energy: -207.331 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: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2321.020112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.020112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.020112 (E_RNA) where: Base-Base interactions energy: -1638.402 where: short stacking energy: -713.737 Base-Backbone interact. energy: 4.859 local terms energy: -687.477389 where: bonds (distance) C4'-P energy: -135.084 bonds (distance) P-C4' energy: -124.172 flat angles C4'-P-C4' energy: -160.476 flat angles P-C4'-P energy: -88.563 tors. eta vs tors. theta energy: -179.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1985.420231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.420231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.420231 (E_RNA) where: Base-Base interactions energy: -1355.863 where: short stacking energy: -615.803 Base-Backbone interact. energy: 1.229 local terms energy: -630.786224 where: bonds (distance) C4'-P energy: -133.534 bonds (distance) P-C4' energy: -140.155 flat angles C4'-P-C4' energy: -136.997 flat angles P-C4'-P energy: -84.592 tors. eta vs tors. theta energy: -135.508 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: 378 Temperature: 1.300000 Total energy: -1938.896492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.896492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.896492 (E_RNA) where: Base-Base interactions energy: -1334.367 where: short stacking energy: -579.756 Base-Backbone interact. energy: -1.515 local terms energy: -603.014376 where: bonds (distance) C4'-P energy: -95.923 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -153.863 flat angles P-C4'-P energy: -67.775 tors. eta vs tors. theta energy: -148.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1206.729345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.729345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.729345 (E_RNA) where: Base-Base interactions energy: -742.467 where: short stacking energy: -365.198 Base-Backbone interact. energy: -5.360 local terms energy: -458.902300 where: bonds (distance) C4'-P energy: -114.423 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -32.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3041.997696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.997696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.997696 (E_RNA) where: Base-Base interactions energy: -2173.256 where: short stacking energy: -914.163 Base-Backbone interact. energy: -2.161 local terms energy: -866.580467 where: bonds (distance) C4'-P energy: -161.581 bonds (distance) P-C4' energy: -156.615 flat angles C4'-P-C4' energy: -172.820 flat angles P-C4'-P energy: -115.588 tors. eta vs tors. theta energy: -259.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2920.112485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.112485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.112485 (E_RNA) where: Base-Base interactions energy: -2084.664 where: short stacking energy: -872.592 Base-Backbone interact. energy: -2.755 local terms energy: -832.693228 where: bonds (distance) C4'-P energy: -147.553 bonds (distance) P-C4' energy: -151.733 flat angles C4'-P-C4' energy: -170.602 flat angles P-C4'-P energy: -121.757 tors. eta vs tors. theta energy: -241.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2890.714066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.714066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.714066 (E_RNA) where: Base-Base interactions energy: -2071.482 where: short stacking energy: -852.527 Base-Backbone interact. energy: -2.914 local terms energy: -816.317929 where: bonds (distance) C4'-P energy: -151.839 bonds (distance) P-C4' energy: -157.146 flat angles C4'-P-C4' energy: -179.234 flat angles P-C4'-P energy: -100.649 tors. eta vs tors. theta energy: -227.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2825.812495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.812495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.812495 (E_RNA) where: Base-Base interactions energy: -2010.409 where: short stacking energy: -844.464 Base-Backbone interact. energy: -3.132 local terms energy: -812.271926 where: bonds (distance) C4'-P energy: -143.699 bonds (distance) P-C4' energy: -166.762 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -127.462 tors. eta vs tors. theta energy: -219.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2537.919588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.919588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.919588 (E_RNA) where: Base-Base interactions energy: -1775.299 where: short stacking energy: -741.717 Base-Backbone interact. energy: -1.638 local terms energy: -760.982553 where: bonds (distance) C4'-P energy: -141.346 bonds (distance) P-C4' energy: -156.276 flat angles C4'-P-C4' energy: -165.527 flat angles P-C4'-P energy: -115.695 tors. eta vs tors. theta energy: -182.139 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: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2533.843269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.843269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.843269 (E_RNA) where: Base-Base interactions energy: -1796.901 where: short stacking energy: -779.641 Base-Backbone interact. energy: -1.165 local terms energy: -735.776677 where: bonds (distance) C4'-P energy: -117.726 bonds (distance) P-C4' energy: -143.921 flat angles C4'-P-C4' energy: -167.759 flat angles P-C4'-P energy: -93.503 tors. eta vs tors. theta energy: -212.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2316.854127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.854127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.854127 (E_RNA) where: Base-Base interactions energy: -1628.110 where: short stacking energy: -696.853 Base-Backbone interact. energy: 8.612 local terms energy: -697.355903 where: bonds (distance) C4'-P energy: -124.993 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -151.382 flat angles P-C4'-P energy: -113.397 tors. eta vs tors. theta energy: -176.213 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: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1927.917880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.917880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.917880 (E_RNA) where: Base-Base interactions energy: -1307.666 where: short stacking energy: -570.052 Base-Backbone interact. energy: 2.328 local terms energy: -622.579686 where: bonds (distance) C4'-P energy: -110.094 bonds (distance) P-C4' energy: -146.473 flat angles C4'-P-C4' energy: -148.914 flat angles P-C4'-P energy: -88.866 tors. eta vs tors. theta energy: -128.233 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: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1938.676669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.676669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.676669 (E_RNA) where: Base-Base interactions energy: -1307.237 where: short stacking energy: -557.044 Base-Backbone interact. energy: -3.944 local terms energy: -627.496207 where: bonds (distance) C4'-P energy: -118.000 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -135.655 flat angles P-C4'-P energy: -99.603 tors. eta vs tors. theta energy: -119.163 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: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1228.441671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.441671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.441671 (E_RNA) where: Base-Base interactions energy: -750.921 where: short stacking energy: -388.296 Base-Backbone interact. energy: 6.985 local terms energy: -484.506251 where: bonds (distance) C4'-P energy: -124.673 bonds (distance) P-C4' energy: -133.627 flat angles C4'-P-C4' energy: -102.989 flat angles P-C4'-P energy: -75.093 tors. eta vs tors. theta energy: -48.124 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3082.605450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.605450 (E_RNA) where: Base-Base interactions energy: -2202.209 where: short stacking energy: -923.304 Base-Backbone interact. energy: -0.737 local terms energy: -879.658798 where: bonds (distance) C4'-P energy: -167.021 bonds (distance) P-C4' energy: -156.977 flat angles C4'-P-C4' energy: -173.004 flat angles P-C4'-P energy: -129.285 tors. eta vs tors. theta energy: -253.372 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: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2942.884190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.884190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.884190 (E_RNA) where: Base-Base interactions energy: -2096.263 where: short stacking energy: -863.602 Base-Backbone interact. energy: -4.004 local terms energy: -842.616630 where: bonds (distance) C4'-P energy: -149.164 bonds (distance) P-C4' energy: -147.415 flat angles C4'-P-C4' energy: -181.076 flat angles P-C4'-P energy: -130.441 tors. eta vs tors. theta energy: -234.521 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: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2929.172345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.172345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.172345 (E_RNA) where: Base-Base interactions energy: -2076.014 where: short stacking energy: -871.584 Base-Backbone interact. energy: -7.288 local terms energy: -845.869871 where: bonds (distance) C4'-P energy: -144.973 bonds (distance) P-C4' energy: -164.014 flat angles C4'-P-C4' energy: -189.121 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -236.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2768.780048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.780048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.780048 (E_RNA) where: Base-Base interactions energy: -1966.998 where: short stacking energy: -810.934 Base-Backbone interact. energy: -0.878 local terms energy: -800.904259 where: bonds (distance) C4'-P energy: -138.251 bonds (distance) P-C4' energy: -150.164 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -134.547 tors. eta vs tors. theta energy: -209.229 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: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2620.243409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.243409 (E_RNA) where: Base-Base interactions energy: -1824.229 where: short stacking energy: -787.613 Base-Backbone interact. energy: -4.671 local terms energy: -791.342652 where: bonds (distance) C4'-P energy: -148.160 bonds (distance) P-C4' energy: -159.834 flat angles C4'-P-C4' energy: -169.551 flat angles P-C4'-P energy: -94.196 tors. eta vs tors. theta energy: -219.601 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2438.747650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.747650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.747650 (E_RNA) where: Base-Base interactions energy: -1722.447 where: short stacking energy: -717.818 Base-Backbone interact. energy: -4.138 local terms energy: -712.163412 where: bonds (distance) C4'-P energy: -134.503 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -150.606 flat angles P-C4'-P energy: -98.630 tors. eta vs tors. theta energy: -177.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2371.876977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.876977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.876977 (E_RNA) where: Base-Base interactions energy: -1673.997 where: short stacking energy: -710.739 Base-Backbone interact. energy: -1.823 local terms energy: -696.057571 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -124.250 flat angles C4'-P-C4' energy: -150.316 flat angles P-C4'-P energy: -96.685 tors. eta vs tors. theta energy: -187.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1941.359825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.359825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.359825 (E_RNA) where: Base-Base interactions energy: -1327.518 where: short stacking energy: -575.830 Base-Backbone interact. energy: -1.254 local terms energy: -612.588160 where: bonds (distance) C4'-P energy: -135.466 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -149.649 flat angles P-C4'-P energy: -96.872 tors. eta vs tors. theta energy: -109.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1872.486948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.486948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.486948 (E_RNA) where: Base-Base interactions energy: -1297.174 where: short stacking energy: -556.644 Base-Backbone interact. energy: -2.991 local terms energy: -572.322138 where: bonds (distance) C4'-P energy: -126.663 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -113.343 flat angles P-C4'-P energy: -72.254 tors. eta vs tors. theta energy: -124.806 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: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1282.643691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.643691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.643691 (E_RNA) where: Base-Base interactions energy: -783.326 where: short stacking energy: -394.439 Base-Backbone interact. energy: 0.767 local terms energy: -500.084356 where: bonds (distance) C4'-P energy: -129.265 bonds (distance) P-C4' energy: -129.715 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -72.501 tors. eta vs tors. theta energy: -54.621 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3047.407219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.407219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.407219 (E_RNA) where: Base-Base interactions energy: -2160.081 where: short stacking energy: -928.856 Base-Backbone interact. energy: 3.931 local terms energy: -891.257286 where: bonds (distance) C4'-P energy: -162.540 bonds (distance) P-C4' energy: -168.399 flat angles C4'-P-C4' energy: -187.539 flat angles P-C4'-P energy: -124.726 tors. eta vs tors. theta energy: -248.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2953.089352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.089352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.089352 (E_RNA) where: Base-Base interactions energy: -2080.927 where: short stacking energy: -888.533 Base-Backbone interact. energy: -5.069 local terms energy: -867.093700 where: bonds (distance) C4'-P energy: -175.879 bonds (distance) P-C4' energy: -140.906 flat angles C4'-P-C4' energy: -172.104 flat angles P-C4'-P energy: -135.837 tors. eta vs tors. theta energy: -242.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2884.921480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.921480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.921480 (E_RNA) where: Base-Base interactions energy: -2061.069 where: short stacking energy: -836.267 Base-Backbone interact. energy: 2.527 local terms energy: -826.379762 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -171.376 flat angles C4'-P-C4' energy: -181.198 flat angles P-C4'-P energy: -104.299 tors. eta vs tors. theta energy: -223.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2783.851594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.851594 (E_RNA) where: Base-Base interactions energy: -2000.311 where: short stacking energy: -815.510 Base-Backbone interact. energy: -4.423 local terms energy: -779.118121 where: bonds (distance) C4'-P energy: -131.565 bonds (distance) P-C4' energy: -148.739 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -109.489 tors. eta vs tors. theta energy: -211.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2598.173574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.173574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.173574 (E_RNA) where: Base-Base interactions energy: -1822.970 where: short stacking energy: -770.261 Base-Backbone interact. energy: -3.511 local terms energy: -771.692690 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -142.948 flat angles C4'-P-C4' energy: -166.216 flat angles P-C4'-P energy: -110.372 tors. eta vs tors. theta energy: -205.786 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: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2416.675935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.675935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.675935 (E_RNA) where: Base-Base interactions energy: -1739.387 where: short stacking energy: -720.262 Base-Backbone interact. energy: 1.674 local terms energy: -678.962570 where: bonds (distance) C4'-P energy: -124.013 bonds (distance) P-C4' energy: -138.928 flat angles C4'-P-C4' energy: -151.834 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -161.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2347.782848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.782848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.782848 (E_RNA) where: Base-Base interactions energy: -1683.748 where: short stacking energy: -751.805 Base-Backbone interact. energy: -0.013 local terms energy: -664.022044 where: bonds (distance) C4'-P energy: -135.593 bonds (distance) P-C4' energy: -128.909 flat angles C4'-P-C4' energy: -144.084 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -189.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1975.239677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.239677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.239677 (E_RNA) where: Base-Base interactions energy: -1348.485 where: short stacking energy: -622.660 Base-Backbone interact. energy: -0.313 local terms energy: -626.441630 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -138.381 flat angles C4'-P-C4' energy: -134.770 flat angles P-C4'-P energy: -97.310 tors. eta vs tors. theta energy: -131.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1858.679098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.679098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.679098 (E_RNA) where: Base-Base interactions energy: -1251.066 where: short stacking energy: -513.874 Base-Backbone interact. energy: -2.246 local terms energy: -605.367184 where: bonds (distance) C4'-P energy: -134.548 bonds (distance) P-C4' energy: -134.055 flat angles C4'-P-C4' energy: -132.925 flat angles P-C4'-P energy: -99.244 tors. eta vs tors. theta energy: -104.595 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: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1225.777843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.777843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.777843 (E_RNA) where: Base-Base interactions energy: -738.021 where: short stacking energy: -365.189 Base-Backbone interact. energy: -1.266 local terms energy: -486.491549 where: bonds (distance) C4'-P energy: -103.103 bonds (distance) P-C4' energy: -131.159 flat angles C4'-P-C4' energy: -107.544 flat angles P-C4'-P energy: -85.792 tors. eta vs tors. theta energy: -58.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3012.042678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.042678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.042678 (E_RNA) where: Base-Base interactions energy: -2125.459 where: short stacking energy: -911.472 Base-Backbone interact. energy: 0.323 local terms energy: -886.906459 where: bonds (distance) C4'-P energy: -169.798 bonds (distance) P-C4' energy: -158.589 flat angles C4'-P-C4' energy: -186.146 flat angles P-C4'-P energy: -118.562 tors. eta vs tors. theta energy: -253.811 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: 382 Temperature: 0.950000 Total energy: -2916.271953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.271953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.271953 (E_RNA) where: Base-Base interactions energy: -2076.533 where: short stacking energy: -853.830 Base-Backbone interact. energy: -4.896 local terms energy: -834.842934 where: bonds (distance) C4'-P energy: -151.706 bonds (distance) P-C4' energy: -156.999 flat angles C4'-P-C4' energy: -181.839 flat angles P-C4'-P energy: -115.503 tors. eta vs tors. theta energy: -228.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2867.077462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.077462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.077462 (E_RNA) where: Base-Base interactions energy: -2020.589 where: short stacking energy: -856.104 Base-Backbone interact. energy: -4.230 local terms energy: -842.258339 where: bonds (distance) C4'-P energy: -164.717 bonds (distance) P-C4' energy: -158.796 flat angles C4'-P-C4' energy: -178.753 flat angles P-C4'-P energy: -113.408 tors. eta vs tors. theta energy: -226.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2791.766696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.766696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.766696 (E_RNA) where: Base-Base interactions energy: -2003.282 where: short stacking energy: -803.230 Base-Backbone interact. energy: -0.277 local terms energy: -788.207734 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -151.716 flat angles C4'-P-C4' energy: -168.295 flat angles P-C4'-P energy: -127.668 tors. eta vs tors. theta energy: -199.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2595.827129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.827129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.827129 (E_RNA) where: Base-Base interactions energy: -1802.081 where: short stacking energy: -746.890 Base-Backbone interact. energy: -3.084 local terms energy: -790.662230 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -144.803 flat angles C4'-P-C4' energy: -159.367 flat angles P-C4'-P energy: -122.903 tors. eta vs tors. theta energy: -218.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2386.303827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.303827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.303827 (E_RNA) where: Base-Base interactions energy: -1669.650 where: short stacking energy: -727.615 Base-Backbone interact. energy: -0.600 local terms energy: -716.054037 where: bonds (distance) C4'-P energy: -127.251 bonds (distance) P-C4' energy: -131.622 flat angles C4'-P-C4' energy: -149.556 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -196.049 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: 382 Temperature: 1.200000 Total energy: -2348.385333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.385333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.385333 (E_RNA) where: Base-Base interactions energy: -1643.188 where: short stacking energy: -698.052 Base-Backbone interact. energy: 3.455 local terms energy: -708.652451 where: bonds (distance) C4'-P energy: -116.558 bonds (distance) P-C4' energy: -149.856 flat angles C4'-P-C4' energy: -162.105 flat angles P-C4'-P energy: -107.300 tors. eta vs tors. theta energy: -172.833 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: 382 Temperature: 1.250000 Total energy: -1965.753582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.753582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.753582 (E_RNA) where: Base-Base interactions energy: -1326.178 where: short stacking energy: -614.583 Base-Backbone interact. energy: 1.522 local terms energy: -641.097675 where: bonds (distance) C4'-P energy: -137.375 bonds (distance) P-C4' energy: -136.004 flat angles C4'-P-C4' energy: -140.765 flat angles P-C4'-P energy: -96.931 tors. eta vs tors. theta energy: -130.023 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: 382 Temperature: 1.300000 Total energy: -1909.027555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.027555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.027555 (E_RNA) where: Base-Base interactions energy: -1301.636 where: short stacking energy: -544.535 Base-Backbone interact. energy: -1.420 local terms energy: -605.971929 where: bonds (distance) C4'-P energy: -128.101 bonds (distance) P-C4' energy: -131.569 flat angles C4'-P-C4' energy: -145.969 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -121.789 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: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1276.288240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.288240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.288240 (E_RNA) where: Base-Base interactions energy: -752.711 where: short stacking energy: -375.352 Base-Backbone interact. energy: -4.389 local terms energy: -519.189046 where: bonds (distance) C4'-P energy: -121.437 bonds (distance) P-C4' energy: -127.741 flat angles C4'-P-C4' energy: -133.864 flat angles P-C4'-P energy: -85.743 tors. eta vs tors. theta energy: -50.405 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: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3013.578700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.578700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.578700 (E_RNA) where: Base-Base interactions energy: -2164.230 where: short stacking energy: -912.098 Base-Backbone interact. energy: -0.522 local terms energy: -848.826001 where: bonds (distance) C4'-P energy: -141.398 bonds (distance) P-C4' energy: -153.755 flat angles C4'-P-C4' energy: -172.742 flat angles P-C4'-P energy: -135.603 tors. eta vs tors. theta energy: -245.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2958.047250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.047250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.047250 (E_RNA) where: Base-Base interactions energy: -2093.342 where: short stacking energy: -882.098 Base-Backbone interact. energy: -0.490 local terms energy: -864.214987 where: bonds (distance) C4'-P energy: -142.022 bonds (distance) P-C4' energy: -161.750 flat angles C4'-P-C4' energy: -185.555 flat angles P-C4'-P energy: -133.633 tors. eta vs tors. theta energy: -241.256 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: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2908.801700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.801700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.801700 (E_RNA) where: Base-Base interactions energy: -2047.703 where: short stacking energy: -848.841 Base-Backbone interact. energy: -6.679 local terms energy: -854.420492 where: bonds (distance) C4'-P energy: -148.727 bonds (distance) P-C4' energy: -169.482 flat angles C4'-P-C4' energy: -187.067 flat angles P-C4'-P energy: -105.501 tors. eta vs tors. theta energy: -243.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2753.771072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.771072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.771072 (E_RNA) where: Base-Base interactions energy: -1991.646 where: short stacking energy: -801.154 Base-Backbone interact. energy: -2.515 local terms energy: -759.610615 where: bonds (distance) C4'-P energy: -136.039 bonds (distance) P-C4' energy: -141.419 flat angles C4'-P-C4' energy: -164.376 flat angles P-C4'-P energy: -109.607 tors. eta vs tors. theta energy: -208.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2602.630386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.630386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.630386 (E_RNA) where: Base-Base interactions energy: -1832.792 where: short stacking energy: -781.719 Base-Backbone interact. energy: -0.909 local terms energy: -768.930027 where: bonds (distance) C4'-P energy: -131.665 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -171.841 flat angles P-C4'-P energy: -106.132 tors. eta vs tors. theta energy: -220.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2431.427288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.427288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.427288 (E_RNA) where: Base-Base interactions energy: -1717.885 where: short stacking energy: -712.375 Base-Backbone interact. energy: -2.428 local terms energy: -711.114108 where: bonds (distance) C4'-P energy: -110.863 bonds (distance) P-C4' energy: -144.432 flat angles C4'-P-C4' energy: -168.023 flat angles P-C4'-P energy: -100.185 tors. eta vs tors. theta energy: -187.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2315.286076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.286076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.286076 (E_RNA) where: Base-Base interactions energy: -1652.293 where: short stacking energy: -703.058 Base-Backbone interact. energy: -3.198 local terms energy: -659.794682 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -120.463 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -107.663 tors. eta vs tors. theta energy: -167.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2014.221053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.221053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.221053 (E_RNA) where: Base-Base interactions energy: -1411.714 where: short stacking energy: -591.722 Base-Backbone interact. energy: 6.517 local terms energy: -609.024845 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -130.257 flat angles C4'-P-C4' energy: -145.763 flat angles P-C4'-P energy: -75.045 tors. eta vs tors. theta energy: -139.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1930.871320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.871320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.871320 (E_RNA) where: Base-Base interactions energy: -1321.384 where: short stacking energy: -603.778 Base-Backbone interact. energy: -2.655 local terms energy: -606.832255 where: bonds (distance) C4'-P energy: -118.955 bonds (distance) P-C4' energy: -130.674 flat angles C4'-P-C4' energy: -135.006 flat angles P-C4'-P energy: -72.452 tors. eta vs tors. theta energy: -149.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1275.114440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.114440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.114440 (E_RNA) where: Base-Base interactions energy: -802.304 where: short stacking energy: -379.563 Base-Backbone interact. energy: 3.974 local terms energy: -476.784843 where: bonds (distance) C4'-P energy: -115.983 bonds (distance) P-C4' energy: -116.374 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -69.488 tors. eta vs tors. theta energy: -43.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3013.864248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.864248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.864248 (E_RNA) where: Base-Base interactions energy: -2121.127 where: short stacking energy: -895.354 Base-Backbone interact. energy: -4.096 local terms energy: -888.641402 where: bonds (distance) C4'-P energy: -158.078 bonds (distance) P-C4' energy: -158.309 flat angles C4'-P-C4' energy: -193.129 flat angles P-C4'-P energy: -138.720 tors. eta vs tors. theta energy: -240.404 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: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2979.179589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.179589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.179589 (E_RNA) where: Base-Base interactions energy: -2100.154 where: short stacking energy: -884.417 Base-Backbone interact. energy: -4.306 local terms energy: -874.719625 where: bonds (distance) C4'-P energy: -155.689 bonds (distance) P-C4' energy: -171.534 flat angles C4'-P-C4' energy: -174.645 flat angles P-C4'-P energy: -129.700 tors. eta vs tors. theta energy: -243.151 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: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2882.602969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.602969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.602969 (E_RNA) where: Base-Base interactions energy: -2071.608 where: short stacking energy: -846.731 Base-Backbone interact. energy: -3.596 local terms energy: -807.399165 where: bonds (distance) C4'-P energy: -137.471 bonds (distance) P-C4' energy: -151.639 flat angles C4'-P-C4' energy: -184.044 flat angles P-C4'-P energy: -100.896 tors. eta vs tors. theta energy: -233.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2808.276276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.276276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.276276 (E_RNA) where: Base-Base interactions energy: -2025.419 where: short stacking energy: -826.510 Base-Backbone interact. energy: -0.460 local terms energy: -782.397389 where: bonds (distance) C4'-P energy: -142.609 bonds (distance) P-C4' energy: -162.869 flat angles C4'-P-C4' energy: -155.950 flat angles P-C4'-P energy: -106.614 tors. eta vs tors. theta energy: -214.356 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: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2620.030734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.030734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.030734 (E_RNA) where: Base-Base interactions energy: -1870.032 where: short stacking energy: -831.695 Base-Backbone interact. energy: -3.443 local terms energy: -746.556120 where: bonds (distance) C4'-P energy: -116.162 bonds (distance) P-C4' energy: -125.815 flat angles C4'-P-C4' energy: -168.855 flat angles P-C4'-P energy: -110.226 tors. eta vs tors. theta energy: -225.498 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: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2474.698781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.698781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.698781 (E_RNA) where: Base-Base interactions energy: -1769.181 where: short stacking energy: -741.556 Base-Backbone interact. energy: -7.352 local terms energy: -698.166278 where: bonds (distance) C4'-P energy: -132.818 bonds (distance) P-C4' energy: -140.400 flat angles C4'-P-C4' energy: -160.160 flat angles P-C4'-P energy: -72.973 tors. eta vs tors. theta energy: -191.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2331.227478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.227478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.227478 (E_RNA) where: Base-Base interactions energy: -1597.508 where: short stacking energy: -685.779 Base-Backbone interact. energy: -1.522 local terms energy: -732.197004 where: bonds (distance) C4'-P energy: -148.439 bonds (distance) P-C4' energy: -154.022 flat angles C4'-P-C4' energy: -151.178 flat angles P-C4'-P energy: -107.433 tors. eta vs tors. theta energy: -171.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2059.031035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.031035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.031035 (E_RNA) where: Base-Base interactions energy: -1430.965 where: short stacking energy: -611.425 Base-Backbone interact. energy: -1.953 local terms energy: -626.113351 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -130.287 flat angles C4'-P-C4' energy: -149.985 flat angles P-C4'-P energy: -81.992 tors. eta vs tors. theta energy: -152.721 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: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1900.611539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.611539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.611539 (E_RNA) where: Base-Base interactions energy: -1286.625 where: short stacking energy: -562.589 Base-Backbone interact. energy: 0.108 local terms energy: -614.094612 where: bonds (distance) C4'-P energy: -128.785 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -138.122 flat angles P-C4'-P energy: -91.617 tors. eta vs tors. theta energy: -135.346 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: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1302.255426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.255426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.255426 (E_RNA) where: Base-Base interactions energy: -867.561 where: short stacking energy: -383.802 Base-Backbone interact. energy: -1.733 local terms energy: -432.961957 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -110.390 flat angles C4'-P-C4' energy: -107.470 flat angles P-C4'-P energy: -73.856 tors. eta vs tors. theta energy: -25.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3029.434731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.434731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.434731 (E_RNA) where: Base-Base interactions energy: -2190.100 where: short stacking energy: -913.425 Base-Backbone interact. energy: -4.068 local terms energy: -835.266492 where: bonds (distance) C4'-P energy: -158.155 bonds (distance) P-C4' energy: -127.268 flat angles C4'-P-C4' energy: -176.852 flat angles P-C4'-P energy: -136.759 tors. eta vs tors. theta energy: -236.232 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: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3005.960609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.960609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.960609 (E_RNA) where: Base-Base interactions energy: -2168.188 where: short stacking energy: -901.865 Base-Backbone interact. energy: -4.454 local terms energy: -833.319125 where: bonds (distance) C4'-P energy: -154.608 bonds (distance) P-C4' energy: -150.796 flat angles C4'-P-C4' energy: -182.440 flat angles P-C4'-P energy: -108.678 tors. eta vs tors. theta energy: -236.797 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: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2883.391715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.391715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.391715 (E_RNA) where: Base-Base interactions energy: -2046.563 where: short stacking energy: -883.841 Base-Backbone interact. energy: -6.063 local terms energy: -830.765996 where: bonds (distance) C4'-P energy: -155.831 bonds (distance) P-C4' energy: -147.432 flat angles C4'-P-C4' energy: -174.017 flat angles P-C4'-P energy: -114.784 tors. eta vs tors. theta energy: -238.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2815.259782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.259782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.259782 (E_RNA) where: Base-Base interactions energy: -2021.207 where: short stacking energy: -836.427 Base-Backbone interact. energy: -2.882 local terms energy: -791.171332 where: bonds (distance) C4'-P energy: -146.771 bonds (distance) P-C4' energy: -152.960 flat angles C4'-P-C4' energy: -171.397 flat angles P-C4'-P energy: -112.282 tors. eta vs tors. theta energy: -207.762 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: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2620.249093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.249093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.249093 (E_RNA) where: Base-Base interactions energy: -1863.073 where: short stacking energy: -789.111 Base-Backbone interact. energy: -3.303 local terms energy: -753.873445 where: bonds (distance) C4'-P energy: -134.827 bonds (distance) P-C4' energy: -138.233 flat angles C4'-P-C4' energy: -170.695 flat angles P-C4'-P energy: -103.264 tors. eta vs tors. theta energy: -206.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2395.457694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.457694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.457694 (E_RNA) where: Base-Base interactions energy: -1732.254 where: short stacking energy: -717.668 Base-Backbone interact. energy: -4.029 local terms energy: -659.174563 where: bonds (distance) C4'-P energy: -118.082 bonds (distance) P-C4' energy: -136.002 flat angles C4'-P-C4' energy: -167.224 flat angles P-C4'-P energy: -77.874 tors. eta vs tors. theta energy: -159.993 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: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2397.956136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.956136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.956136 (E_RNA) where: Base-Base interactions energy: -1720.228 where: short stacking energy: -692.007 Base-Backbone interact. energy: 0.286 local terms energy: -678.013911 where: bonds (distance) C4'-P energy: -125.301 bonds (distance) P-C4' energy: -129.314 flat angles C4'-P-C4' energy: -148.524 flat angles P-C4'-P energy: -107.658 tors. eta vs tors. theta energy: -167.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1923.837988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.837988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.837988 (E_RNA) where: Base-Base interactions energy: -1278.541 where: short stacking energy: -548.462 Base-Backbone interact. energy: -3.852 local terms energy: -641.444457 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -141.628 flat angles C4'-P-C4' energy: -153.745 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -116.965 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1950.322096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.322096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.322096 (E_RNA) where: Base-Base interactions energy: -1379.054 where: short stacking energy: -586.622 Base-Backbone interact. energy: 0.632 local terms energy: -571.900161 where: bonds (distance) C4'-P energy: -106.532 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -127.386 flat angles P-C4'-P energy: -70.962 tors. eta vs tors. theta energy: -124.825 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: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1296.283545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.283545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.283545 (E_RNA) where: Base-Base interactions energy: -820.830 where: short stacking energy: -417.082 Base-Backbone interact. energy: 3.437 local terms energy: -478.890142 where: bonds (distance) C4'-P energy: -114.235 bonds (distance) P-C4' energy: -117.132 flat angles C4'-P-C4' energy: -112.468 flat angles P-C4'-P energy: -79.922 tors. eta vs tors. theta energy: -55.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3080.111314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.111314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.111314 (E_RNA) where: Base-Base interactions energy: -2196.722 where: short stacking energy: -909.478 Base-Backbone interact. energy: -5.851 local terms energy: -877.537914 where: bonds (distance) C4'-P energy: -161.765 bonds (distance) P-C4' energy: -153.720 flat angles C4'-P-C4' energy: -192.091 flat angles P-C4'-P energy: -130.737 tors. eta vs tors. theta energy: -239.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2994.197189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.197189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.197189 (E_RNA) where: Base-Base interactions energy: -2110.643 where: short stacking energy: -884.522 Base-Backbone interact. energy: -5.454 local terms energy: -878.100044 where: bonds (distance) C4'-P energy: -157.314 bonds (distance) P-C4' energy: -162.812 flat angles C4'-P-C4' energy: -176.824 flat angles P-C4'-P energy: -135.818 tors. eta vs tors. theta energy: -245.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2862.238045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.238045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.238045 (E_RNA) where: Base-Base interactions energy: -2038.077 where: short stacking energy: -851.507 Base-Backbone interact. energy: -3.271 local terms energy: -820.889961 where: bonds (distance) C4'-P energy: -151.831 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -171.392 flat angles P-C4'-P energy: -107.519 tors. eta vs tors. theta energy: -243.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2824.871753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.871753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.871753 (E_RNA) where: Base-Base interactions energy: -2033.185 where: short stacking energy: -827.400 Base-Backbone interact. energy: -6.414 local terms energy: -785.273231 where: bonds (distance) C4'-P energy: -153.790 bonds (distance) P-C4' energy: -150.098 flat angles C4'-P-C4' energy: -174.505 flat angles P-C4'-P energy: -106.792 tors. eta vs tors. theta energy: -200.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2598.793867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.793867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.793867 (E_RNA) where: Base-Base interactions energy: -1826.917 where: short stacking energy: -806.361 Base-Backbone interact. energy: -0.415 local terms energy: -771.462745 where: bonds (distance) C4'-P energy: -142.384 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -172.081 flat angles P-C4'-P energy: -88.148 tors. eta vs tors. theta energy: -214.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2410.147976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.147976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.147976 (E_RNA) where: Base-Base interactions energy: -1711.170 where: short stacking energy: -703.029 Base-Backbone interact. energy: -1.582 local terms energy: -697.395834 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -130.906 flat angles C4'-P-C4' energy: -158.311 flat angles P-C4'-P energy: -101.376 tors. eta vs tors. theta energy: -178.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2296.995645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.995645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.995645 (E_RNA) where: Base-Base interactions energy: -1614.233 where: short stacking energy: -723.285 Base-Backbone interact. energy: -3.473 local terms energy: -679.288992 where: bonds (distance) C4'-P energy: -130.544 bonds (distance) P-C4' energy: -130.394 flat angles C4'-P-C4' energy: -151.204 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -181.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1947.265492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.265492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.265492 (E_RNA) where: Base-Base interactions energy: -1351.870 where: short stacking energy: -580.453 Base-Backbone interact. energy: 1.578 local terms energy: -596.974369 where: bonds (distance) C4'-P energy: -127.083 bonds (distance) P-C4' energy: -122.407 flat angles C4'-P-C4' energy: -134.049 flat angles P-C4'-P energy: -100.289 tors. eta vs tors. theta energy: -113.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1857.592119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.592119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.592119 (E_RNA) where: Base-Base interactions energy: -1268.982 where: short stacking energy: -559.771 Base-Backbone interact. energy: 5.864 local terms energy: -594.474014 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -149.228 flat angles P-C4'-P energy: -84.781 tors. eta vs tors. theta energy: -110.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1318.049923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.049923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.049923 (E_RNA) where: Base-Base interactions energy: -852.918 where: short stacking energy: -382.012 Base-Backbone interact. energy: 9.750 local terms energy: -474.882116 where: bonds (distance) C4'-P energy: -129.983 bonds (distance) P-C4' energy: -130.966 flat angles C4'-P-C4' energy: -124.979 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -27.709 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: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3048.002377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.002377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.002377 (E_RNA) where: Base-Base interactions energy: -2171.816 where: short stacking energy: -923.144 Base-Backbone interact. energy: -0.671 local terms energy: -875.515798 where: bonds (distance) C4'-P energy: -165.675 bonds (distance) P-C4' energy: -157.282 flat angles C4'-P-C4' energy: -186.959 flat angles P-C4'-P energy: -127.394 tors. eta vs tors. theta energy: -238.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3012.904401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.904401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.904401 (E_RNA) where: Base-Base interactions energy: -2160.769 where: short stacking energy: -918.815 Base-Backbone interact. energy: -4.428 local terms energy: -847.707512 where: bonds (distance) C4'-P energy: -139.865 bonds (distance) P-C4' energy: -158.878 flat angles C4'-P-C4' energy: -180.849 flat angles P-C4'-P energy: -112.314 tors. eta vs tors. theta energy: -255.801 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: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2872.242349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.242349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.242349 (E_RNA) where: Base-Base interactions energy: -2026.325 where: short stacking energy: -846.917 Base-Backbone interact. energy: 0.507 local terms energy: -846.424254 where: bonds (distance) C4'-P energy: -147.932 bonds (distance) P-C4' energy: -161.734 flat angles C4'-P-C4' energy: -182.401 flat angles P-C4'-P energy: -110.772 tors. eta vs tors. theta energy: -243.584 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: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2826.030451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.030451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.030451 (E_RNA) where: Base-Base interactions energy: -2045.453 where: short stacking energy: -835.358 Base-Backbone interact. energy: -6.002 local terms energy: -774.575513 where: bonds (distance) C4'-P energy: -136.718 bonds (distance) P-C4' energy: -157.603 flat angles C4'-P-C4' energy: -169.989 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -206.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2601.921734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.921734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.921734 (E_RNA) where: Base-Base interactions energy: -1834.987 where: short stacking energy: -800.401 Base-Backbone interact. energy: -0.721 local terms energy: -766.213637 where: bonds (distance) C4'-P energy: -133.606 bonds (distance) P-C4' energy: -138.438 flat angles C4'-P-C4' energy: -164.742 flat angles P-C4'-P energy: -107.505 tors. eta vs tors. theta energy: -221.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2406.465719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.465719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.465719 (E_RNA) where: Base-Base interactions energy: -1683.616 where: short stacking energy: -699.852 Base-Backbone interact. energy: -2.990 local terms energy: -719.860213 where: bonds (distance) C4'-P energy: -135.035 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -142.486 flat angles P-C4'-P energy: -106.761 tors. eta vs tors. theta energy: -195.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2259.300201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.300201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.300201 (E_RNA) where: Base-Base interactions energy: -1599.172 where: short stacking energy: -648.244 Base-Backbone interact. energy: -4.587 local terms energy: -655.541747 where: bonds (distance) C4'-P energy: -122.511 bonds (distance) P-C4' energy: -115.267 flat angles C4'-P-C4' energy: -142.899 flat angles P-C4'-P energy: -91.797 tors. eta vs tors. theta energy: -183.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1996.320117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.320117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.320117 (E_RNA) where: Base-Base interactions energy: -1345.821 where: short stacking energy: -589.852 Base-Backbone interact. energy: -2.089 local terms energy: -648.409200 where: bonds (distance) C4'-P energy: -138.966 bonds (distance) P-C4' energy: -137.440 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -104.833 tors. eta vs tors. theta energy: -127.835 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: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1821.997216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.997216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.997216 (E_RNA) where: Base-Base interactions energy: -1216.583 where: short stacking energy: -508.094 Base-Backbone interact. energy: -0.730 local terms energy: -604.684554 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -135.935 flat angles C4'-P-C4' energy: -141.310 flat angles P-C4'-P energy: -107.033 tors. eta vs tors. theta energy: -103.424 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: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1294.567146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.567146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.567146 (E_RNA) where: Base-Base interactions energy: -789.856 where: short stacking energy: -374.890 Base-Backbone interact. energy: -0.965 local terms energy: -503.746700 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -137.821 flat angles C4'-P-C4' energy: -131.754 flat angles P-C4'-P energy: -72.182 tors. eta vs tors. theta energy: -41.719 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: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3077.247861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.247861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.247861 (E_RNA) where: Base-Base interactions energy: -2199.214 where: short stacking energy: -905.435 Base-Backbone interact. energy: -2.221 local terms energy: -875.813183 where: bonds (distance) C4'-P energy: -145.710 bonds (distance) P-C4' energy: -171.622 flat angles C4'-P-C4' energy: -181.271 flat angles P-C4'-P energy: -127.415 tors. eta vs tors. theta energy: -249.795 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: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3007.397915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.397915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.397915 (E_RNA) where: Base-Base interactions energy: -2141.333 where: short stacking energy: -884.981 Base-Backbone interact. energy: -4.553 local terms energy: -861.512155 where: bonds (distance) C4'-P energy: -153.907 bonds (distance) P-C4' energy: -160.273 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -121.724 tors. eta vs tors. theta energy: -241.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2854.324268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.324268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.324268 (E_RNA) where: Base-Base interactions energy: -2016.186 where: short stacking energy: -852.964 Base-Backbone interact. energy: -6.509 local terms energy: -831.628777 where: bonds (distance) C4'-P energy: -140.727 bonds (distance) P-C4' energy: -145.682 flat angles C4'-P-C4' energy: -175.538 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -251.985 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: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2783.440343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.440343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.440343 (E_RNA) where: Base-Base interactions energy: -2018.429 where: short stacking energy: -820.776 Base-Backbone interact. energy: -3.672 local terms energy: -761.339170 where: bonds (distance) C4'-P energy: -153.068 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -178.556 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -207.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2630.900739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.900739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.900739 (E_RNA) where: Base-Base interactions energy: -1854.026 where: short stacking energy: -807.071 Base-Backbone interact. energy: 3.611 local terms energy: -780.486047 where: bonds (distance) C4'-P energy: -126.069 bonds (distance) P-C4' energy: -153.351 flat angles C4'-P-C4' energy: -175.639 flat angles P-C4'-P energy: -102.026 tors. eta vs tors. theta energy: -223.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2399.319734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.319734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.319734 (E_RNA) where: Base-Base interactions energy: -1733.993 where: short stacking energy: -728.423 Base-Backbone interact. energy: -2.520 local terms energy: -662.806581 where: bonds (distance) C4'-P energy: -116.103 bonds (distance) P-C4' energy: -134.402 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -73.760 tors. eta vs tors. theta energy: -182.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2346.030068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.030068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.030068 (E_RNA) where: Base-Base interactions energy: -1699.520 where: short stacking energy: -690.287 Base-Backbone interact. energy: -1.148 local terms energy: -645.362607 where: bonds (distance) C4'-P energy: -124.044 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -154.844 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -167.703 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: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2008.815314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.815314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.815314 (E_RNA) where: Base-Base interactions energy: -1390.525 where: short stacking energy: -591.446 Base-Backbone interact. energy: -4.486 local terms energy: -613.804187 where: bonds (distance) C4'-P energy: -124.394 bonds (distance) P-C4' energy: -140.708 flat angles C4'-P-C4' energy: -127.362 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -120.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1872.809947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.809947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.809947 (E_RNA) where: Base-Base interactions energy: -1308.464 where: short stacking energy: -543.271 Base-Backbone interact. energy: -0.869 local terms energy: -563.477116 where: bonds (distance) C4'-P energy: -101.750 bonds (distance) P-C4' energy: -124.918 flat angles C4'-P-C4' energy: -141.094 flat angles P-C4'-P energy: -75.971 tors. eta vs tors. theta energy: -119.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1336.686082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.686082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.686082 (E_RNA) where: Base-Base interactions energy: -839.615 where: short stacking energy: -379.700 Base-Backbone interact. energy: 3.496 local terms energy: -500.566906 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -133.974 flat angles C4'-P-C4' energy: -128.968 flat angles P-C4'-P energy: -66.977 tors. eta vs tors. theta energy: -43.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3081.491891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.491891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.491891 (E_RNA) where: Base-Base interactions energy: -2183.522 where: short stacking energy: -926.696 Base-Backbone interact. energy: -1.235 local terms energy: -896.735635 where: bonds (distance) C4'-P energy: -170.312 bonds (distance) P-C4' energy: -165.398 flat angles C4'-P-C4' energy: -181.545 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -253.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2984.395741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.395741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.395741 (E_RNA) where: Base-Base interactions energy: -2117.742 where: short stacking energy: -891.486 Base-Backbone interact. energy: -3.198 local terms energy: -863.456066 where: bonds (distance) C4'-P energy: -157.446 bonds (distance) P-C4' energy: -162.826 flat angles C4'-P-C4' energy: -181.053 flat angles P-C4'-P energy: -121.409 tors. eta vs tors. theta energy: -240.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2856.251901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.251901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.251901 (E_RNA) where: Base-Base interactions energy: -2022.007 where: short stacking energy: -872.647 Base-Backbone interact. energy: -2.899 local terms energy: -831.346192 where: bonds (distance) C4'-P energy: -142.348 bonds (distance) P-C4' energy: -142.761 flat angles C4'-P-C4' energy: -178.889 flat angles P-C4'-P energy: -119.983 tors. eta vs tors. theta energy: -247.365 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: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2791.899551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.899551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.899551 (E_RNA) where: Base-Base interactions energy: -1976.392 where: short stacking energy: -827.057 Base-Backbone interact. energy: -5.217 local terms energy: -810.290716 where: bonds (distance) C4'-P energy: -160.262 bonds (distance) P-C4' energy: -146.970 flat angles C4'-P-C4' energy: -170.549 flat angles P-C4'-P energy: -127.864 tors. eta vs tors. theta energy: -204.646 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: 389 Temperature: 1.100000 Total energy: -2569.599318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.599318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.599318 (E_RNA) where: Base-Base interactions energy: -1824.210 where: short stacking energy: -769.847 Base-Backbone interact. energy: -2.128 local terms energy: -743.262011 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -150.442 flat angles C4'-P-C4' energy: -169.829 flat angles P-C4'-P energy: -102.185 tors. eta vs tors. theta energy: -202.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2445.666313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.666313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.666313 (E_RNA) where: Base-Base interactions energy: -1695.157 where: short stacking energy: -706.705 Base-Backbone interact. energy: -2.532 local terms energy: -747.977268 where: bonds (distance) C4'-P energy: -152.798 bonds (distance) P-C4' energy: -154.762 flat angles C4'-P-C4' energy: -154.662 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -189.878 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: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2384.163612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.163612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.163612 (E_RNA) where: Base-Base interactions energy: -1690.505 where: short stacking energy: -719.358 Base-Backbone interact. energy: 0.549 local terms energy: -694.206707 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -151.003 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -76.776 tors. eta vs tors. theta energy: -186.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2002.548757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.548757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.548757 (E_RNA) where: Base-Base interactions energy: -1412.322 where: short stacking energy: -598.822 Base-Backbone interact. energy: -2.815 local terms energy: -587.411201 where: bonds (distance) C4'-P energy: -111.188 bonds (distance) P-C4' energy: -123.684 flat angles C4'-P-C4' energy: -129.676 flat angles P-C4'-P energy: -92.976 tors. eta vs tors. theta energy: -129.888 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: 389 Temperature: 1.300000 Total energy: -1876.589880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.589880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.589880 (E_RNA) where: Base-Base interactions energy: -1314.221 where: short stacking energy: -574.077 Base-Backbone interact. energy: -1.657 local terms energy: -560.712385 where: bonds (distance) C4'-P energy: -114.887 bonds (distance) P-C4' energy: -130.066 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: -121.334 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: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1332.152634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.152634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.152634 (E_RNA) where: Base-Base interactions energy: -852.932 where: short stacking energy: -399.529 Base-Backbone interact. energy: -4.036 local terms energy: -475.184326 where: bonds (distance) C4'-P energy: -122.191 bonds (distance) P-C4' energy: -133.151 flat angles C4'-P-C4' energy: -110.430 flat angles P-C4'-P energy: -45.697 tors. eta vs tors. theta energy: -63.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3019.174224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.174224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.174224 (E_RNA) where: Base-Base interactions energy: -2143.151 where: short stacking energy: -912.006 Base-Backbone interact. energy: -1.735 local terms energy: -874.288882 where: bonds (distance) C4'-P energy: -153.509 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -184.746 flat angles P-C4'-P energy: -126.261 tors. eta vs tors. theta energy: -249.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2982.625406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.625406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.625406 (E_RNA) where: Base-Base interactions energy: -2119.915 where: short stacking energy: -889.896 Base-Backbone interact. energy: 3.662 local terms energy: -866.372689 where: bonds (distance) C4'-P energy: -169.211 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -180.003 flat angles P-C4'-P energy: -113.804 tors. eta vs tors. theta energy: -243.434 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: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2840.267862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.267862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.267862 (E_RNA) where: Base-Base interactions energy: -2010.357 where: short stacking energy: -843.435 Base-Backbone interact. energy: -4.058 local terms energy: -825.853273 where: bonds (distance) C4'-P energy: -158.172 bonds (distance) P-C4' energy: -153.560 flat angles C4'-P-C4' energy: -175.143 flat angles P-C4'-P energy: -110.425 tors. eta vs tors. theta energy: -228.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2758.327861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.327861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.327861 (E_RNA) where: Base-Base interactions energy: -1964.629 where: short stacking energy: -783.836 Base-Backbone interact. energy: -5.325 local terms energy: -788.373380 where: bonds (distance) C4'-P energy: -155.881 bonds (distance) P-C4' energy: -159.183 flat angles C4'-P-C4' energy: -165.500 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -198.736 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: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2607.414700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.414700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.414700 (E_RNA) where: Base-Base interactions energy: -1826.029 where: short stacking energy: -785.242 Base-Backbone interact. energy: -1.504 local terms energy: -779.881778 where: bonds (distance) C4'-P energy: -129.756 bonds (distance) P-C4' energy: -143.990 flat angles C4'-P-C4' energy: -179.205 flat angles P-C4'-P energy: -106.864 tors. eta vs tors. theta energy: -220.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2481.516871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.516871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.516871 (E_RNA) where: Base-Base interactions energy: -1738.589 where: short stacking energy: -770.234 Base-Backbone interact. energy: 4.049 local terms energy: -746.977075 where: bonds (distance) C4'-P energy: -142.693 bonds (distance) P-C4' energy: -140.646 flat angles C4'-P-C4' energy: -172.731 flat angles P-C4'-P energy: -94.565 tors. eta vs tors. theta energy: -196.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2358.983206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.983206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.983206 (E_RNA) where: Base-Base interactions energy: -1679.743 where: short stacking energy: -739.914 Base-Backbone interact. energy: -2.400 local terms energy: -676.840525 where: bonds (distance) C4'-P energy: -119.601 bonds (distance) P-C4' energy: -129.317 flat angles C4'-P-C4' energy: -152.992 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -184.730 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: 390 Temperature: 1.250000 Total energy: -2053.616489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.616489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.616489 (E_RNA) where: Base-Base interactions energy: -1394.618 where: short stacking energy: -627.441 Base-Backbone interact. energy: -1.909 local terms energy: -657.089847 where: bonds (distance) C4'-P energy: -132.588 bonds (distance) P-C4' energy: -144.018 flat angles C4'-P-C4' energy: -144.620 flat angles P-C4'-P energy: -88.840 tors. eta vs tors. theta energy: -147.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1899.614106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.614106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.614106 (E_RNA) where: Base-Base interactions energy: -1315.202 where: short stacking energy: -557.320 Base-Backbone interact. energy: -2.783 local terms energy: -581.629224 where: bonds (distance) C4'-P energy: -120.101 bonds (distance) P-C4' energy: -134.413 flat angles C4'-P-C4' energy: -118.660 flat angles P-C4'-P energy: -95.063 tors. eta vs tors. theta energy: -113.393 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: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1269.732648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.732648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.732648 (E_RNA) where: Base-Base interactions energy: -768.871 where: short stacking energy: -392.966 Base-Backbone interact. energy: 2.637 local terms energy: -503.498073 where: bonds (distance) C4'-P energy: -101.098 bonds (distance) P-C4' energy: -140.716 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -79.997 tors. eta vs tors. theta energy: -43.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3043.354048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.354048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.354048 (E_RNA) where: Base-Base interactions energy: -2173.314 where: short stacking energy: -919.814 Base-Backbone interact. energy: -0.337 local terms energy: -869.702487 where: bonds (distance) C4'-P energy: -156.452 bonds (distance) P-C4' energy: -163.178 flat angles C4'-P-C4' energy: -187.010 flat angles P-C4'-P energy: -129.401 tors. eta vs tors. theta energy: -233.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2963.867846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.867846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.867846 (E_RNA) where: Base-Base interactions energy: -2115.194 where: short stacking energy: -899.876 Base-Backbone interact. energy: -1.146 local terms energy: -847.528143 where: bonds (distance) C4'-P energy: -146.874 bonds (distance) P-C4' energy: -149.290 flat angles C4'-P-C4' energy: -191.282 flat angles P-C4'-P energy: -118.221 tors. eta vs tors. theta energy: -241.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2855.572720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.572720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.572720 (E_RNA) where: Base-Base interactions energy: -1999.963 where: short stacking energy: -859.845 Base-Backbone interact. energy: -2.666 local terms energy: -852.944251 where: bonds (distance) C4'-P energy: -156.602 bonds (distance) P-C4' energy: -156.863 flat angles C4'-P-C4' energy: -175.569 flat angles P-C4'-P energy: -118.983 tors. eta vs tors. theta energy: -244.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2785.710863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.710863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.710863 (E_RNA) where: Base-Base interactions energy: -2001.027 where: short stacking energy: -848.642 Base-Backbone interact. energy: -5.229 local terms energy: -779.455012 where: bonds (distance) C4'-P energy: -137.401 bonds (distance) P-C4' energy: -139.297 flat angles C4'-P-C4' energy: -172.902 flat angles P-C4'-P energy: -119.995 tors. eta vs tors. theta energy: -209.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2650.303764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.303764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.303764 (E_RNA) where: Base-Base interactions energy: -1883.663 where: short stacking energy: -815.008 Base-Backbone interact. energy: -2.840 local terms energy: -763.799974 where: bonds (distance) C4'-P energy: -134.559 bonds (distance) P-C4' energy: -128.755 flat angles C4'-P-C4' energy: -165.178 flat angles P-C4'-P energy: -111.332 tors. eta vs tors. theta energy: -223.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2437.074070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.074070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.074070 (E_RNA) where: Base-Base interactions energy: -1707.821 where: short stacking energy: -728.710 Base-Backbone interact. energy: -2.002 local terms energy: -727.250934 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -150.959 flat angles C4'-P-C4' energy: -160.951 flat angles P-C4'-P energy: -107.466 tors. eta vs tors. theta energy: -190.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2328.408572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.408572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.408572 (E_RNA) where: Base-Base interactions energy: -1639.101 where: short stacking energy: -715.895 Base-Backbone interact. energy: -1.961 local terms energy: -687.347326 where: bonds (distance) C4'-P energy: -126.094 bonds (distance) P-C4' energy: -135.259 flat angles C4'-P-C4' energy: -163.558 flat angles P-C4'-P energy: -81.595 tors. eta vs tors. theta energy: -180.841 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: 8, replica: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2027.008486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.008486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.008486 (E_RNA) where: Base-Base interactions energy: -1398.839 where: short stacking energy: -615.390 Base-Backbone interact. energy: -1.076 local terms energy: -627.094038 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -140.749 flat angles C4'-P-C4' energy: -144.990 flat angles P-C4'-P energy: -86.732 tors. eta vs tors. theta energy: -135.572 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: 391 Temperature: 1.300000 Total energy: -1868.210000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.210000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.210000 (E_RNA) where: Base-Base interactions energy: -1274.968 where: short stacking energy: -533.081 Base-Backbone interact. energy: -0.320 local terms energy: -592.921888 where: bonds (distance) C4'-P energy: -137.016 bonds (distance) P-C4' energy: -127.545 flat angles C4'-P-C4' energy: -148.263 flat angles P-C4'-P energy: -79.760 tors. eta vs tors. theta energy: -100.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1282.557945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.557945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.557945 (E_RNA) where: Base-Base interactions energy: -813.135 where: short stacking energy: -375.043 Base-Backbone interact. energy: 1.024 local terms energy: -470.447467 where: bonds (distance) C4'-P energy: -127.104 bonds (distance) P-C4' energy: -127.903 flat angles C4'-P-C4' energy: -117.581 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -32.695 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: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3081.269692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.269692 (E_RNA) where: Base-Base interactions energy: -2188.293 where: short stacking energy: -928.528 Base-Backbone interact. energy: -3.895 local terms energy: -889.081394 where: bonds (distance) C4'-P energy: -156.350 bonds (distance) P-C4' energy: -165.480 flat angles C4'-P-C4' energy: -186.137 flat angles P-C4'-P energy: -132.188 tors. eta vs tors. theta energy: -248.927 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: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2987.964104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.964104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.964104 (E_RNA) where: Base-Base interactions energy: -2147.607 where: short stacking energy: -896.030 Base-Backbone interact. energy: -3.335 local terms energy: -837.022390 where: bonds (distance) C4'-P energy: -161.350 bonds (distance) P-C4' energy: -155.331 flat angles C4'-P-C4' energy: -183.035 flat angles P-C4'-P energy: -105.465 tors. eta vs tors. theta energy: -231.841 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: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2878.990030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.990030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.990030 (E_RNA) where: Base-Base interactions energy: -2058.212 where: short stacking energy: -844.028 Base-Backbone interact. energy: -2.700 local terms energy: -818.078841 where: bonds (distance) C4'-P energy: -139.860 bonds (distance) P-C4' energy: -176.547 flat angles C4'-P-C4' energy: -165.838 flat angles P-C4'-P energy: -103.134 tors. eta vs tors. theta energy: -232.701 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: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2809.819337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.819337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.819337 (E_RNA) where: Base-Base interactions energy: -2011.865 where: short stacking energy: -852.248 Base-Backbone interact. energy: -3.471 local terms energy: -794.483303 where: bonds (distance) C4'-P energy: -121.095 bonds (distance) P-C4' energy: -157.599 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -122.380 tors. eta vs tors. theta energy: -222.345 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: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2576.857742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.857742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.857742 (E_RNA) where: Base-Base interactions energy: -1818.707 where: short stacking energy: -798.934 Base-Backbone interact. energy: -0.971 local terms energy: -757.179798 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -161.345 flat angles P-C4'-P energy: -109.310 tors. eta vs tors. theta energy: -219.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2487.472968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.472968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.472968 (E_RNA) where: Base-Base interactions energy: -1761.505 where: short stacking energy: -776.015 Base-Backbone interact. energy: 0.907 local terms energy: -726.875148 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -134.085 flat angles C4'-P-C4' energy: -157.272 flat angles P-C4'-P energy: -96.974 tors. eta vs tors. theta energy: -205.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2299.075691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.075691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.075691 (E_RNA) where: Base-Base interactions energy: -1598.477 where: short stacking energy: -682.471 Base-Backbone interact. energy: -2.781 local terms energy: -697.818650 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -86.732 tors. eta vs tors. theta energy: -177.257 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: 392 Temperature: 1.250000 Total energy: -1984.953365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.953365 (E_RNA) where: Base-Base interactions energy: -1387.058 where: short stacking energy: -605.191 Base-Backbone interact. energy: 2.271 local terms energy: -600.165566 where: bonds (distance) C4'-P energy: -128.514 bonds (distance) P-C4' energy: -133.708 flat angles C4'-P-C4' energy: -138.683 flat angles P-C4'-P energy: -65.405 tors. eta vs tors. theta energy: -133.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1852.649884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.649884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.649884 (E_RNA) where: Base-Base interactions energy: -1242.268 where: short stacking energy: -546.585 Base-Backbone interact. energy: -1.644 local terms energy: -608.738450 where: bonds (distance) C4'-P energy: -119.291 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -134.366 flat angles P-C4'-P energy: -73.563 tors. eta vs tors. theta energy: -131.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1257.107152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.107152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.107152 (E_RNA) where: Base-Base interactions energy: -803.022 where: short stacking energy: -377.152 Base-Backbone interact. energy: 0.161 local terms energy: -454.247003 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -120.907 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -82.779 tors. eta vs tors. theta energy: -35.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3040.035005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.035005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.035005 (E_RNA) where: Base-Base interactions energy: -2175.375 where: short stacking energy: -911.839 Base-Backbone interact. energy: -4.376 local terms energy: -860.284176 where: bonds (distance) C4'-P energy: -148.554 bonds (distance) P-C4' energy: -157.530 flat angles C4'-P-C4' energy: -183.522 flat angles P-C4'-P energy: -122.702 tors. eta vs tors. theta energy: -247.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2985.830885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.830885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.830885 (E_RNA) where: Base-Base interactions energy: -2125.300 where: short stacking energy: -864.721 Base-Backbone interact. energy: -5.844 local terms energy: -854.686254 where: bonds (distance) C4'-P energy: -145.924 bonds (distance) P-C4' energy: -165.034 flat angles C4'-P-C4' energy: -183.687 flat angles P-C4'-P energy: -125.931 tors. eta vs tors. theta energy: -234.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2843.398078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.398078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.398078 (E_RNA) where: Base-Base interactions energy: -2033.960 where: short stacking energy: -856.596 Base-Backbone interact. energy: -1.933 local terms energy: -807.504913 where: bonds (distance) C4'-P energy: -139.443 bonds (distance) P-C4' energy: -143.620 flat angles C4'-P-C4' energy: -178.651 flat angles P-C4'-P energy: -107.059 tors. eta vs tors. theta energy: -238.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2801.160537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.160537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.160537 (E_RNA) where: Base-Base interactions energy: -2006.448 where: short stacking energy: -815.660 Base-Backbone interact. energy: -3.213 local terms energy: -791.499911 where: bonds (distance) C4'-P energy: -142.808 bonds (distance) P-C4' energy: -152.076 flat angles C4'-P-C4' energy: -165.638 flat angles P-C4'-P energy: -120.416 tors. eta vs tors. theta energy: -210.561 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: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2534.784294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.784294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.784294 (E_RNA) where: Base-Base interactions energy: -1759.849 where: short stacking energy: -769.393 Base-Backbone interact. energy: -5.075 local terms energy: -769.860710 where: bonds (distance) C4'-P energy: -150.935 bonds (distance) P-C4' energy: -125.662 flat angles C4'-P-C4' energy: -165.011 flat angles P-C4'-P energy: -130.538 tors. eta vs tors. theta energy: -197.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2508.697793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.697793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.697793 (E_RNA) where: Base-Base interactions energy: -1794.796 where: short stacking energy: -739.934 Base-Backbone interact. energy: 1.210 local terms energy: -715.111887 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -139.554 flat angles C4'-P-C4' energy: -162.798 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -188.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2344.761189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.761189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.761189 (E_RNA) where: Base-Base interactions energy: -1666.195 where: short stacking energy: -711.405 Base-Backbone interact. energy: -0.610 local terms energy: -677.955970 where: bonds (distance) C4'-P energy: -109.208 bonds (distance) P-C4' energy: -140.635 flat angles C4'-P-C4' energy: -148.133 flat angles P-C4'-P energy: -103.306 tors. eta vs tors. theta energy: -176.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -2029.717154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.717154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.717154 (E_RNA) where: Base-Base interactions energy: -1394.170 where: short stacking energy: -596.196 Base-Backbone interact. energy: -1.302 local terms energy: -634.245568 where: bonds (distance) C4'-P energy: -139.174 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -143.882 flat angles P-C4'-P energy: -77.948 tors. eta vs tors. theta energy: -141.593 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: 393 Temperature: 1.300000 Total energy: -1903.426872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.426872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.426872 (E_RNA) where: Base-Base interactions energy: -1328.327 where: short stacking energy: -554.565 Base-Backbone interact. energy: -2.494 local terms energy: -572.605619 where: bonds (distance) C4'-P energy: -103.117 bonds (distance) P-C4' energy: -138.659 flat angles C4'-P-C4' energy: -116.553 flat angles P-C4'-P energy: -83.169 tors. eta vs tors. theta energy: -131.109 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: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1316.988480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.988480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.988480 (E_RNA) where: Base-Base interactions energy: -857.399 where: short stacking energy: -406.030 Base-Backbone interact. energy: 6.742 local terms energy: -466.331832 where: bonds (distance) C4'-P energy: -129.051 bonds (distance) P-C4' energy: -129.325 flat angles C4'-P-C4' energy: -118.800 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -39.920 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: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3013.872116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.872116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.872116 (E_RNA) where: Base-Base interactions energy: -2147.928 where: short stacking energy: -895.513 Base-Backbone interact. energy: -2.024 local terms energy: -863.919776 where: bonds (distance) C4'-P energy: -155.221 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -183.627 flat angles P-C4'-P energy: -132.149 tors. eta vs tors. theta energy: -245.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2971.814456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.814456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.814456 (E_RNA) where: Base-Base interactions energy: -2117.545 where: short stacking energy: -859.503 Base-Backbone interact. energy: -0.273 local terms energy: -853.996428 where: bonds (distance) C4'-P energy: -147.316 bonds (distance) P-C4' energy: -172.833 flat angles C4'-P-C4' energy: -187.854 flat angles P-C4'-P energy: -112.302 tors. eta vs tors. theta energy: -233.692 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: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2856.133223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.133223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.133223 (E_RNA) where: Base-Base interactions energy: -2025.682 where: short stacking energy: -829.097 Base-Backbone interact. energy: -3.034 local terms energy: -827.417441 where: bonds (distance) C4'-P energy: -140.368 bonds (distance) P-C4' energy: -158.325 flat angles C4'-P-C4' energy: -175.335 flat angles P-C4'-P energy: -111.915 tors. eta vs tors. theta energy: -241.475 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: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2775.553726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.553726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.553726 (E_RNA) where: Base-Base interactions energy: -1967.694 where: short stacking energy: -810.696 Base-Backbone interact. energy: -2.718 local terms energy: -805.142452 where: bonds (distance) C4'-P energy: -156.145 bonds (distance) P-C4' energy: -137.255 flat angles C4'-P-C4' energy: -185.403 flat angles P-C4'-P energy: -117.265 tors. eta vs tors. theta energy: -209.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2565.542265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.542265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.542265 (E_RNA) where: Base-Base interactions energy: -1801.892 where: short stacking energy: -771.403 Base-Backbone interact. energy: -7.001 local terms energy: -756.649160 where: bonds (distance) C4'-P energy: -122.340 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -171.496 flat angles P-C4'-P energy: -112.438 tors. eta vs tors. theta energy: -215.717 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: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2474.910001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.910001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.910001 (E_RNA) where: Base-Base interactions energy: -1754.119 where: short stacking energy: -760.949 Base-Backbone interact. energy: -3.558 local terms energy: -717.233085 where: bonds (distance) C4'-P energy: -104.919 bonds (distance) P-C4' energy: -133.917 flat angles C4'-P-C4' energy: -157.222 flat angles P-C4'-P energy: -115.845 tors. eta vs tors. theta energy: -205.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2365.979668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.979668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.979668 (E_RNA) where: Base-Base interactions energy: -1696.395 where: short stacking energy: -715.090 Base-Backbone interact. energy: -1.608 local terms energy: -667.976868 where: bonds (distance) C4'-P energy: -124.709 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -159.405 flat angles P-C4'-P energy: -86.413 tors. eta vs tors. theta energy: -183.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2033.287644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.287644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.287644 (E_RNA) where: Base-Base interactions energy: -1425.938 where: short stacking energy: -603.167 Base-Backbone interact. energy: -1.497 local terms energy: -605.852021 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -135.321 flat angles C4'-P-C4' energy: -152.793 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -140.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1930.181709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.181709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.181709 (E_RNA) where: Base-Base interactions energy: -1321.737 where: short stacking energy: -562.324 Base-Backbone interact. energy: -2.560 local terms energy: -605.884647 where: bonds (distance) C4'-P energy: -110.500 bonds (distance) P-C4' energy: -130.389 flat angles C4'-P-C4' energy: -148.577 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -130.141 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: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1306.383124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.383124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.383124 (E_RNA) where: Base-Base interactions energy: -805.971 where: short stacking energy: -364.494 Base-Backbone interact. energy: -2.035 local terms energy: -498.376989 where: bonds (distance) C4'-P energy: -102.303 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -135.749 flat angles P-C4'-P energy: -81.646 tors. eta vs tors. theta energy: -30.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3042.681680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.681680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.681680 (E_RNA) where: Base-Base interactions energy: -2164.399 where: short stacking energy: -906.023 Base-Backbone interact. energy: -6.953 local terms energy: -871.329752 where: bonds (distance) C4'-P energy: -149.738 bonds (distance) P-C4' energy: -166.274 flat angles C4'-P-C4' energy: -182.094 flat angles P-C4'-P energy: -131.467 tors. eta vs tors. theta energy: -241.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2967.535597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.535597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.535597 (E_RNA) where: Base-Base interactions energy: -2123.062 where: short stacking energy: -904.828 Base-Backbone interact. energy: -1.704 local terms energy: -842.769305 where: bonds (distance) C4'-P energy: -134.140 bonds (distance) P-C4' energy: -144.961 flat angles C4'-P-C4' energy: -189.993 flat angles P-C4'-P energy: -132.834 tors. eta vs tors. theta energy: -240.841 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: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2846.279363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.279363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.279363 (E_RNA) where: Base-Base interactions energy: -2017.131 where: short stacking energy: -847.127 Base-Backbone interact. energy: -4.420 local terms energy: -824.728855 where: bonds (distance) C4'-P energy: -151.465 bonds (distance) P-C4' energy: -147.674 flat angles C4'-P-C4' energy: -171.477 flat angles P-C4'-P energy: -110.632 tors. eta vs tors. theta energy: -243.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2802.750162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.750162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.750162 (E_RNA) where: Base-Base interactions energy: -1991.953 where: short stacking energy: -809.925 Base-Backbone interact. energy: -4.297 local terms energy: -806.500740 where: bonds (distance) C4'-P energy: -155.586 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -179.442 flat angles P-C4'-P energy: -118.273 tors. eta vs tors. theta energy: -205.237 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: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2611.782030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.782030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.782030 (E_RNA) where: Base-Base interactions energy: -1831.610 where: short stacking energy: -797.142 Base-Backbone interact. energy: -3.618 local terms energy: -776.554334 where: bonds (distance) C4'-P energy: -137.422 bonds (distance) P-C4' energy: -149.954 flat angles C4'-P-C4' energy: -161.688 flat angles P-C4'-P energy: -105.977 tors. eta vs tors. theta energy: -221.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2482.384758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.384758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.384758 (E_RNA) where: Base-Base interactions energy: -1749.016 where: short stacking energy: -735.556 Base-Backbone interact. energy: -1.183 local terms energy: -732.185333 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -138.394 flat angles C4'-P-C4' energy: -169.091 flat angles P-C4'-P energy: -91.328 tors. eta vs tors. theta energy: -206.450 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: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2369.964798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.964798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.964798 (E_RNA) where: Base-Base interactions energy: -1687.770 where: short stacking energy: -695.232 Base-Backbone interact. energy: 2.848 local terms energy: -685.042171 where: bonds (distance) C4'-P energy: -129.431 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -142.382 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -185.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2089.987812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.987812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.987812 (E_RNA) where: Base-Base interactions energy: -1449.482 where: short stacking energy: -599.828 Base-Backbone interact. energy: -1.530 local terms energy: -638.975860 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -144.414 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -85.496 tors. eta vs tors. theta energy: -138.015 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: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1935.582729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.582729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.582729 (E_RNA) where: Base-Base interactions energy: -1346.129 where: short stacking energy: -553.578 Base-Backbone interact. energy: -4.339 local terms energy: -585.113825 where: bonds (distance) C4'-P energy: -126.433 bonds (distance) P-C4' energy: -122.321 flat angles C4'-P-C4' energy: -142.771 flat angles P-C4'-P energy: -83.792 tors. eta vs tors. theta energy: -109.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1288.330840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.330840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.330840 (E_RNA) where: Base-Base interactions energy: -777.003 where: short stacking energy: -378.589 Base-Backbone interact. energy: 1.818 local terms energy: -513.145390 where: bonds (distance) C4'-P energy: -119.828 bonds (distance) P-C4' energy: -152.064 flat angles C4'-P-C4' energy: -125.815 flat angles P-C4'-P energy: -79.589 tors. eta vs tors. theta energy: -35.849 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: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3045.676049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.676049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.676049 (E_RNA) where: Base-Base interactions energy: -2179.141 where: short stacking energy: -937.992 Base-Backbone interact. energy: -4.958 local terms energy: -861.576756 where: bonds (distance) C4'-P energy: -156.843 bonds (distance) P-C4' energy: -154.120 flat angles C4'-P-C4' energy: -183.781 flat angles P-C4'-P energy: -117.556 tors. eta vs tors. theta energy: -249.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2960.620630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.620630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.620630 (E_RNA) where: Base-Base interactions energy: -2113.760 where: short stacking energy: -889.559 Base-Backbone interact. energy: -0.688 local terms energy: -846.172798 where: bonds (distance) C4'-P energy: -160.110 bonds (distance) P-C4' energy: -157.103 flat angles C4'-P-C4' energy: -180.499 flat angles P-C4'-P energy: -109.972 tors. eta vs tors. theta energy: -238.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2865.603874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.603874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.603874 (E_RNA) where: Base-Base interactions energy: -2041.314 where: short stacking energy: -855.103 Base-Backbone interact. energy: -2.732 local terms energy: -821.557928 where: bonds (distance) C4'-P energy: -145.119 bonds (distance) P-C4' energy: -161.478 flat angles C4'-P-C4' energy: -174.207 flat angles P-C4'-P energy: -109.622 tors. eta vs tors. theta energy: -231.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2799.190177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.190177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.190177 (E_RNA) where: Base-Base interactions energy: -1979.684 where: short stacking energy: -827.942 Base-Backbone interact. energy: -4.139 local terms energy: -815.366708 where: bonds (distance) C4'-P energy: -152.675 bonds (distance) P-C4' energy: -150.599 flat angles C4'-P-C4' energy: -163.509 flat angles P-C4'-P energy: -135.188 tors. eta vs tors. theta energy: -213.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2560.717130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.717130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.717130 (E_RNA) where: Base-Base interactions energy: -1794.038 where: short stacking energy: -802.172 Base-Backbone interact. energy: -2.516 local terms energy: -764.162855 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -148.113 flat angles C4'-P-C4' energy: -169.607 flat angles P-C4'-P energy: -110.470 tors. eta vs tors. theta energy: -219.253 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: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2482.592923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.592923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.592923 (E_RNA) where: Base-Base interactions energy: -1753.370 where: short stacking energy: -747.068 Base-Backbone interact. energy: -4.571 local terms energy: -724.651928 where: bonds (distance) C4'-P energy: -125.613 bonds (distance) P-C4' energy: -135.599 flat angles C4'-P-C4' energy: -163.248 flat angles P-C4'-P energy: -101.833 tors. eta vs tors. theta energy: -198.359 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: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2376.494109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.494109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.494109 (E_RNA) where: Base-Base interactions energy: -1669.016 where: short stacking energy: -687.256 Base-Backbone interact. energy: -4.280 local terms energy: -703.197668 where: bonds (distance) C4'-P energy: -146.854 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -146.415 flat angles P-C4'-P energy: -114.046 tors. eta vs tors. theta energy: -169.137 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: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2042.348945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.348945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.348945 (E_RNA) where: Base-Base interactions energy: -1437.603 where: short stacking energy: -627.909 Base-Backbone interact. energy: -3.948 local terms energy: -600.797563 where: bonds (distance) C4'-P energy: -105.974 bonds (distance) P-C4' energy: -134.005 flat angles C4'-P-C4' energy: -139.182 flat angles P-C4'-P energy: -85.079 tors. eta vs tors. theta energy: -136.558 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: 396 Temperature: 1.300000 Total energy: -1864.668598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.668598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.668598 (E_RNA) where: Base-Base interactions energy: -1257.069 where: short stacking energy: -538.795 Base-Backbone interact. energy: -0.597 local terms energy: -607.003058 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -145.503 flat angles C4'-P-C4' energy: -143.862 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -106.892 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: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1319.195912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.195912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.195912 (E_RNA) where: Base-Base interactions energy: -817.067 where: short stacking energy: -384.020 Base-Backbone interact. energy: 0.931 local terms energy: -503.059850 where: bonds (distance) C4'-P energy: -152.206 bonds (distance) P-C4' energy: -121.143 flat angles C4'-P-C4' energy: -112.800 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -45.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3070.314996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.314996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.314996 (E_RNA) where: Base-Base interactions energy: -2178.057 where: short stacking energy: -909.637 Base-Backbone interact. energy: -1.581 local terms energy: -890.677148 where: bonds (distance) C4'-P energy: -166.826 bonds (distance) P-C4' energy: -159.337 flat angles C4'-P-C4' energy: -188.148 flat angles P-C4'-P energy: -122.281 tors. eta vs tors. theta energy: -254.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2971.098196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.098196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.098196 (E_RNA) where: Base-Base interactions energy: -2129.686 where: short stacking energy: -883.612 Base-Backbone interact. energy: -4.102 local terms energy: -837.310055 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -151.031 flat angles C4'-P-C4' energy: -184.789 flat angles P-C4'-P energy: -110.554 tors. eta vs tors. theta energy: -238.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2886.375694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.375694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.375694 (E_RNA) where: Base-Base interactions energy: -2086.937 where: short stacking energy: -860.524 Base-Backbone interact. energy: -3.318 local terms energy: -796.120537 where: bonds (distance) C4'-P energy: -118.348 bonds (distance) P-C4' energy: -143.172 flat angles C4'-P-C4' energy: -177.868 flat angles P-C4'-P energy: -116.586 tors. eta vs tors. theta energy: -240.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2752.410611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.410611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.410611 (E_RNA) where: Base-Base interactions energy: -2000.766 where: short stacking energy: -821.596 Base-Backbone interact. energy: -0.216 local terms energy: -751.428364 where: bonds (distance) C4'-P energy: -124.579 bonds (distance) P-C4' energy: -151.466 flat angles C4'-P-C4' energy: -176.039 flat angles P-C4'-P energy: -97.218 tors. eta vs tors. theta energy: -202.126 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: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2521.664637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.664637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.664637 (E_RNA) where: Base-Base interactions energy: -1753.036 where: short stacking energy: -764.117 Base-Backbone interact. energy: -4.658 local terms energy: -763.970790 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -143.843 flat angles C4'-P-C4' energy: -161.891 flat angles P-C4'-P energy: -103.468 tors. eta vs tors. theta energy: -208.500 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: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2479.600130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.600130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.600130 (E_RNA) where: Base-Base interactions energy: -1733.450 where: short stacking energy: -756.400 Base-Backbone interact. energy: 3.082 local terms energy: -749.232100 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -144.762 flat angles C4'-P-C4' energy: -175.254 flat angles P-C4'-P energy: -102.659 tors. eta vs tors. theta energy: -202.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2338.578565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.578565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.578565 (E_RNA) where: Base-Base interactions energy: -1685.098 where: short stacking energy: -692.018 Base-Backbone interact. energy: -2.971 local terms energy: -650.508875 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -136.385 flat angles C4'-P-C4' energy: -133.884 flat angles P-C4'-P energy: -75.254 tors. eta vs tors. theta energy: -173.672 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: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2061.165835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.165835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.165835 (E_RNA) where: Base-Base interactions energy: -1404.144 where: short stacking energy: -598.921 Base-Backbone interact. energy: 3.292 local terms energy: -660.313973 where: bonds (distance) C4'-P energy: -138.128 bonds (distance) P-C4' energy: -121.824 flat angles C4'-P-C4' energy: -155.446 flat angles P-C4'-P energy: -107.279 tors. eta vs tors. theta energy: -137.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1919.309746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.309746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.309746 (E_RNA) where: Base-Base interactions energy: -1311.356 where: short stacking energy: -545.101 Base-Backbone interact. energy: -1.873 local terms energy: -606.081042 where: bonds (distance) C4'-P energy: -140.515 bonds (distance) P-C4' energy: -127.776 flat angles C4'-P-C4' energy: -135.087 flat angles P-C4'-P energy: -80.901 tors. eta vs tors. theta energy: -121.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1243.701655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.701655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.701655 (E_RNA) where: Base-Base interactions energy: -792.956 where: short stacking energy: -368.097 Base-Backbone interact. energy: 12.404 local terms energy: -463.150005 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -113.938 flat angles C4'-P-C4' energy: -140.655 flat angles P-C4'-P energy: -65.235 tors. eta vs tors. theta energy: -32.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3037.023248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.023248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.023248 (E_RNA) where: Base-Base interactions energy: -2169.693 where: short stacking energy: -897.725 Base-Backbone interact. energy: -2.176 local terms energy: -865.154485 where: bonds (distance) C4'-P energy: -154.349 bonds (distance) P-C4' energy: -165.921 flat angles C4'-P-C4' energy: -178.724 flat angles P-C4'-P energy: -122.550 tors. eta vs tors. theta energy: -243.611 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: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2964.422871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.422871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.422871 (E_RNA) where: Base-Base interactions energy: -2108.096 where: short stacking energy: -876.171 Base-Backbone interact. energy: 3.281 local terms energy: -859.607954 where: bonds (distance) C4'-P energy: -159.221 bonds (distance) P-C4' energy: -154.837 flat angles C4'-P-C4' energy: -182.680 flat angles P-C4'-P energy: -130.994 tors. eta vs tors. theta energy: -231.875 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2889.558820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.558820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.558820 (E_RNA) where: Base-Base interactions energy: -2058.285 where: short stacking energy: -852.031 Base-Backbone interact. energy: -5.322 local terms energy: -825.952150 where: bonds (distance) C4'-P energy: -146.346 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -169.031 flat angles P-C4'-P energy: -123.584 tors. eta vs tors. theta energy: -234.037 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2724.538992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.538992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.538992 (E_RNA) where: Base-Base interactions energy: -1964.199 where: short stacking energy: -801.748 Base-Backbone interact. energy: -3.555 local terms energy: -756.785299 where: bonds (distance) C4'-P energy: -126.439 bonds (distance) P-C4' energy: -147.902 flat angles C4'-P-C4' energy: -169.979 flat angles P-C4'-P energy: -120.175 tors. eta vs tors. theta energy: -192.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2574.781765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.781765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.781765 (E_RNA) where: Base-Base interactions energy: -1768.645 where: short stacking energy: -782.476 Base-Backbone interact. energy: -4.400 local terms energy: -801.737445 where: bonds (distance) C4'-P energy: -138.581 bonds (distance) P-C4' energy: -147.796 flat angles C4'-P-C4' energy: -178.290 flat angles P-C4'-P energy: -110.467 tors. eta vs tors. theta energy: -226.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2520.274623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.274623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.274623 (E_RNA) where: Base-Base interactions energy: -1779.009 where: short stacking energy: -773.109 Base-Backbone interact. energy: -2.940 local terms energy: -738.325335 where: bonds (distance) C4'-P energy: -139.099 bonds (distance) P-C4' energy: -128.101 flat angles C4'-P-C4' energy: -158.932 flat angles P-C4'-P energy: -99.580 tors. eta vs tors. theta energy: -212.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2314.179480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.179480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.179480 (E_RNA) where: Base-Base interactions energy: -1631.409 where: short stacking energy: -662.242 Base-Backbone interact. energy: -3.578 local terms energy: -679.192232 where: bonds (distance) C4'-P energy: -113.785 bonds (distance) P-C4' energy: -160.003 flat angles C4'-P-C4' energy: -165.146 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -156.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2071.692180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.692180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.692180 (E_RNA) where: Base-Base interactions energy: -1429.172 where: short stacking energy: -612.244 Base-Backbone interact. energy: 2.017 local terms energy: -644.537339 where: bonds (distance) C4'-P energy: -132.151 bonds (distance) P-C4' energy: -132.045 flat angles C4'-P-C4' energy: -140.111 flat angles P-C4'-P energy: -103.983 tors. eta vs tors. theta energy: -136.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1907.283815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.283815 (E_RNA) where: Base-Base interactions energy: -1314.275 where: short stacking energy: -582.678 Base-Backbone interact. energy: -1.417 local terms energy: -591.592217 where: bonds (distance) C4'-P energy: -110.800 bonds (distance) P-C4' energy: -122.631 flat angles C4'-P-C4' energy: -151.456 flat angles P-C4'-P energy: -88.557 tors. eta vs tors. theta energy: -118.148 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1340.003024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.003024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.003024 (E_RNA) where: Base-Base interactions energy: -877.052 where: short stacking energy: -408.823 Base-Backbone interact. energy: 0.330 local terms energy: -463.280712 where: bonds (distance) C4'-P energy: -103.393 bonds (distance) P-C4' energy: -127.572 flat angles C4'-P-C4' energy: -123.835 flat angles P-C4'-P energy: -55.608 tors. eta vs tors. theta energy: -52.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3036.750850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.750850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.750850 (E_RNA) where: Base-Base interactions energy: -2152.117 where: short stacking energy: -891.836 Base-Backbone interact. energy: -2.778 local terms energy: -881.854935 where: bonds (distance) C4'-P energy: -150.291 bonds (distance) P-C4' energy: -169.884 flat angles C4'-P-C4' energy: -177.685 flat angles P-C4'-P energy: -139.966 tors. eta vs tors. theta energy: -244.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2963.051500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.051500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.051500 (E_RNA) where: Base-Base interactions energy: -2103.998 where: short stacking energy: -861.122 Base-Backbone interact. energy: 2.766 local terms energy: -861.819809 where: bonds (distance) C4'-P energy: -155.443 bonds (distance) P-C4' energy: -163.291 flat angles C4'-P-C4' energy: -186.618 flat angles P-C4'-P energy: -120.280 tors. eta vs tors. theta energy: -236.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2867.651102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.651102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.651102 (E_RNA) where: Base-Base interactions energy: -2063.692 where: short stacking energy: -853.361 Base-Backbone interact. energy: -1.594 local terms energy: -802.365183 where: bonds (distance) C4'-P energy: -154.406 bonds (distance) P-C4' energy: -151.266 flat angles C4'-P-C4' energy: -151.676 flat angles P-C4'-P energy: -114.828 tors. eta vs tors. theta energy: -230.189 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: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2758.939556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.939556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.939556 (E_RNA) where: Base-Base interactions energy: -1981.774 where: short stacking energy: -807.076 Base-Backbone interact. energy: -6.852 local terms energy: -770.312705 where: bonds (distance) C4'-P energy: -143.461 bonds (distance) P-C4' energy: -152.052 flat angles C4'-P-C4' energy: -164.405 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -202.426 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: 5, replica: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2528.838919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.838919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.838919 (E_RNA) where: Base-Base interactions energy: -1773.005 where: short stacking energy: -791.900 Base-Backbone interact. energy: -4.845 local terms energy: -750.988738 where: bonds (distance) C4'-P energy: -142.451 bonds (distance) P-C4' energy: -137.756 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -110.774 tors. eta vs tors. theta energy: -206.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2523.297830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.297830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.297830 (E_RNA) where: Base-Base interactions energy: -1747.962 where: short stacking energy: -770.078 Base-Backbone interact. energy: -2.440 local terms energy: -772.895772 where: bonds (distance) C4'-P energy: -139.199 bonds (distance) P-C4' energy: -135.504 flat angles C4'-P-C4' energy: -160.839 flat angles P-C4'-P energy: -120.949 tors. eta vs tors. theta energy: -216.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2303.134379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.134379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.134379 (E_RNA) where: Base-Base interactions energy: -1618.554 where: short stacking energy: -713.166 Base-Backbone interact. energy: -4.426 local terms energy: -680.154190 where: bonds (distance) C4'-P energy: -132.866 bonds (distance) P-C4' energy: -129.650 flat angles C4'-P-C4' energy: -146.429 flat angles P-C4'-P energy: -94.112 tors. eta vs tors. theta energy: -177.098 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: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2067.814890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.814890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.814890 (E_RNA) where: Base-Base interactions energy: -1411.830 where: short stacking energy: -615.295 Base-Backbone interact. energy: -3.031 local terms energy: -652.953440 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -145.445 flat angles C4'-P-C4' energy: -143.582 flat angles P-C4'-P energy: -85.511 tors. eta vs tors. theta energy: -154.881 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: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1850.921199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.921199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.921199 (E_RNA) where: Base-Base interactions energy: -1257.219 where: short stacking energy: -569.256 Base-Backbone interact. energy: 6.563 local terms energy: -600.265253 where: bonds (distance) C4'-P energy: -94.576 bonds (distance) P-C4' energy: -134.607 flat angles C4'-P-C4' energy: -156.594 flat angles P-C4'-P energy: -81.456 tors. eta vs tors. theta energy: -133.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1343.439103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.439103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.439103 (E_RNA) where: Base-Base interactions energy: -855.805 where: short stacking energy: -423.404 Base-Backbone interact. energy: 4.709 local terms energy: -492.343151 where: bonds (distance) C4'-P energy: -106.892 bonds (distance) P-C4' energy: -142.602 flat angles C4'-P-C4' energy: -116.666 flat angles P-C4'-P energy: -76.754 tors. eta vs tors. theta energy: -49.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3063.338956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.338956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.338956 (E_RNA) where: Base-Base interactions energy: -2194.697 where: short stacking energy: -919.830 Base-Backbone interact. energy: 0.190 local terms energy: -868.831944 where: bonds (distance) C4'-P energy: -148.630 bonds (distance) P-C4' energy: -159.839 flat angles C4'-P-C4' energy: -191.197 flat angles P-C4'-P energy: -125.237 tors. eta vs tors. theta energy: -243.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2976.450193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.450193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.450193 (E_RNA) where: Base-Base interactions energy: -2106.782 where: short stacking energy: -893.368 Base-Backbone interact. energy: 0.478 local terms energy: -870.145988 where: bonds (distance) C4'-P energy: -151.279 bonds (distance) P-C4' energy: -162.840 flat angles C4'-P-C4' energy: -190.519 flat angles P-C4'-P energy: -123.931 tors. eta vs tors. theta energy: -241.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2868.436498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.436498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.436498 (E_RNA) where: Base-Base interactions energy: -2046.501 where: short stacking energy: -839.388 Base-Backbone interact. energy: 2.130 local terms energy: -824.066294 where: bonds (distance) C4'-P energy: -146.552 bonds (distance) P-C4' energy: -151.200 flat angles C4'-P-C4' energy: -173.718 flat angles P-C4'-P energy: -111.780 tors. eta vs tors. theta energy: -240.816 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2748.526524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.526524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.526524 (E_RNA) where: Base-Base interactions energy: -1957.752 where: short stacking energy: -781.900 Base-Backbone interact. energy: 1.970 local terms energy: -792.744939 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -167.434 flat angles C4'-P-C4' energy: -173.833 flat angles P-C4'-P energy: -120.613 tors. eta vs tors. theta energy: -192.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2571.079707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.079707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.079707 (E_RNA) where: Base-Base interactions energy: -1796.524 where: short stacking energy: -798.767 Base-Backbone interact. energy: -2.266 local terms energy: -772.290073 where: bonds (distance) C4'-P energy: -132.244 bonds (distance) P-C4' energy: -157.867 flat angles C4'-P-C4' energy: -161.373 flat angles P-C4'-P energy: -102.879 tors. eta vs tors. theta energy: -217.926 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: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2557.993254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.993254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.993254 (E_RNA) where: Base-Base interactions energy: -1784.499 where: short stacking energy: -779.728 Base-Backbone interact. energy: -2.564 local terms energy: -770.930232 where: bonds (distance) C4'-P energy: -138.988 bonds (distance) P-C4' energy: -142.901 flat angles C4'-P-C4' energy: -173.509 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -210.707 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: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2249.949489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.949489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.949489 (E_RNA) where: Base-Base interactions energy: -1552.154 where: short stacking energy: -633.921 Base-Backbone interact. energy: -2.006 local terms energy: -695.789735 where: bonds (distance) C4'-P energy: -146.591 bonds (distance) P-C4' energy: -133.583 flat angles C4'-P-C4' energy: -165.342 flat angles P-C4'-P energy: -104.172 tors. eta vs tors. theta energy: -146.102 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: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2065.235734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.235734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.235734 (E_RNA) where: Base-Base interactions energy: -1436.536 where: short stacking energy: -605.088 Base-Backbone interact. energy: -0.157 local terms energy: -628.543209 where: bonds (distance) C4'-P energy: -132.133 bonds (distance) P-C4' energy: -129.217 flat angles C4'-P-C4' energy: -149.396 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -142.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1899.027009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.027009 (E_RNA) where: Base-Base interactions energy: -1309.966 where: short stacking energy: -559.942 Base-Backbone interact. energy: -2.988 local terms energy: -586.073548 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -134.112 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1423.646592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.646592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.646592 (E_RNA) where: Base-Base interactions energy: -920.363 where: short stacking energy: -419.580 Base-Backbone interact. energy: -3.330 local terms energy: -499.953087 where: bonds (distance) C4'-P energy: -127.005 bonds (distance) P-C4' energy: -135.779 flat angles C4'-P-C4' energy: -120.039 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: -55.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3068.097081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.097081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.097081 (E_RNA) where: Base-Base interactions energy: -2192.476 where: short stacking energy: -939.902 Base-Backbone interact. energy: -2.360 local terms energy: -873.260612 where: bonds (distance) C4'-P energy: -133.798 bonds (distance) P-C4' energy: -179.304 flat angles C4'-P-C4' energy: -188.603 flat angles P-C4'-P energy: -109.035 tors. eta vs tors. theta energy: -262.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -3009.409986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.409986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.409986 (E_RNA) where: Base-Base interactions energy: -2152.969 where: short stacking energy: -896.776 Base-Backbone interact. energy: -4.440 local terms energy: -852.001231 where: bonds (distance) C4'-P energy: -137.644 bonds (distance) P-C4' energy: -160.187 flat angles C4'-P-C4' energy: -183.167 flat angles P-C4'-P energy: -123.892 tors. eta vs tors. theta energy: -247.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2894.187258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.187258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.187258 (E_RNA) where: Base-Base interactions energy: -2069.193 where: short stacking energy: -867.122 Base-Backbone interact. energy: -5.140 local terms energy: -819.853630 where: bonds (distance) C4'-P energy: -152.076 bonds (distance) P-C4' energy: -153.112 flat angles C4'-P-C4' energy: -165.117 flat angles P-C4'-P energy: -109.282 tors. eta vs tors. theta energy: -240.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2778.109266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.109266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.109266 (E_RNA) where: Base-Base interactions energy: -2004.372 where: short stacking energy: -797.555 Base-Backbone interact. energy: -3.089 local terms energy: -770.648210 where: bonds (distance) C4'-P energy: -138.959 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -156.313 flat angles P-C4'-P energy: -108.771 tors. eta vs tors. theta energy: -202.984 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: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2568.331695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.331695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.331695 (E_RNA) where: Base-Base interactions energy: -1795.779 where: short stacking energy: -785.398 Base-Backbone interact. energy: -1.350 local terms energy: -771.202488 where: bonds (distance) C4'-P energy: -150.011 bonds (distance) P-C4' energy: -155.576 flat angles C4'-P-C4' energy: -163.103 flat angles P-C4'-P energy: -108.372 tors. eta vs tors. theta energy: -194.141 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: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2482.950054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.950054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.950054 (E_RNA) where: Base-Base interactions energy: -1699.513 where: short stacking energy: -734.042 Base-Backbone interact. energy: -5.423 local terms energy: -778.014198 where: bonds (distance) C4'-P energy: -148.358 bonds (distance) P-C4' energy: -147.605 flat angles C4'-P-C4' energy: -161.327 flat angles P-C4'-P energy: -111.420 tors. eta vs tors. theta energy: -209.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2169.863747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.863747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.863747 (E_RNA) where: Base-Base interactions energy: -1509.713 where: short stacking energy: -640.580 Base-Backbone interact. energy: 4.896 local terms energy: -665.046189 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -143.151 flat angles C4'-P-C4' energy: -148.110 flat angles P-C4'-P energy: -84.256 tors. eta vs tors. theta energy: -160.532 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: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2041.673534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.673534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.673534 (E_RNA) where: Base-Base interactions energy: -1462.318 where: short stacking energy: -619.692 Base-Backbone interact. energy: 3.262 local terms energy: -582.617794 where: bonds (distance) C4'-P energy: -120.115 bonds (distance) P-C4' energy: -118.105 flat angles C4'-P-C4' energy: -132.296 flat angles P-C4'-P energy: -77.920 tors. eta vs tors. theta energy: -134.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1865.356412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.356412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.356412 (E_RNA) where: Base-Base interactions energy: -1289.486 where: short stacking energy: -536.090 Base-Backbone interact. energy: 2.719 local terms energy: -578.589550 where: bonds (distance) C4'-P energy: -135.416 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -127.727 flat angles P-C4'-P energy: -86.829 tors. eta vs tors. theta energy: -122.224 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: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1487.326787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.326787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.326787 (E_RNA) where: Base-Base interactions energy: -964.907 where: short stacking energy: -433.881 Base-Backbone interact. energy: -2.954 local terms energy: -519.464988 where: bonds (distance) C4'-P energy: -134.806 bonds (distance) P-C4' energy: -122.021 flat angles C4'-P-C4' energy: -120.636 flat angles P-C4'-P energy: -59.849 tors. eta vs tors. theta energy: -82.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3045.854174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.854174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.854174 (E_RNA) where: Base-Base interactions energy: -2169.170 where: short stacking energy: -923.310 Base-Backbone interact. energy: -5.896 local terms energy: -870.788079 where: bonds (distance) C4'-P energy: -160.316 bonds (distance) P-C4' energy: -154.353 flat angles C4'-P-C4' energy: -184.878 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -249.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3020.707280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.707280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.707280 (E_RNA) where: Base-Base interactions energy: -2152.110 where: short stacking energy: -909.689 Base-Backbone interact. energy: -3.493 local terms energy: -865.104497 where: bonds (distance) C4'-P energy: -158.895 bonds (distance) P-C4' energy: -159.680 flat angles C4'-P-C4' energy: -190.145 flat angles P-C4'-P energy: -120.086 tors. eta vs tors. theta energy: -236.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2878.476760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.476760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.476760 (E_RNA) where: Base-Base interactions energy: -2047.631 where: short stacking energy: -849.304 Base-Backbone interact. energy: -5.283 local terms energy: -825.563259 where: bonds (distance) C4'-P energy: -146.114 bonds (distance) P-C4' energy: -160.993 flat angles C4'-P-C4' energy: -175.790 flat angles P-C4'-P energy: -101.840 tors. eta vs tors. theta energy: -240.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2717.756604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.756604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.756604 (E_RNA) where: Base-Base interactions energy: -1952.137 where: short stacking energy: -775.518 Base-Backbone interact. energy: -2.093 local terms energy: -763.526857 where: bonds (distance) C4'-P energy: -141.592 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -186.123 flat angles P-C4'-P energy: -105.378 tors. eta vs tors. theta energy: -196.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2588.258275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.258275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.258275 (E_RNA) where: Base-Base interactions energy: -1810.042 where: short stacking energy: -763.751 Base-Backbone interact. energy: -5.741 local terms energy: -772.475109 where: bonds (distance) C4'-P energy: -147.967 bonds (distance) P-C4' energy: -139.685 flat angles C4'-P-C4' energy: -176.951 flat angles P-C4'-P energy: -108.858 tors. eta vs tors. theta energy: -199.015 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: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2527.915895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.915895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.915895 (E_RNA) where: Base-Base interactions energy: -1765.929 where: short stacking energy: -746.144 Base-Backbone interact. energy: -2.492 local terms energy: -759.495417 where: bonds (distance) C4'-P energy: -147.661 bonds (distance) P-C4' energy: -116.778 flat angles C4'-P-C4' energy: -167.097 flat angles P-C4'-P energy: -110.476 tors. eta vs tors. theta energy: -217.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2184.058732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.058732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.058732 (E_RNA) where: Base-Base interactions energy: -1473.634 where: short stacking energy: -653.007 Base-Backbone interact. energy: -2.350 local terms energy: -708.075027 where: bonds (distance) C4'-P energy: -148.424 bonds (distance) P-C4' energy: -163.504 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -147.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2145.448201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.448201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.448201 (E_RNA) where: Base-Base interactions energy: -1520.133 where: short stacking energy: -647.103 Base-Backbone interact. energy: -0.725 local terms energy: -624.589547 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -133.719 flat angles C4'-P-C4' energy: -133.505 flat angles P-C4'-P energy: -101.071 tors. eta vs tors. theta energy: -138.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1945.982592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.982592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.982592 (E_RNA) where: Base-Base interactions energy: -1377.673 where: short stacking energy: -595.961 Base-Backbone interact. energy: 0.260 local terms energy: -568.569787 where: bonds (distance) C4'-P energy: -119.788 bonds (distance) P-C4' energy: -133.052 flat angles C4'-P-C4' energy: -119.197 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -134.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1294.832951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.832951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.832951 (E_RNA) where: Base-Base interactions energy: -831.206 where: short stacking energy: -402.746 Base-Backbone interact. energy: -0.718 local terms energy: -462.908960 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -138.537 flat angles C4'-P-C4' energy: -108.994 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -44.876 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: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3042.476092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.476092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.476092 (E_RNA) where: Base-Base interactions energy: -2159.931 where: short stacking energy: -932.843 Base-Backbone interact. energy: 0.717 local terms energy: -883.261563 where: bonds (distance) C4'-P energy: -145.199 bonds (distance) P-C4' energy: -157.807 flat angles C4'-P-C4' energy: -191.906 flat angles P-C4'-P energy: -126.387 tors. eta vs tors. theta energy: -261.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3028.025907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.025907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.025907 (E_RNA) where: Base-Base interactions energy: -2164.093 where: short stacking energy: -915.272 Base-Backbone interact. energy: 0.210 local terms energy: -864.142306 where: bonds (distance) C4'-P energy: -158.122 bonds (distance) P-C4' energy: -150.803 flat angles C4'-P-C4' energy: -171.025 flat angles P-C4'-P energy: -138.398 tors. eta vs tors. theta energy: -245.794 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2876.995918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.995918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.995918 (E_RNA) where: Base-Base interactions energy: -2037.086 where: short stacking energy: -836.029 Base-Backbone interact. energy: -7.217 local terms energy: -832.693002 where: bonds (distance) C4'-P energy: -155.824 bonds (distance) P-C4' energy: -149.448 flat angles C4'-P-C4' energy: -175.638 flat angles P-C4'-P energy: -119.520 tors. eta vs tors. theta energy: -232.263 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: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2778.841717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.841717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.841717 (E_RNA) where: Base-Base interactions energy: -1983.054 where: short stacking energy: -819.340 Base-Backbone interact. energy: -1.028 local terms energy: -794.759718 where: bonds (distance) C4'-P energy: -144.329 bonds (distance) P-C4' energy: -157.659 flat angles C4'-P-C4' energy: -175.577 flat angles P-C4'-P energy: -119.847 tors. eta vs tors. theta energy: -197.347 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: 5, replica: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2623.633907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.633907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.633907 (E_RNA) where: Base-Base interactions energy: -1854.474 where: short stacking energy: -807.040 Base-Backbone interact. energy: -2.419 local terms energy: -766.740687 where: bonds (distance) C4'-P energy: -128.956 bonds (distance) P-C4' energy: -150.547 flat angles C4'-P-C4' energy: -158.213 flat angles P-C4'-P energy: -113.342 tors. eta vs tors. theta energy: -215.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2509.879454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.879454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.879454 (E_RNA) where: Base-Base interactions energy: -1737.912 where: short stacking energy: -727.728 Base-Backbone interact. energy: 2.630 local terms energy: -774.597043 where: bonds (distance) C4'-P energy: -142.496 bonds (distance) P-C4' energy: -140.741 flat angles C4'-P-C4' energy: -171.174 flat angles P-C4'-P energy: -112.955 tors. eta vs tors. theta energy: -207.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2261.962095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.962095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.962095 (E_RNA) where: Base-Base interactions energy: -1595.888 where: short stacking energy: -695.279 Base-Backbone interact. energy: -1.161 local terms energy: -664.913248 where: bonds (distance) C4'-P energy: -110.346 bonds (distance) P-C4' energy: -136.568 flat angles C4'-P-C4' energy: -147.199 flat angles P-C4'-P energy: -102.575 tors. eta vs tors. theta energy: -168.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2066.715522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.715522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.715522 (E_RNA) where: Base-Base interactions energy: -1441.690 where: short stacking energy: -602.950 Base-Backbone interact. energy: -2.041 local terms energy: -622.985044 where: bonds (distance) C4'-P energy: -137.065 bonds (distance) P-C4' energy: -127.897 flat angles C4'-P-C4' energy: -130.385 flat angles P-C4'-P energy: -93.031 tors. eta vs tors. theta energy: -134.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1913.258777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.258777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.258777 (E_RNA) where: Base-Base interactions energy: -1343.879 where: short stacking energy: -570.413 Base-Backbone interact. energy: 0.209 local terms energy: -569.588230 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -127.534 flat angles C4'-P-C4' energy: -139.800 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -115.379 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: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1299.384036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.384036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.384036 (E_RNA) where: Base-Base interactions energy: -782.227 where: short stacking energy: -354.715 Base-Backbone interact. energy: -1.888 local terms energy: -515.269412 where: bonds (distance) C4'-P energy: -149.629 bonds (distance) P-C4' energy: -137.747 flat angles C4'-P-C4' energy: -102.574 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -47.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3020.301278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.301278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.301278 (E_RNA) where: Base-Base interactions energy: -2143.229 where: short stacking energy: -919.198 Base-Backbone interact. energy: -4.958 local terms energy: -872.113518 where: bonds (distance) C4'-P energy: -154.809 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -185.961 flat angles P-C4'-P energy: -123.238 tors. eta vs tors. theta energy: -250.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2977.133288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.133288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.133288 (E_RNA) where: Base-Base interactions energy: -2135.061 where: short stacking energy: -894.674 Base-Backbone interact. energy: -6.234 local terms energy: -835.838513 where: bonds (distance) C4'-P energy: -151.876 bonds (distance) P-C4' energy: -149.403 flat angles C4'-P-C4' energy: -182.913 flat angles P-C4'-P energy: -109.109 tors. eta vs tors. theta energy: -242.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2906.255267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.255267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.255267 (E_RNA) where: Base-Base interactions energy: -2043.234 where: short stacking energy: -846.886 Base-Backbone interact. energy: -3.852 local terms energy: -859.168502 where: bonds (distance) C4'-P energy: -152.403 bonds (distance) P-C4' energy: -160.987 flat angles C4'-P-C4' energy: -179.021 flat angles P-C4'-P energy: -123.598 tors. eta vs tors. theta energy: -243.160 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: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2756.371798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.371798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.371798 (E_RNA) where: Base-Base interactions energy: -1981.351 where: short stacking energy: -791.120 Base-Backbone interact. energy: 0.290 local terms energy: -775.310549 where: bonds (distance) C4'-P energy: -134.982 bonds (distance) P-C4' energy: -143.226 flat angles C4'-P-C4' energy: -182.289 flat angles P-C4'-P energy: -110.560 tors. eta vs tors. theta energy: -204.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2574.305317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.305317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.305317 (E_RNA) where: Base-Base interactions energy: -1827.224 where: short stacking energy: -788.134 Base-Backbone interact. energy: -0.338 local terms energy: -746.744202 where: bonds (distance) C4'-P energy: -132.044 bonds (distance) P-C4' energy: -131.357 flat angles C4'-P-C4' energy: -173.859 flat angles P-C4'-P energy: -105.784 tors. eta vs tors. theta energy: -203.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2495.743839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.743839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.743839 (E_RNA) where: Base-Base interactions energy: -1751.968 where: short stacking energy: -737.789 Base-Backbone interact. energy: -0.073 local terms energy: -743.703758 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -134.901 flat angles C4'-P-C4' energy: -157.754 flat angles P-C4'-P energy: -107.029 tors. eta vs tors. theta energy: -199.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2269.160079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.160079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.160079 (E_RNA) where: Base-Base interactions energy: -1608.301 where: short stacking energy: -699.565 Base-Backbone interact. energy: -0.895 local terms energy: -659.964829 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -133.180 flat angles C4'-P-C4' energy: -148.963 flat angles P-C4'-P energy: -86.008 tors. eta vs tors. theta energy: -176.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2110.938928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.938928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.938928 (E_RNA) where: Base-Base interactions energy: -1456.378 where: short stacking energy: -600.210 Base-Backbone interact. energy: -3.806 local terms energy: -650.754778 where: bonds (distance) C4'-P energy: -139.736 bonds (distance) P-C4' energy: -124.514 flat angles C4'-P-C4' energy: -149.651 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -146.144 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1962.394570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.394570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.394570 (E_RNA) where: Base-Base interactions energy: -1384.467 where: short stacking energy: -555.398 Base-Backbone interact. energy: -3.875 local terms energy: -574.052517 where: bonds (distance) C4'-P energy: -102.029 bonds (distance) P-C4' energy: -136.749 flat angles C4'-P-C4' energy: -137.353 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -128.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1337.848172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.848172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.848172 (E_RNA) where: Base-Base interactions energy: -868.160 where: short stacking energy: -395.721 Base-Backbone interact. energy: 0.642 local terms energy: -470.329469 where: bonds (distance) C4'-P energy: -122.210 bonds (distance) P-C4' energy: -130.573 flat angles C4'-P-C4' energy: -122.137 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -32.197 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: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3025.439392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.439392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.439392 (E_RNA) where: Base-Base interactions energy: -2151.590 where: short stacking energy: -896.122 Base-Backbone interact. energy: -1.734 local terms energy: -872.114732 where: bonds (distance) C4'-P energy: -161.646 bonds (distance) P-C4' energy: -151.463 flat angles C4'-P-C4' energy: -189.407 flat angles P-C4'-P energy: -125.694 tors. eta vs tors. theta energy: -243.904 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: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2943.451057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.451057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.451057 (E_RNA) where: Base-Base interactions energy: -2091.296 where: short stacking energy: -863.156 Base-Backbone interact. energy: -5.083 local terms energy: -847.071368 where: bonds (distance) C4'-P energy: -134.597 bonds (distance) P-C4' energy: -163.805 flat angles C4'-P-C4' energy: -188.193 flat angles P-C4'-P energy: -123.356 tors. eta vs tors. theta energy: -237.120 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: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2853.161845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.161845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.161845 (E_RNA) where: Base-Base interactions energy: -2013.401 where: short stacking energy: -834.687 Base-Backbone interact. energy: -7.998 local terms energy: -831.762759 where: bonds (distance) C4'-P energy: -149.980 bonds (distance) P-C4' energy: -160.679 flat angles C4'-P-C4' energy: -174.399 flat angles P-C4'-P energy: -100.207 tors. eta vs tors. theta energy: -246.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2768.317068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.317068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.317068 (E_RNA) where: Base-Base interactions energy: -1980.285 where: short stacking energy: -807.998 Base-Backbone interact. energy: -5.614 local terms energy: -782.417913 where: bonds (distance) C4'-P energy: -129.390 bonds (distance) P-C4' energy: -149.554 flat angles C4'-P-C4' energy: -171.305 flat angles P-C4'-P energy: -116.518 tors. eta vs tors. theta energy: -215.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2528.569963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.569963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.569963 (E_RNA) where: Base-Base interactions energy: -1768.797 where: short stacking energy: -753.321 Base-Backbone interact. energy: 0.258 local terms energy: -760.031380 where: bonds (distance) C4'-P energy: -156.606 bonds (distance) P-C4' energy: -142.427 flat angles C4'-P-C4' energy: -159.070 flat angles P-C4'-P energy: -106.055 tors. eta vs tors. theta energy: -195.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2544.372561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.372561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.372561 (E_RNA) where: Base-Base interactions energy: -1792.809 where: short stacking energy: -749.356 Base-Backbone interact. energy: -1.694 local terms energy: -749.869527 where: bonds (distance) C4'-P energy: -142.766 bonds (distance) P-C4' energy: -145.837 flat angles C4'-P-C4' energy: -159.489 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -198.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2213.686033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.686033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.686033 (E_RNA) where: Base-Base interactions energy: -1537.811 where: short stacking energy: -647.936 Base-Backbone interact. energy: -2.860 local terms energy: -673.014956 where: bonds (distance) C4'-P energy: -133.851 bonds (distance) P-C4' energy: -156.348 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -103.940 tors. eta vs tors. theta energy: -147.133 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: 405 Temperature: 1.250000 Total energy: -2063.245491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.245491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.245491 (E_RNA) where: Base-Base interactions energy: -1436.556 where: short stacking energy: -574.822 Base-Backbone interact. energy: -4.000 local terms energy: -622.689426 where: bonds (distance) C4'-P energy: -153.734 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -135.983 flat angles P-C4'-P energy: -61.517 tors. eta vs tors. theta energy: -131.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1981.382641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.382641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.382641 (E_RNA) where: Base-Base interactions energy: -1398.586 where: short stacking energy: -566.554 Base-Backbone interact. energy: -4.204 local terms energy: -578.592998 where: bonds (distance) C4'-P energy: -106.395 bonds (distance) P-C4' energy: -141.222 flat angles C4'-P-C4' energy: -143.837 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: -123.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1314.870875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.870875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.870875 (E_RNA) where: Base-Base interactions energy: -818.599 where: short stacking energy: -409.931 Base-Backbone interact. energy: 2.051 local terms energy: -498.323394 where: bonds (distance) C4'-P energy: -123.574 bonds (distance) P-C4' energy: -133.063 flat angles C4'-P-C4' energy: -122.411 flat angles P-C4'-P energy: -73.404 tors. eta vs tors. theta energy: -45.871 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: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3011.468201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.468201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.468201 (E_RNA) where: Base-Base interactions energy: -2136.688 where: short stacking energy: -911.541 Base-Backbone interact. energy: -4.309 local terms energy: -870.471189 where: bonds (distance) C4'-P energy: -147.643 bonds (distance) P-C4' energy: -160.629 flat angles C4'-P-C4' energy: -193.381 flat angles P-C4'-P energy: -130.100 tors. eta vs tors. theta energy: -238.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3002.221135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.221135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.221135 (E_RNA) where: Base-Base interactions energy: -2158.036 where: short stacking energy: -922.600 Base-Backbone interact. energy: -2.737 local terms energy: -841.447703 where: bonds (distance) C4'-P energy: -154.672 bonds (distance) P-C4' energy: -154.228 flat angles C4'-P-C4' energy: -182.830 flat angles P-C4'-P energy: -110.307 tors. eta vs tors. theta energy: -239.410 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: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2921.721446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.721446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.721446 (E_RNA) where: Base-Base interactions energy: -2075.343 where: short stacking energy: -893.268 Base-Backbone interact. energy: -2.601 local terms energy: -843.778215 where: bonds (distance) C4'-P energy: -144.522 bonds (distance) P-C4' energy: -154.290 flat angles C4'-P-C4' energy: -180.370 flat angles P-C4'-P energy: -114.521 tors. eta vs tors. theta energy: -250.075 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: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2751.172407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.172407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.172407 (E_RNA) where: Base-Base interactions energy: -1958.736 where: short stacking energy: -794.005 Base-Backbone interact. energy: -0.800 local terms energy: -791.635958 where: bonds (distance) C4'-P energy: -132.208 bonds (distance) P-C4' energy: -157.626 flat angles C4'-P-C4' energy: -173.497 flat angles P-C4'-P energy: -124.650 tors. eta vs tors. theta energy: -203.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2544.064560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.064560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.064560 (E_RNA) where: Base-Base interactions energy: -1773.075 where: short stacking energy: -787.782 Base-Backbone interact. energy: -2.687 local terms energy: -768.303542 where: bonds (distance) C4'-P energy: -121.483 bonds (distance) P-C4' energy: -144.072 flat angles C4'-P-C4' energy: -184.276 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -219.703 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: 6 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2494.353355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.353355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.353355 (E_RNA) where: Base-Base interactions energy: -1766.013 where: short stacking energy: -750.144 Base-Backbone interact. energy: -3.599 local terms energy: -724.742041 where: bonds (distance) C4'-P energy: -137.840 bonds (distance) P-C4' energy: -146.142 flat angles C4'-P-C4' energy: -149.479 flat angles P-C4'-P energy: -92.343 tors. eta vs tors. theta energy: -198.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2254.256970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.256970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.256970 (E_RNA) where: Base-Base interactions energy: -1582.841 where: short stacking energy: -673.019 Base-Backbone interact. energy: -0.294 local terms energy: -671.121937 where: bonds (distance) C4'-P energy: -145.367 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -151.180 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -151.015 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: 406 Temperature: 1.250000 Total energy: -2136.586144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.586144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.586144 (E_RNA) where: Base-Base interactions energy: -1502.467 where: short stacking energy: -634.638 Base-Backbone interact. energy: 5.530 local terms energy: -639.648484 where: bonds (distance) C4'-P energy: -132.123 bonds (distance) P-C4' energy: -124.376 flat angles C4'-P-C4' energy: -144.862 flat angles P-C4'-P energy: -86.812 tors. eta vs tors. theta energy: -151.476 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: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1932.040510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.040510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.040510 (E_RNA) where: Base-Base interactions energy: -1351.486 where: short stacking energy: -557.192 Base-Backbone interact. energy: -5.425 local terms energy: -575.129634 where: bonds (distance) C4'-P energy: -116.414 bonds (distance) P-C4' energy: -138.134 flat angles C4'-P-C4' energy: -115.449 flat angles P-C4'-P energy: -78.650 tors. eta vs tors. theta energy: -126.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1318.353232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.353232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.353232 (E_RNA) where: Base-Base interactions energy: -859.659 where: short stacking energy: -416.106 Base-Backbone interact. energy: -1.164 local terms energy: -457.530034 where: bonds (distance) C4'-P energy: -109.896 bonds (distance) P-C4' energy: -115.308 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -61.688 tors. eta vs tors. theta energy: -58.967 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: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3059.831922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.831922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.831922 (E_RNA) where: Base-Base interactions energy: -2158.248 where: short stacking energy: -923.114 Base-Backbone interact. energy: -0.050 local terms energy: -901.533996 where: bonds (distance) C4'-P energy: -168.910 bonds (distance) P-C4' energy: -158.183 flat angles C4'-P-C4' energy: -188.921 flat angles P-C4'-P energy: -141.851 tors. eta vs tors. theta energy: -243.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2981.453221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.453221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.453221 (E_RNA) where: Base-Base interactions energy: -2101.158 where: short stacking energy: -863.631 Base-Backbone interact. energy: -1.730 local terms energy: -878.565002 where: bonds (distance) C4'-P energy: -161.715 bonds (distance) P-C4' energy: -168.501 flat angles C4'-P-C4' energy: -190.230 flat angles P-C4'-P energy: -122.781 tors. eta vs tors. theta energy: -235.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2926.165483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.165483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.165483 (E_RNA) where: Base-Base interactions energy: -2104.698 where: short stacking energy: -886.443 Base-Backbone interact. energy: -6.253 local terms energy: -815.213789 where: bonds (distance) C4'-P energy: -146.725 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -174.175 flat angles P-C4'-P energy: -103.796 tors. eta vs tors. theta energy: -246.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2739.086942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.086942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.086942 (E_RNA) where: Base-Base interactions energy: -1951.432 where: short stacking energy: -795.944 Base-Backbone interact. energy: -1.146 local terms energy: -786.508886 where: bonds (distance) C4'-P energy: -147.928 bonds (distance) P-C4' energy: -146.801 flat angles C4'-P-C4' energy: -171.501 flat angles P-C4'-P energy: -113.285 tors. eta vs tors. theta energy: -206.994 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: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2543.049415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.049415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.049415 (E_RNA) where: Base-Base interactions energy: -1779.821 where: short stacking energy: -784.369 Base-Backbone interact. energy: -1.661 local terms energy: -761.567786 where: bonds (distance) C4'-P energy: -133.322 bonds (distance) P-C4' energy: -137.928 flat angles C4'-P-C4' energy: -164.265 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -205.630 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: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2469.946323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.946323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.946323 (E_RNA) where: Base-Base interactions energy: -1765.967 where: short stacking energy: -737.034 Base-Backbone interact. energy: 1.915 local terms energy: -705.894229 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -140.055 flat angles C4'-P-C4' energy: -152.707 flat angles P-C4'-P energy: -90.989 tors. eta vs tors. theta energy: -202.695 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: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2309.575145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.575145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.575145 (E_RNA) where: Base-Base interactions energy: -1588.002 where: short stacking energy: -664.694 Base-Backbone interact. energy: -2.124 local terms energy: -719.449064 where: bonds (distance) C4'-P energy: -136.720 bonds (distance) P-C4' energy: -136.065 flat angles C4'-P-C4' energy: -155.996 flat angles P-C4'-P energy: -113.946 tors. eta vs tors. theta energy: -176.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2101.607301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.607301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.607301 (E_RNA) where: Base-Base interactions energy: -1440.675 where: short stacking energy: -611.842 Base-Backbone interact. energy: -0.976 local terms energy: -659.955717 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -142.111 flat angles C4'-P-C4' energy: -144.494 flat angles P-C4'-P energy: -98.235 tors. eta vs tors. theta energy: -145.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1941.683693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.683693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.683693 (E_RNA) where: Base-Base interactions energy: -1360.002 where: short stacking energy: -570.844 Base-Backbone interact. energy: -2.029 local terms energy: -579.652772 where: bonds (distance) C4'-P energy: -124.316 bonds (distance) P-C4' energy: -110.042 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -122.393 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: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1365.854733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.854733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.854733 (E_RNA) where: Base-Base interactions energy: -846.077 where: short stacking energy: -396.441 Base-Backbone interact. energy: 5.849 local terms energy: -525.626508 where: bonds (distance) C4'-P energy: -149.234 bonds (distance) P-C4' energy: -115.573 flat angles C4'-P-C4' energy: -130.710 flat angles P-C4'-P energy: -72.785 tors. eta vs tors. theta energy: -57.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3020.205312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.205312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.205312 (E_RNA) where: Base-Base interactions energy: -2153.244 where: short stacking energy: -904.765 Base-Backbone interact. energy: 1.714 local terms energy: -868.675574 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -158.427 flat angles C4'-P-C4' energy: -189.508 flat angles P-C4'-P energy: -126.408 tors. eta vs tors. theta energy: -238.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2952.102377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.102377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.102377 (E_RNA) where: Base-Base interactions energy: -2114.477 where: short stacking energy: -882.532 Base-Backbone interact. energy: -2.186 local terms energy: -835.439347 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -157.082 flat angles C4'-P-C4' energy: -170.664 flat angles P-C4'-P energy: -122.321 tors. eta vs tors. theta energy: -235.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2909.208024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.208024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.208024 (E_RNA) where: Base-Base interactions energy: -2092.309 where: short stacking energy: -866.593 Base-Backbone interact. energy: -8.690 local terms energy: -808.209158 where: bonds (distance) C4'-P energy: -136.124 bonds (distance) P-C4' energy: -148.980 flat angles C4'-P-C4' energy: -175.672 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -243.619 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: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2748.235506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.235506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.235506 (E_RNA) where: Base-Base interactions energy: -1959.875 where: short stacking energy: -804.383 Base-Backbone interact. energy: -4.673 local terms energy: -783.687261 where: bonds (distance) C4'-P energy: -134.750 bonds (distance) P-C4' energy: -158.894 flat angles C4'-P-C4' energy: -173.251 flat angles P-C4'-P energy: -116.284 tors. eta vs tors. theta energy: -200.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2565.408230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.408230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.408230 (E_RNA) where: Base-Base interactions energy: -1802.847 where: short stacking energy: -782.745 Base-Backbone interact. energy: -4.410 local terms energy: -758.151681 where: bonds (distance) C4'-P energy: -126.578 bonds (distance) P-C4' energy: -136.623 flat angles C4'-P-C4' energy: -169.926 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -220.748 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: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2495.793874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.793874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.793874 (E_RNA) where: Base-Base interactions energy: -1740.942 where: short stacking energy: -732.886 Base-Backbone interact. energy: 1.891 local terms energy: -756.743026 where: bonds (distance) C4'-P energy: -149.238 bonds (distance) P-C4' energy: -135.862 flat angles C4'-P-C4' energy: -160.563 flat angles P-C4'-P energy: -110.091 tors. eta vs tors. theta energy: -200.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2247.697887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.697887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.697887 (E_RNA) where: Base-Base interactions energy: -1566.122 where: short stacking energy: -688.511 Base-Backbone interact. energy: -5.120 local terms energy: -676.455401 where: bonds (distance) C4'-P energy: -108.296 bonds (distance) P-C4' energy: -142.036 flat angles C4'-P-C4' energy: -164.706 flat angles P-C4'-P energy: -88.416 tors. eta vs tors. theta energy: -173.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2089.252335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.252335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.252335 (E_RNA) where: Base-Base interactions energy: -1424.659 where: short stacking energy: -594.074 Base-Backbone interact. energy: -1.070 local terms energy: -663.522805 where: bonds (distance) C4'-P energy: -133.782 bonds (distance) P-C4' energy: -134.483 flat angles C4'-P-C4' energy: -148.163 flat angles P-C4'-P energy: -97.057 tors. eta vs tors. theta energy: -150.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1989.987373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.987373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.987373 (E_RNA) where: Base-Base interactions energy: -1403.505 where: short stacking energy: -597.189 Base-Backbone interact. energy: -2.386 local terms energy: -584.096618 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -126.237 flat angles C4'-P-C4' energy: -124.324 flat angles P-C4'-P energy: -74.396 tors. eta vs tors. theta energy: -125.904 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: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1303.161182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.161182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.161182 (E_RNA) where: Base-Base interactions energy: -814.210 where: short stacking energy: -396.991 Base-Backbone interact. energy: -5.045 local terms energy: -483.906278 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -117.675 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -50.212 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: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3045.499845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.499845 (E_RNA) where: Base-Base interactions energy: -2174.475 where: short stacking energy: -897.362 Base-Backbone interact. energy: 4.625 local terms energy: -875.649706 where: bonds (distance) C4'-P energy: -161.393 bonds (distance) P-C4' energy: -176.520 flat angles C4'-P-C4' energy: -189.327 flat angles P-C4'-P energy: -111.783 tors. eta vs tors. theta energy: -236.626 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: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3006.092784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.092784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.092784 (E_RNA) where: Base-Base interactions energy: -2147.667 where: short stacking energy: -900.590 Base-Backbone interact. energy: -9.382 local terms energy: -849.043847 where: bonds (distance) C4'-P energy: -166.929 bonds (distance) P-C4' energy: -148.108 flat angles C4'-P-C4' energy: -169.006 flat angles P-C4'-P energy: -113.060 tors. eta vs tors. theta energy: -251.940 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: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2852.006404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.006404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.006404 (E_RNA) where: Base-Base interactions energy: -2026.499 where: short stacking energy: -839.038 Base-Backbone interact. energy: 0.716 local terms energy: -826.222850 where: bonds (distance) C4'-P energy: -147.150 bonds (distance) P-C4' energy: -151.107 flat angles C4'-P-C4' energy: -178.747 flat angles P-C4'-P energy: -115.247 tors. eta vs tors. theta energy: -233.971 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: 409 Temperature: 1.050000 Total energy: -2783.507977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.507977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.507977 (E_RNA) where: Base-Base interactions energy: -1993.955 where: short stacking energy: -837.699 Base-Backbone interact. energy: -2.676 local terms energy: -786.876559 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -147.338 flat angles C4'-P-C4' energy: -173.180 flat angles P-C4'-P energy: -111.023 tors. eta vs tors. theta energy: -216.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2556.238873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.238873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.238873 (E_RNA) where: Base-Base interactions energy: -1827.849 where: short stacking energy: -758.243 Base-Backbone interact. energy: -1.085 local terms energy: -727.304535 where: bonds (distance) C4'-P energy: -117.252 bonds (distance) P-C4' energy: -141.099 flat angles C4'-P-C4' energy: -157.517 flat angles P-C4'-P energy: -106.353 tors. eta vs tors. theta energy: -205.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2462.510009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.510009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.510009 (E_RNA) where: Base-Base interactions energy: -1733.092 where: short stacking energy: -737.080 Base-Backbone interact. energy: -3.799 local terms energy: -725.619179 where: bonds (distance) C4'-P energy: -133.570 bonds (distance) P-C4' energy: -126.426 flat angles C4'-P-C4' energy: -175.044 flat angles P-C4'-P energy: -102.090 tors. eta vs tors. theta energy: -188.488 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: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2212.569258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.569258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.569258 (E_RNA) where: Base-Base interactions energy: -1515.460 where: short stacking energy: -655.978 Base-Backbone interact. energy: -2.081 local terms energy: -695.028194 where: bonds (distance) C4'-P energy: -121.665 bonds (distance) P-C4' energy: -151.156 flat angles C4'-P-C4' energy: -156.282 flat angles P-C4'-P energy: -103.966 tors. eta vs tors. theta energy: -161.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2070.737480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.737480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.737480 (E_RNA) where: Base-Base interactions energy: -1449.469 where: short stacking energy: -588.519 Base-Backbone interact. energy: -1.763 local terms energy: -619.505345 where: bonds (distance) C4'-P energy: -139.006 bonds (distance) P-C4' energy: -133.894 flat angles C4'-P-C4' energy: -136.502 flat angles P-C4'-P energy: -75.559 tors. eta vs tors. theta energy: -134.544 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: 409 Temperature: 1.300000 Total energy: -1960.452246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.452246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.452246 (E_RNA) where: Base-Base interactions energy: -1350.424 where: short stacking energy: -563.361 Base-Backbone interact. energy: -3.157 local terms energy: -606.871471 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -116.740 flat angles C4'-P-C4' energy: -128.618 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -123.969 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: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1271.417105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.417105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.417105 (E_RNA) where: Base-Base interactions energy: -784.860 where: short stacking energy: -391.445 Base-Backbone interact. energy: -2.456 local terms energy: -484.100404 where: bonds (distance) C4'-P energy: -99.276 bonds (distance) P-C4' energy: -140.351 flat angles C4'-P-C4' energy: -115.314 flat angles P-C4'-P energy: -74.956 tors. eta vs tors. theta energy: -54.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3055.314955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.314955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.314955 (E_RNA) where: Base-Base interactions energy: -2195.408 where: short stacking energy: -906.955 Base-Backbone interact. energy: 5.793 local terms energy: -865.699890 where: bonds (distance) C4'-P energy: -168.388 bonds (distance) P-C4' energy: -145.494 flat angles C4'-P-C4' energy: -177.806 flat angles P-C4'-P energy: -127.018 tors. eta vs tors. theta energy: -246.994 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: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2983.944867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.944867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.944867 (E_RNA) where: Base-Base interactions energy: -2134.807 where: short stacking energy: -892.564 Base-Backbone interact. energy: -3.575 local terms energy: -845.562123 where: bonds (distance) C4'-P energy: -157.157 bonds (distance) P-C4' energy: -142.746 flat angles C4'-P-C4' energy: -181.287 flat angles P-C4'-P energy: -119.799 tors. eta vs tors. theta energy: -244.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2873.118818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.118818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.118818 (E_RNA) where: Base-Base interactions energy: -2054.337 where: short stacking energy: -842.665 Base-Backbone interact. energy: 0.527 local terms energy: -819.308005 where: bonds (distance) C4'-P energy: -153.058 bonds (distance) P-C4' energy: -159.271 flat angles C4'-P-C4' energy: -165.123 flat angles P-C4'-P energy: -125.634 tors. eta vs tors. theta energy: -216.223 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: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2795.357710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.357710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.357710 (E_RNA) where: Base-Base interactions energy: -2008.236 where: short stacking energy: -864.375 Base-Backbone interact. energy: -6.320 local terms energy: -780.801547 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -146.665 flat angles C4'-P-C4' energy: -168.191 flat angles P-C4'-P energy: -101.647 tors. eta vs tors. theta energy: -234.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2609.228163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.228163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.228163 (E_RNA) where: Base-Base interactions energy: -1841.537 where: short stacking energy: -801.575 Base-Backbone interact. energy: 2.556 local terms energy: -770.246956 where: bonds (distance) C4'-P energy: -133.821 bonds (distance) P-C4' energy: -134.756 flat angles C4'-P-C4' energy: -163.047 flat angles P-C4'-P energy: -116.977 tors. eta vs tors. theta energy: -221.645 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: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2486.296831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.296831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.296831 (E_RNA) where: Base-Base interactions energy: -1741.344 where: short stacking energy: -772.362 Base-Backbone interact. energy: -4.577 local terms energy: -740.375839 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -145.910 flat angles C4'-P-C4' energy: -161.955 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -198.088 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: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2262.441649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.441649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.441649 (E_RNA) where: Base-Base interactions energy: -1568.552 where: short stacking energy: -680.303 Base-Backbone interact. energy: -1.902 local terms energy: -691.987039 where: bonds (distance) C4'-P energy: -123.051 bonds (distance) P-C4' energy: -144.392 flat angles C4'-P-C4' energy: -149.186 flat angles P-C4'-P energy: -103.400 tors. eta vs tors. theta energy: -171.959 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: 410 Temperature: 1.250000 Total energy: -2019.418514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.418514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.418514 (E_RNA) where: Base-Base interactions energy: -1386.064 where: short stacking energy: -607.517 Base-Backbone interact. energy: 1.615 local terms energy: -634.969851 where: bonds (distance) C4'-P energy: -120.001 bonds (distance) P-C4' energy: -137.115 flat angles C4'-P-C4' energy: -145.867 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -147.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1991.863589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.863589 (E_RNA) where: Base-Base interactions energy: -1398.029 where: short stacking energy: -612.562 Base-Backbone interact. energy: 1.454 local terms energy: -595.288352 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -116.342 flat angles C4'-P-C4' energy: -130.662 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -125.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1219.743955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.743955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.743955 (E_RNA) where: Base-Base interactions energy: -758.441 where: short stacking energy: -348.851 Base-Backbone interact. energy: 6.841 local terms energy: -468.143994 where: bonds (distance) C4'-P energy: -124.528 bonds (distance) P-C4' energy: -122.949 flat angles C4'-P-C4' energy: -112.653 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -33.443 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3078.228865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.228865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.228865 (E_RNA) where: Base-Base interactions energy: -2202.915 where: short stacking energy: -930.425 Base-Backbone interact. energy: 5.492 local terms energy: -880.806285 where: bonds (distance) C4'-P energy: -166.869 bonds (distance) P-C4' energy: -154.000 flat angles C4'-P-C4' energy: -182.010 flat angles P-C4'-P energy: -129.881 tors. eta vs tors. theta energy: -248.047 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2973.064691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.064691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.064691 (E_RNA) where: Base-Base interactions energy: -2131.359 where: short stacking energy: -903.105 Base-Backbone interact. energy: -2.768 local terms energy: -838.937099 where: bonds (distance) C4'-P energy: -150.343 bonds (distance) P-C4' energy: -148.216 flat angles C4'-P-C4' energy: -168.814 flat angles P-C4'-P energy: -126.913 tors. eta vs tors. theta energy: -244.651 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: 411 Temperature: 1.000000 Total energy: -2875.765411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.765411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.765411 (E_RNA) where: Base-Base interactions energy: -2059.930 where: short stacking energy: -846.167 Base-Backbone interact. energy: -3.199 local terms energy: -812.636149 where: bonds (distance) C4'-P energy: -154.624 bonds (distance) P-C4' energy: -142.948 flat angles C4'-P-C4' energy: -169.825 flat angles P-C4'-P energy: -126.616 tors. eta vs tors. theta energy: -218.623 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: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2781.781012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.781012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.781012 (E_RNA) where: Base-Base interactions energy: -1963.638 where: short stacking energy: -817.442 Base-Backbone interact. energy: -2.295 local terms energy: -815.848340 where: bonds (distance) C4'-P energy: -152.240 bonds (distance) P-C4' energy: -147.927 flat angles C4'-P-C4' energy: -171.591 flat angles P-C4'-P energy: -118.016 tors. eta vs tors. theta energy: -226.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2642.063255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.063255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.063255 (E_RNA) where: Base-Base interactions energy: -1836.523 where: short stacking energy: -779.207 Base-Backbone interact. energy: 1.366 local terms energy: -806.905622 where: bonds (distance) C4'-P energy: -161.085 bonds (distance) P-C4' energy: -150.452 flat angles C4'-P-C4' energy: -167.733 flat angles P-C4'-P energy: -109.367 tors. eta vs tors. theta energy: -218.269 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: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2474.960987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.960987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.960987 (E_RNA) where: Base-Base interactions energy: -1729.832 where: short stacking energy: -734.550 Base-Backbone interact. energy: -0.603 local terms energy: -744.525855 where: bonds (distance) C4'-P energy: -129.980 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -170.184 flat angles P-C4'-P energy: -108.936 tors. eta vs tors. theta energy: -194.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2263.995370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.995370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.995370 (E_RNA) where: Base-Base interactions energy: -1585.554 where: short stacking energy: -630.745 Base-Backbone interact. energy: -1.919 local terms energy: -676.522855 where: bonds (distance) C4'-P energy: -130.610 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -163.364 flat angles P-C4'-P energy: -88.168 tors. eta vs tors. theta energy: -148.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2039.683514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.683514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.683514 (E_RNA) where: Base-Base interactions energy: -1421.192 where: short stacking energy: -623.017 Base-Backbone interact. energy: -1.367 local terms energy: -617.124277 where: bonds (distance) C4'-P energy: -141.942 bonds (distance) P-C4' energy: -126.687 flat angles C4'-P-C4' energy: -128.888 flat angles P-C4'-P energy: -88.561 tors. eta vs tors. theta energy: -131.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1968.181579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.181579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.181579 (E_RNA) where: Base-Base interactions energy: -1389.129 where: short stacking energy: -584.413 Base-Backbone interact. energy: 5.923 local terms energy: -584.975453 where: bonds (distance) C4'-P energy: -115.396 bonds (distance) P-C4' energy: -103.925 flat angles C4'-P-C4' energy: -138.272 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -131.157 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: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1324.590597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.590597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.590597 (E_RNA) where: Base-Base interactions energy: -828.638 where: short stacking energy: -393.011 Base-Backbone interact. energy: 1.654 local terms energy: -497.606224 where: bonds (distance) C4'-P energy: -126.522 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -117.222 flat angles P-C4'-P energy: -69.689 tors. eta vs tors. theta energy: -47.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3086.786821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.786821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.786821 (E_RNA) where: Base-Base interactions energy: -2218.879 where: short stacking energy: -913.460 Base-Backbone interact. energy: 0.366 local terms energy: -868.272958 where: bonds (distance) C4'-P energy: -161.853 bonds (distance) P-C4' energy: -153.850 flat angles C4'-P-C4' energy: -181.669 flat angles P-C4'-P energy: -128.894 tors. eta vs tors. theta energy: -242.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2984.585629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.585629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.585629 (E_RNA) where: Base-Base interactions energy: -2127.293 where: short stacking energy: -883.244 Base-Backbone interact. energy: -1.967 local terms energy: -855.325820 where: bonds (distance) C4'-P energy: -146.302 bonds (distance) P-C4' energy: -166.473 flat angles C4'-P-C4' energy: -184.072 flat angles P-C4'-P energy: -120.355 tors. eta vs tors. theta energy: -238.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2853.701151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.701151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.701151 (E_RNA) where: Base-Base interactions energy: -2017.540 where: short stacking energy: -834.287 Base-Backbone interact. energy: -5.971 local terms energy: -830.191004 where: bonds (distance) C4'-P energy: -143.811 bonds (distance) P-C4' energy: -155.472 flat angles C4'-P-C4' energy: -185.882 flat angles P-C4'-P energy: -125.027 tors. eta vs tors. theta energy: -219.999 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: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2778.933669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.933669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.933669 (E_RNA) where: Base-Base interactions energy: -1978.911 where: short stacking energy: -827.692 Base-Backbone interact. energy: -5.388 local terms energy: -794.635169 where: bonds (distance) C4'-P energy: -135.139 bonds (distance) P-C4' energy: -133.423 flat angles C4'-P-C4' energy: -184.858 flat angles P-C4'-P energy: -116.875 tors. eta vs tors. theta energy: -224.341 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: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2633.412929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.412929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.412929 (E_RNA) where: Base-Base interactions energy: -1862.628 where: short stacking energy: -829.581 Base-Backbone interact. energy: -4.883 local terms energy: -765.901625 where: bonds (distance) C4'-P energy: -146.932 bonds (distance) P-C4' energy: -135.657 flat angles C4'-P-C4' energy: -160.379 flat angles P-C4'-P energy: -99.417 tors. eta vs tors. theta energy: -223.516 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: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2495.156901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.156901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.156901 (E_RNA) where: Base-Base interactions energy: -1750.496 where: short stacking energy: -780.198 Base-Backbone interact. energy: -4.262 local terms energy: -740.399154 where: bonds (distance) C4'-P energy: -145.261 bonds (distance) P-C4' energy: -135.340 flat angles C4'-P-C4' energy: -161.435 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -191.104 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: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2357.568495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.568495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.568495 (E_RNA) where: Base-Base interactions energy: -1693.595 where: short stacking energy: -684.291 Base-Backbone interact. energy: 0.235 local terms energy: -664.208691 where: bonds (distance) C4'-P energy: -121.324 bonds (distance) P-C4' energy: -135.732 flat angles C4'-P-C4' energy: -151.696 flat angles P-C4'-P energy: -68.117 tors. eta vs tors. theta energy: -187.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2201.093033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.093033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.093033 (E_RNA) where: Base-Base interactions energy: -1537.470 where: short stacking energy: -680.402 Base-Backbone interact. energy: -5.095 local terms energy: -658.528408 where: bonds (distance) C4'-P energy: -111.961 bonds (distance) P-C4' energy: -117.774 flat angles C4'-P-C4' energy: -151.336 flat angles P-C4'-P energy: -101.828 tors. eta vs tors. theta energy: -175.629 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: 412 Temperature: 1.300000 Total energy: -2034.135356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.135356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.135356 (E_RNA) where: Base-Base interactions energy: -1431.761 where: short stacking energy: -559.427 Base-Backbone interact. energy: -3.734 local terms energy: -598.640313 where: bonds (distance) C4'-P energy: -108.698 bonds (distance) P-C4' energy: -131.963 flat angles C4'-P-C4' energy: -150.103 flat angles P-C4'-P energy: -82.646 tors. eta vs tors. theta energy: -125.230 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: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1304.247657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.247657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.247657 (E_RNA) where: Base-Base interactions energy: -802.339 where: short stacking energy: -401.688 Base-Backbone interact. energy: -4.427 local terms energy: -497.481433 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -139.794 flat angles C4'-P-C4' energy: -119.651 flat angles P-C4'-P energy: -71.644 tors. eta vs tors. theta energy: -62.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3034.691503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.691503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.691503 (E_RNA) where: Base-Base interactions energy: -2143.332 where: short stacking energy: -872.982 Base-Backbone interact. energy: 1.324 local terms energy: -892.683374 where: bonds (distance) C4'-P energy: -170.164 bonds (distance) P-C4' energy: -162.985 flat angles C4'-P-C4' energy: -185.349 flat angles P-C4'-P energy: -131.028 tors. eta vs tors. theta energy: -243.156 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: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2973.823824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.823824 (E_RNA) where: Base-Base interactions energy: -2107.081 where: short stacking energy: -884.740 Base-Backbone interact. energy: -4.826 local terms energy: -861.916832 where: bonds (distance) C4'-P energy: -150.151 bonds (distance) P-C4' energy: -160.198 flat angles C4'-P-C4' energy: -188.505 flat angles P-C4'-P energy: -122.165 tors. eta vs tors. theta energy: -240.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2883.406050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.406050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.406050 (E_RNA) where: Base-Base interactions energy: -2081.204 where: short stacking energy: -844.046 Base-Backbone interact. energy: -0.854 local terms energy: -801.348647 where: bonds (distance) C4'-P energy: -144.952 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -175.531 flat angles P-C4'-P energy: -113.103 tors. eta vs tors. theta energy: -218.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2768.319588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.319588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.319588 (E_RNA) where: Base-Base interactions energy: -1984.352 where: short stacking energy: -853.088 Base-Backbone interact. energy: -7.495 local terms energy: -776.472008 where: bonds (distance) C4'-P energy: -130.879 bonds (distance) P-C4' energy: -136.812 flat angles C4'-P-C4' energy: -167.304 flat angles P-C4'-P energy: -105.544 tors. eta vs tors. theta energy: -235.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2579.370063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.370063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.370063 (E_RNA) where: Base-Base interactions energy: -1834.020 where: short stacking energy: -778.559 Base-Backbone interact. energy: -4.272 local terms energy: -741.078641 where: bonds (distance) C4'-P energy: -133.537 bonds (distance) P-C4' energy: -139.934 flat angles C4'-P-C4' energy: -163.578 flat angles P-C4'-P energy: -96.007 tors. eta vs tors. theta energy: -208.023 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: 413 Temperature: 1.150000 Total energy: -2570.902332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.902332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.902332 (E_RNA) where: Base-Base interactions energy: -1808.242 where: short stacking energy: -778.563 Base-Backbone interact. energy: -3.031 local terms energy: -759.628854 where: bonds (distance) C4'-P energy: -140.941 bonds (distance) P-C4' energy: -143.386 flat angles C4'-P-C4' energy: -177.626 flat angles P-C4'-P energy: -95.918 tors. eta vs tors. theta energy: -201.759 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: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2328.723822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.723822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.723822 (E_RNA) where: Base-Base interactions energy: -1661.692 where: short stacking energy: -688.365 Base-Backbone interact. energy: -5.930 local terms energy: -661.101514 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -133.815 flat angles C4'-P-C4' energy: -147.652 flat angles P-C4'-P energy: -93.721 tors. eta vs tors. theta energy: -180.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2168.100037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.100037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.100037 (E_RNA) where: Base-Base interactions energy: -1526.716 where: short stacking energy: -630.861 Base-Backbone interact. energy: 0.316 local terms energy: -641.700431 where: bonds (distance) C4'-P energy: -98.318 bonds (distance) P-C4' energy: -139.377 flat angles C4'-P-C4' energy: -147.699 flat angles P-C4'-P energy: -93.309 tors. eta vs tors. theta energy: -162.998 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: 413 Temperature: 1.300000 Total energy: -2017.809477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.809477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.809477 (E_RNA) where: Base-Base interactions energy: -1392.685 where: short stacking energy: -572.650 Base-Backbone interact. energy: -0.054 local terms energy: -625.070481 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -134.062 flat angles C4'-P-C4' energy: -153.783 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -137.874 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1318.298673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.298673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.298673 (E_RNA) where: Base-Base interactions energy: -834.602 where: short stacking energy: -393.820 Base-Backbone interact. energy: 2.206 local terms energy: -485.902611 where: bonds (distance) C4'-P energy: -132.200 bonds (distance) P-C4' energy: -109.616 flat angles C4'-P-C4' energy: -124.038 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: -56.539 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: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3049.651658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.651658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.651658 (E_RNA) where: Base-Base interactions energy: -2163.456 where: short stacking energy: -922.418 Base-Backbone interact. energy: -2.447 local terms energy: -883.749053 where: bonds (distance) C4'-P energy: -165.549 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -191.525 flat angles P-C4'-P energy: -130.428 tors. eta vs tors. theta energy: -240.673 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: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2983.343205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.343205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.343205 (E_RNA) where: Base-Base interactions energy: -2119.173 where: short stacking energy: -908.171 Base-Backbone interact. energy: -1.038 local terms energy: -863.132427 where: bonds (distance) C4'-P energy: -161.781 bonds (distance) P-C4' energy: -141.511 flat angles C4'-P-C4' energy: -187.978 flat angles P-C4'-P energy: -121.999 tors. eta vs tors. theta energy: -249.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2842.814617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.814617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.814617 (E_RNA) where: Base-Base interactions energy: -2014.815 where: short stacking energy: -856.219 Base-Backbone interact. energy: -3.371 local terms energy: -824.628018 where: bonds (distance) C4'-P energy: -142.053 bonds (distance) P-C4' energy: -159.425 flat angles C4'-P-C4' energy: -182.870 flat angles P-C4'-P energy: -125.708 tors. eta vs tors. theta energy: -214.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2789.102054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.102054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.102054 (E_RNA) where: Base-Base interactions energy: -1976.681 where: short stacking energy: -806.561 Base-Backbone interact. energy: -5.544 local terms energy: -806.877445 where: bonds (distance) C4'-P energy: -157.635 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -183.836 flat angles P-C4'-P energy: -100.716 tors. eta vs tors. theta energy: -216.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2597.867077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.867077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.867077 (E_RNA) where: Base-Base interactions energy: -1805.958 where: short stacking energy: -793.352 Base-Backbone interact. energy: -3.349 local terms energy: -788.560359 where: bonds (distance) C4'-P energy: -136.081 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -176.716 flat angles P-C4'-P energy: -113.616 tors. eta vs tors. theta energy: -222.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2495.246477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.246477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.246477 (E_RNA) where: Base-Base interactions energy: -1785.024 where: short stacking energy: -763.935 Base-Backbone interact. energy: -1.932 local terms energy: -708.289959 where: bonds (distance) C4'-P energy: -123.294 bonds (distance) P-C4' energy: -113.646 flat angles C4'-P-C4' energy: -163.621 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -200.977 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2346.200084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.200084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.200084 (E_RNA) where: Base-Base interactions energy: -1655.872 where: short stacking energy: -679.274 Base-Backbone interact. energy: -3.882 local terms energy: -686.446299 where: bonds (distance) C4'-P energy: -112.741 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -159.089 flat angles P-C4'-P energy: -120.249 tors. eta vs tors. theta energy: -162.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2210.754046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.754046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.754046 (E_RNA) where: Base-Base interactions energy: -1557.010 where: short stacking energy: -663.869 Base-Backbone interact. energy: -2.948 local terms energy: -650.795465 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -136.321 flat angles C4'-P-C4' energy: -158.567 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: -160.419 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: 414 Temperature: 1.300000 Total energy: -2026.002135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.002135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.002135 (E_RNA) where: Base-Base interactions energy: -1429.223 where: short stacking energy: -615.442 Base-Backbone interact. energy: -0.658 local terms energy: -596.121589 where: bonds (distance) C4'-P energy: -119.970 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -138.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1336.915555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.915555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.915555 (E_RNA) where: Base-Base interactions energy: -840.359 where: short stacking energy: -413.619 Base-Backbone interact. energy: 2.950 local terms energy: -499.506533 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -114.973 flat angles C4'-P-C4' energy: -129.523 flat angles P-C4'-P energy: -82.305 tors. eta vs tors. theta energy: -78.677 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)